The representation of aerosols in climate-chemistry models is important for air quality and climate change research, but it can require significant computational resources. To overcome this, simpler modules such as modal aerosol modules with three lognormal modes (MAM3) can be used. In this study, the coupling of the Carbon Bond Mechanism, version Z (CBMZ), and MAM3 chemistry modules in WRF-CAM5 was improved by adding biomass-burning emissions to both gas- and particle-phase chemistry and incorporating a conversion mechanism between volatile organic compounds (VOCs) and secondary organic carbons (SOCs). The study conducted six simulations over the western U.S. and northeastern Pacific region and compared the model’s performance with observational benchmarks such as reanalysis, ground-based, and satellite data. The results showed that the model with enhanced chemistry capabilities had a 31% and 58% reduction in root-mean-square errors (RMSE) for black carbon (BC) and organic carbon (OC) surface concentrations, respectively. The earlier release of the WRF-CAM5 version had two deficiencies that were addressed in this study. This research highlights the importance of accurate aerosol representation in climate-chemistry models for improving accuracy and reducing errors in simulations.

Several chemistry-climate models (CCM) underestimate the total column ozone (TCO) over the polar region in the Southern Hemisphere during wintertime. To evaluate potential causes of the problem, we exploit CCM SOCOLv3 to study the TCO over Antarctica sensitivity to the: (1) photo-dissociation rates of ozone for large solar zenith angles; (2) rates of the stratospheric heterogeneous reactions, and (3) intensity of the meridional flux into the polar regions due to sub-grid scale mixing processes in the model. Comparisons of the model results with the satellite-based IASI (Infrared Atmospheric Sounder Interferometer) sensor measurements showed that the most important processes for the improvement of the polar ozone simulation results are photolysis and horizontal mixing. The reasonable tuning of these factors has allowed us to improve the model representation of the ozone annual cycle over the southern polar region. The proposed increase of the horizontal mixing can be recommended for the CCMs with relatively low horizontal resolution.

The goal of Man and the Biosphere (MAB) Programme is to support sustainable development through effective management, innovative technologies, policy suggestion and governance. Today, the concept of Biosphere Reserves plays an important role in scientific investigations, generating knowledge, and experiences to link socio-economic development and biodiversity conservation for human well-being. This research, through an independent study which takes place in the Hungarian Biosphere Reserves of Pilis and Kiskunság aims at identifying practical sustainable business models which are suitable for supporting livelihood of locals. In this research, the two Biosphere Reserves serve as the learning sites under the light of global principles and state-of-the-art-of knowledge on sustainable development and sustainable business models. To do so, the state-of-the-art-of sustainable business model has been investigated through a comprehensive academic research. The lessons that learned from this investigation are used to support the data gathering method and planning the field trips to identify the sustainable business models currently in use at the Biosphere Reserves. This research particularly had been interested in small-sized sustainable business models practiced by small communities or families in various zones of Biosphere Reserves. First set of interviews and questionnaires designed to identify the business models in practice. The results identify foraging the wild plants in the buffer zone and transition areas as a potential sustainable business model in practice. Further interviews and surveys were conducted with foragers shows the beneficial of their practice on the local ecosystem and in increasing awareness on the deep connection with the ecosystems. The sustainable business model of foraging in addition to providing a sustainable livelihood for the locals maintains a spiritual connection between people and land. The identified sustainable business model can further be educational and practical for other 685 biosphere reserves.

Cyrene was evaluated for the first time as a potential sustainable mobile phase solvent in re-versed-phase chromatography. As a benign biodegradable solvent, Cyrene is an attractive re-placement to classical non-green organic chromatographic solvents such as acetonitrile and a modifier, co-eluent to known green solvents such as ethanol. Compared to ethanol, Cyrene is less toxic, non-flammable, bio-based, biodegradable and cheaper solvent. A fire safety spider Chart was generated to compare the properties of Cyrene to ethanol and show its superiority as a greener solvent. Cyrene's behaviour, advantages, and drawbacks in reversed-phase chromatography, including cut-off value, elution power, selectivity, and effect on the column, were investigated using a model drug mixture of moxifloxacin and metronidazole. A monolithic C18 (10 x 4.6 mm) column was used as a stationary phase. Different ratios of Cyrene: ethanol with an aqueous portion of sodium acetate buffer mobile phases were tested. A mobile phase consisting of Cyrene: ethanol: 0.1 M sodium acetate buffer pH 4.25 (8:13:79, v/v) was selected as most suitable mobile phase system for separating and simultaneously determining metronidazole and moxifloxacin. The greenness and whiteness of the method were evaluated using the qualitative green assessment tool AGREE and the white analytical chemistry assessment tool RGB12. Further potentials of Cyrene as a solvent or modifier in normal phase chromatography, liquid chromatography-mass spectrometry, and supercritical fluid chromatography are discussed.

During the past two decades of e-commerce growth, the concept of a business model has become increasingly popular. More recently, the research on this realm has grown rapidly, with diverse research activity covering a wide range of application areas. Considering the sustainable development goals, the innovative business models have brought a competitive advantage to improve the sustainability performance of organizations. The concept of the sustainable business model describes the rationale of how an organization creates, delivers, and captures value, in economic, social, cultural, or other contexts, in a sustainable way. The process of sustainable business model construction forms an innovative part of a business strategy. Different industries and businesses have utilized sustainable business models’ concept to satisfy their economic, environmental, and social goals simultaneously. However, the success, popularity, and progress of sustainable business models in different application domains are not clear. To explore this issue, this research provides a comprehensive review of sustainable business models literature in various application areas. Notable sustainable business models are identified and further classified in fourteen unique categories, and in every category, the progress -either failure or success- has been reviewed, and the research gaps are discussed. Taxonomy of the applications includes innovation, management and marketing, entrepreneurship, energy, fashion, healthcare, agri-food, supply chain management, circular economy, developing countries, engineering, construction and real estate, mobility and transportation, and hospitality. The key contribution of this study is that it provides an insight into the state of the art of sustainable business models in various application areas and future research directions. This paper concludes that popularity and the success rate of sustainable business models in all application domains have been increased along with the increasing use of advanced technologies.

Drainage systems are usually dimensioned for design storms based on intensity-duration-frequency (IDF) curves of extreme precipitation. For each location, different IDF curves are established based on local hydrological conditions. Recent research shows that these curves also vary with time, and should be updated with recent data. The purpose of this study is to evaluate IDF curves obtained from precipitation simulations from the Eta RCM, comparing them with IDF curves obtained from data of a rainfall station. Climate models can be a useful tool for assessing the impacts of climate changes on drainage systems, referring precipitation forecasts. In this study, the Eta RCM was forced by two global climate models: HadGEM2-ES and MIROC5. The bias of the precipitation data, generated by RCM models, was corrected using a Gamma distribution. The Juqueriquerê River Basin, in the cities of Caraguatatuba and São Sebastião, São Paulo State, Brazil, was chosen as a case study. The results show a good correlation between the IDF curves of simulated and observed rainfall for the control period (1960-2005), indicating the strong possibility of using the Eta RCM precipitation forecasts for 2007 - 2099 to establish future IDFs thereby, taking into account climate changes in urban drainage design.

Gestational diabetes mellitus (GDM) is a hyperglycemia state that is typically diagnosed by an oral glucose tolerance test (OGTT), which is unpleasant, time-consuming, poorly reproducible, and tardy. The machine learning (ML) predictive models that have been proposed to improve GDM diagnosis are usually based on instrumental methods that take hours to get a result. Near-infrared (NIR) spectroscopy, a simple, fast and low-cost analytical technique has never been assessed for the prediction of GDM. This study aims to develop ML predictive models for GDM based on NIR spectroscopy, and to evaluate their potential as early detection or alternative screening tools according to their predictive power and time of analysis. Serum samples from the first (before GDM diagnosis) and the second (at the time of GDM diagnosis) trimester of pregnancy were analyzed by NIR spectroscopy. Four spectral ranges were considered, and 80 pretreatments were tested for each. NIR data-based models were built with single- and multi-block ML techniques. Every model was subjected to double cross-validation. The best first and second trimester models got areas under the receiver operating characteristic curve of 0.5768 ± 0.0635 and 0.8836 ± 0.0259, respectively. This is the first study reporting NIR spectroscopy-based methods for the prediction of GDM. The developed methods allow to predict GDM from 10 µL of serum in only 32 minutes. They are simple and fast, and have a great potential to be applied in clinical practice, especially as alternative screening tools to the OGTT at the time of GDM diagnosis.

Arctic ozone amount in winter to spring shows large year-to-year variation. This study investigates Arctic spring ozone in relation to the phase of quasi-biennial oscillation (QBO)/the 11-year solar cycle, using satellite observations, reanalysis data, and outputs of a chemistry climate model (CCM) during the period of 1979–2011. For this duration, we found that the composite mean of the Northern Hemisphere high-latitude total ozone in the QBO-westerly (QBO-W)/solar minimum (Smin) phase is slightly smaller than those averaged for the QBO-W/Smax and QBO-E/Smax years in March. An analysis of a passive ozone tracer in the CCM simulation indicates that this negative anomaly is primarily caused by transport. The negative anomaly is consistent with a weakening of the residual mean downward motion in the polar lower stratosphere. The contribution of chemical processes estimated using the column amount difference between ozone and the passive ozone tracer is between 10–20% of the total anomaly in March. The lower ozone levels in the Arctic spring during the QBO-W/Smin years are associated with a stronger Arctic polar vortex from late winter to early spring, which is linked to the reduced occurrence of sudden stratospheric warming in the winter during the QBO-W/Smin years.

The Earth's fresh water resources predominantly is groundwater that is pumped out due to rapid urbanization and aggravated by climate change. Groundwater modeling is a crucial tool for understanding aquifer systems, employing 1D, 2D, and 3D numerical models with distinct applications. One-dimensional models focus on vertical dynamics, examining aquifer properties and simulating vertical contaminant transport. Two-dimensional models extend to regional scales, considering horizontal variations and assessing groundwater-surface water interactions, making them valuable for watershed-scale studies. Three-dimensional models provide a comprehensive representation of hydrogeological systems, capturing intricate flow patterns and aiding site-specific assessments. Comparative analysis reveals model strengths and limitations, emphasizing the importance of calibration for reliable results. Case studies showcase practical applications, such as 1D models in flooding analysis and 2D models for simulating debris flows. Three-dimensional modeling proves essential for understanding complex river-aquifer exchange fluxes. Future directions call for a global groundwater platform to address data variability and technical challenges. Despite substantial investments required, the anticipated returns in scientific advancements, societal benefits, and economic gains are expected to outweigh the initial costs. This review aims in highlighting the significance of advancing all three-dimension groundwater modeling for sustainable water resource management and environmental protection.

This study focusses on identifying a set of representative future climate projections for the Upper Indus Basin (UIB). Although a large number of GCM’s predictor sets are nowadays available in the CMIP5 archive, the issue of their reliability for specific regions must still be confronted. This situation makes it imperative to sort out the most appropriate, single or small-ensemble set of GCMs for the assessment of climate change impacts in a region. Here a set of different approaches is adopted and applied for a step-wise shortlist and selection of appropriate climate models for the UIB under two RCPs: RCP 4.5 and RCP 8.5, based on, a) range of projected mean changes, b) range of projected extreme changes, and c) skill in reproducing the past climate. Furthermore, because of higher uncertainties in climate projection for high mountainous regions like the UIB, a wider range of future GCM climate projections is considered by using all possible future extreme scenarios (wet-warm, wet-cold, dry-warm, dry-cold). Based on this two-fold procedure, a limited number of climate models is pre-selected, out of which the final selection is done by assigning ranks to the weighted score for each of the mentioned selection criteria. The dynamically downscaled climate projections from the Coordinated Regional Downscaling Experiment (CORDEX) available for the top-ranked GCMs are further statistically downscaled (bias-corrected) over the UIB. The downscaled projections up to year 2100 indicate temperature increases ranging between 2.3 °C and 9.0 °C and precipitation changes that range, from a slight annual increase of 2.2% under the drier scenarios, to as high as 15.9% for the wet scenarios. Moreover, for all scenarios, the future precipitation will be more extreme, as the probability of wet days will decrease, while, at the same time, the precipitation intensities will increase. The spatial distribution of the downscaled predictors across the UIB also shows similar patterns for all scenarios, with a distinct precipitation decrease over the south-eastern parts of the basin, but an increase in the northeastern parts. These two features are particularly intense for the “Dry-Warm” and the “Median” scenarios over the late 21st century.

The Greenland ice sheet is a major contributor to sea level rise, adding an estimated 0.47 +/− 0.23 mm/yr to global mean sea level between 1991 and 2015 (van den Broeke et al., 2016). Making sea level rise projections for the future and understanding the processes controlling current observed rates of sea level rise are crucially dependent on understanding the present-day state of the ice sheet. Here, we provide an overview of the current state of the mass budget of Greenland based on satellite gravimetry and remote sensing observations of surface elevation change, ice sheet velocity and calving front positions. We also combine these essential climate variables with a regional climate model (RCM) output from an ice sheet model (ISM) to gain insight into poorly understood ice sheet dynamical and surface mass processes. On average from 1992 to 2017 the ice sheet in some locations has lost up −2.65 m/yr in elevation based on ESA Radar altimetry analysis. Calving fronts have retreated all around Greenland since the 1990s and in only two out of 28 study locations have they remained stable. The locations of grounding lines at 5 key glaciers with floating ice tongues have remained stable over the observation period. However a detailed case study at Petermann glacier with an ice fracture model shows the sensitivity of these floating ice shelves to future climate change. GRACE gravimetric mass balance (GMB) data allows us to tie together disparate lines of evidence showing that Greenland has lost about 265 +/− 25 Gt/yr of ice over the period 2002 to 2015. RCM and ISM simulations show that surface mass processes dominate the overall Greenland ice sheet mass budget except for areas of fast ice sheet flow but marked differences between models and between models and observations indicate that not all processes are captured accurately, indicating areas of greater uncertainty and directions of future research for future sea level rise projections.

This review considers the generation of relatively simple biomolecules, e.g., primary amino acids, resulting from the rapid collapse of bubbles in aqueous solutions containing various, low molar mass, gases. Some of the possible primary reactions occurring to produce the biomolecules are introduced and discussed. A brief discussion is included on the possible involvement of hydrodynamic cavitation, at the primordial seashore, as the initiating processes for the formation of the first organic molecules on prebiotic earth and the origins of life on Earth some 4 billion years ago.

Climate change is a threat to mining and other industries, especially those involving water supply and management by inducing or amplifying some climatic parameters such as changes in precipitation regimes and temperature extremes. Using the latest NASA NEX-GDDP-CMIP6 datasets, this study quantifies the level of climate change that may affect the development of two mine sites (Site1 and Site2) in northeast Kazakhstan. The study analyses the daily precipitation and maximum and minimum temperature a of a number of global circulation models (GCM) over three future time periods, 2040s, 2060s and 2080s, under two shared socioeconomic pathway (SSP) scenarios, SSP245 and SSP585, against the baseline period 1981- 2014. The analyses revealed that: (1) Both maximum and minimum temperature will increase under both SSP in those time periods, with the rate of change for minimum temperature being higher than maximum temperature. (2) The mean annual precipitation will increase by an average rate of 7% and 10.5% in 2040s for SSP245 and 17.5% and 7.5% for SSP585 in 2080s at Site1 and Site2, respectively. It is also observed that summer months will experience drier condition whilst all other months will increase in precipitation. (3) The values of 24-hour precipitation with 10-year return period will also increase under both SSP scenarios and future time periods for most of the studied GCM and at both mine sites. These predicted changes should be considered as design criteria adjustments for project water supply and water management structures.

Fostering fruitful collaboration between chemistry and physics scholars, the analysis of the differences in the practical approach to single atoms in chemistry and in physics affords a number of conceptual outcomes pointing to a more balanced relationship between chemistry and physics.

Earth-abundant transition metals like iron, nickel, copper, molybdenum, and vanadium have been identified as essential constituents of the cellular gas metabolism in all kingdoms of life. Associated with biological macromolecules, gas-processing metalloenzymes (GPMs) are formed that catalyse a variety of redox reactions. This includes the reduction of O₂ to water by cytochrome c oxidase (‘complex IV’), the reduction of N₂ to NH₄ by nitrogenase, as well as the reduction of protons to H₂ (and oxidation of the later) by hydrogenase. GPMs perform at ambient temperature and pressure, in the presence of water, and often extremely low educt concentrations, thus serving as natural examples for efficient catalysis. Facilitating the design of biomimetic catalysts, biophysicist thrive to understand the reaction principles of GPMs making use of various techniques. In this perspective, I will introduce Fourier-transform infrared spectroscopy in attenuated total reflection configuration (ATR FTIR) for the analysis of GPMs like cytochrome c oxidase, nitrogenase, and hydrogenase. Infrared spectroscopy provides information about the geometry and redox state of the catalytic cofactors, the protonation state of amino acid residues, the hydrogen-bonding network, and protein structural changes. I developed an approach to probe and trigger the reaction of GPMs by gas exchange experiments, exploring the reactivity of these enzymes with their natural reactants. This allows recording sensitive ATR FTIR difference spectra with seconds time resolution. Finally yet importantly, infrared spectroscopy is an electronically non-invasive technique that allows investigating protein samples under biologically relevant conditions, i.e., at ambient temperature and pressure, and in the presence of water.

This study examines the improvement in coupled intercomparison project phase six (CMIP6) models against the predecessor CMIP5 in simulating mean and extreme precipitation over the East Africa region. The study compares the climatology of the precipitation indices simulated by the CMIP models with the CHIRPS dataset using robust statistical techniques for 1981 – 2005. The results display the varying performance of the general circulation models (GCMs) in the simulation of annual and seasonal precipitation climatology over the study domain. CMIP6-MME shows improved performance in the local annual mean cycle simulation with a better representation of two peaks, especially the MAM rainfall relative to its predecessor. Moreover, simulation of extreme indices is well captured in CMIP6 models relative to its predecessor. The CMIP6-MME performed better than the CMIP5-MME with lesser biases in simulating SDII, CDD, and R20mm over East Africa. Remarkably, most CMIP6 models are unable to simulate extremely wet days (R95p). A few CMIP6 models (e.g., NorESM2-MM and CNRM-CM6-1) depicts robust performance in reproducing the observed indices across all analyses. Conversely, OND season shows the overestimation of some indices (i.e., R95p, PRCPTOT), except for SDII, CDD, and R20mm. Consistent with other studies, the mean ensemble performance for both CMIP5/6 shows better performance due to the cancellation of some systematic errors in the individual models. Generally, the CMIP6 depicts improved performance in the simulation of MAM season akin CMIP5 models. However, the new model generation is still marred with uncertainty, thereby depicting substandard performance over the East Africa domain. This calls for further investigation of attribution studies into the sources of persistent systematic biases and a prerequisite for identifying individual models with robust features that can accurately simulate observed patterns for future usage.

Accurate assessment and projections of extreme climate events requires the use of climate datasets with no or minimal error. This study uses quantile mapping bias correction (QMBC) method to correct the bias of five Regional Climate Models (RCMs) from the latest output of Rossby Climate Model Center (RCA4) over Kenya, East Africa. The outputs were validated using various scalar metrics such as Root Mean Square Difference (RMSD), Mean Absolute Error (MAE) and mean Bias. The study found that the QMBC algorithm demonstrate varying performance among the models in the study domain. The results show that most of the models exhibit significant improvement after corrections at seasonal and annual timescales. Specifically, the European community Earth-System (EC-EARTH) and Commonwealth Scientific and Industrial Research Organization (CSIRO) models depict exemplary improvement as compared to other models. On the contrary, the Institute Pierre Simon Laplace Model CM5A-MR (IPSL-CM5A-MR) model show little improvement across various timescales (i.e. March-April-May (MAM) and October-November-December (OND)). The projections forced with bias corrected historical simulations tallied observed values demonstrate satisfactory simulations as compared to the uncorrected RCMs output models. This study has demonstrated that using QMBC on outputs from RCA4 is an important intermediate step to improve climate data prior to performing any regional impact analysis. The corrected models can be used for projections of drought and flood extreme events over the study area. This study analysis is crucial from the sustainable planning for adaptation and mitigation of climate change and disaster risk reduction perspective.

In the context of global warming and reduction in fresh water availability is presented a study of the evolution of dew, rain and evapotranspiration in the NW of Africa. The time periods are concerned with the years 2005-2020, using existing data, and years 2020-2100, using the low and high emissions representative concentration pathway scenarios RCP 2.6/8.5 from the Cordex database. A continuous decrease in rain precipitation is observed, on order of -14 mm/decade for the more credible scenario RCP 8.5. The amplitude is maximum on the coast and on the foothills of Atlas. A clear decrease in dew yields is also observed along a NW/SE axis, strongly correlated with a corresponding decrease in relative humidity (up to 7%). Chemical dew and rain data in the representative site of Mirleft correspond to the major cations Na+ > Ca2+ > Mg2+ > K+, similar to a local spring water. Concentrations in rain are about two times less than in dew water. Ionic concentrations are compatible with WHO standards. The seasonal variations of the ionic concentrations in dew and rain follow a volume dilution dependence. The expected diminution in dew and rain volumes according to the RCPs 2.6 and 8.5 should increase the dew and rain ionic concentrations in the future.

Despite ample warning and significant lead time, global society has not acted sufficiently to combat climate change, and global carbon dioxide emissions are now about 60% higher today than in 1990 [1]. This paper uses marine fisheries as an analog model to compare with the many similar management issues faced with global climate change. Both marine fisheries and global climate change are complex systems that have similar properties that make management very difficult. A simple fishery prototype model is used to educate citizens about similar issues of dynamic complexity found in climate change models. We highlight how our slow reaction time to global climate change can be thought of as a mismatch between our cognitive abilities and the nature of global collective problems. Understanding the history and system structure of marine fisheries can provide insight into managing global climate change. We suggest ways to improve communication between science and citizens for updating mental models and changing climate policy.

Spatial pattern-oriented evaluations of distributed hydrological models have contributed towards an improved realism of hydrological simulations. This advancement was supported by the broad range of readily available satellite-based datasets of key hydrological variables, such as evapotranspiration (ET). At larger scale, spatial patterns of ET are often characterized by an underlying climate gradient, and with this study, we argue that gradient dominated patterns may hamper the potential of spatial pattern-oriented evaluation frameworks. We hypothesize that the climate control of spatial patterns of ET overshadows the effect model parameters have on the simulated variability. To solve this limitation, we propose a climate normalization strategy. This is demonstrated for the Senegal River basin as modeling case study, where the dominant north-south precipitation gradient is the main driver of the observed hydrological variability. Two multi-objective calibration experiments investigate the effect of climate normalization. Both calibrations utilize observed discharge (Q) in combination with remote sensing ET data, where one is based on the original ET pattern and the other utilizes the normalized ET pattern. We identify parameter sets that balance the tradeoffs between the two independent observations and find that the calibration using the normalized ET pattern does not compromise the spatial patern performance of the original pattern. However, vice versa, this is not necessarily the case, since the calibration using the original ET pattern showed a poorer performance for the normalized pattern. Both calibrations reached comparable performance of Q. With this study, we identified a general shortcoming of spatial pattern-oriented model evaluations using ET in basins dominated by a climate gradient, but we argue that this also applies to other variables such as, soil moisture or land surface temperature.

The greater U.S. Midwest is on the leading edge of tick and tick-borne disease (TBD) expansion, with tick and TBD encroachment into Illinois occurring from both the northern and the southern regions. To assess historical and future habitat suitability of four ticks of medical concern within the state, we fit individual and mean-weighted ensemble species distribution models for Ixodes scapularis, Amblyomma americanum, Dermacentor variabilis, and a newly invading species, Amblyomma maculatum using a variety of landscape and mean climate variables for the periods of 1970-2000, 2041-2060, and 2061-2080. Ensemble model projections for the historical climate were consistent with known distributions of each species but predicted the habitat suitability of A. maculatum to be much greater throughout Illinois than what known distributions demonstrate. Presence of forest and wetlands were the most important landcover classes predicting occurrence of all tick species. As the climate warmed, the expected distribution of all species became strongly responsive to precipitation and temperature variables, particularly precipitation of the warmest quarter and mean diurnal range, as well as proximity to forest cover and water sources. The suitable habitat all species was predicted to shrink in the 2050 climate scenario, and then increase more broadly statewide in the 2070 scenario, but at reduced likelihoods. Predicting where ticks may invade and concentrate as the climate changes will be important to anticipate, prevent, and treat TBD in Illinois.

Multicomponent reactions (MCRs) have been used for more than a century; since their discovery in 1850 by Strecker. To date, MCRs route is regarded as a beneficial strategy due to its capacity to quickly produce molecular diversity and structural complexity of interest for a variety of applications. Despite having famous MRCs such as the Ugi, Passerini, Biginelli, and Hantzsch, this re-view portrays the importance of MCRs in the synthesis of desired products towards applications such as medicinal purposes, sustainable chemistry, and polymerisation. MCRs provide ad-vantages such as reducing the number of sequential multiple reactions to one step, atom economy, recyclable catalysts, mild conditions, preventing waste and reduce solvent use.

Due to metal leaching and poor catalyst stability, the chemical industry’s fine chemical and pharmaceutical sectors have been historically reluctant to use supported transition metal catalysts to manufacture fine chemicals and active pharmaceutical ingredients. With the advent of new generation supported metal catalysts and flow chemistry, we argue in this study, this situation is poised to quickly change. Alongside heterogenized metal nanoparticles, both single-site molecular and single-atom catalyst will become ubiquitous. This study offers a critical outlook taking into account both technical and economic aspects.

Reactions in water between the Cu2(µ-EGTA) chelate (EGTA = ethylene-bis(oxyethyleneimino)tetraacetate(4-) ion) and 2,6-diaminopurine (Hdap) in molar ratios 1:1 and 1:2 yield only blue crystals of the ternary compound [Cu4(μ-EGTA)2(μ-H(N3)dap)2(H2O)2]·7H2O (1) that has been studied by single crystal X-ray diffractometry, various physical methods (thermal stability, spectral and magnetic properties), as well as DFT theoretical calculations. In the crystal, uncoordinated water is disordered. The tetranuclear complex molecule also has some irrelevant disorder in an EGTA-ethylene moiety. In the complex molecule, both bridging organic molecules act as binucleating ligands. There are two distorted five- (type 4+1) and two six- (type 4+1+1) Cu(II) centres. Each half EGTA acts as a tripodal tetradentate Cu(II) chelator, with mer-NO2+O(ether, distal) conformation. Hdap exhibits the tautomer H(N3)dap, with the dissociable H-atom on its less basic N-heterocyclic atom. These features favour the efficient cooperation between Cu-N7 or Cu-N9 bonds with appropriate O-EGTA atoms, as N6-H···O or N3-H···O interligand interactions respectively. Bridging role of both organics determines the tetranuclear dimensionality of the complex in 1. In this crystal, such molecules associate in zig-zag chains, built by alternating ,-interactions between the five- or six-atom rings of Hdap ligands of adjacent molecules. DFT theoretical calculations (using two different theoretical models and characterized by the quantum theory of “atoms in molecules”) reveal the importance of these ,-interactions between Hdap ligands, as well as that corresponding to the referred hydrogen bonds in the contributed tetranuclear molecule.

The Earth's water resources, totaling 1.386 billion cubic kilometers, predominantly consist of saltwater in oceans. Groundwater, plays a pivotal role, with 99% of usable freshwater supporting 1.5–3 billion people as drinking water source and 60–70% for irrigation. Climate change, with temperature increase and altered precipitation patterns, directly impacts groundwater systems, affecting recharge, discharge, and temperature. Hydrological models are crucial for assessing climate change effects on groundwater, aiding in management decisions. Advanced hydrological models, incorporating data assimilation and improved process representation, contribute to understanding complex systems. Recent studies, employ numerical models to assess climate change impacts on groundwater recharge that could help in management of Groundwater. Groundwater vulnerability assessments vary with the spatial and temporal considerations, as well as assumptions in modelling groundwater susceptibility. The review assesses the vulnerability of groundwater to climate change and stresses the importance of accurate assessments for sustainable water resource management. It highlights challenges in assumptions related to soil and aquifer properties, multiple stressors, adaptive capacity, topography, aquifer properties, and groundwater contamination processes and gradual sea level rise scenarios and realistic representations of the region of study. The advancements in hydrological modelling, including the integration of uncertainty quantification and remote sensing data, artificial intelligence, could assist in the efforts to improve models for assessing the impacts of climate change on hydrological.

Biodiversity conservation questions human practices towards biodiversity and, therefore, largely conflicts with ordinary societal aspirations. Decisions on the location of protected areas, one of the most convincing conservation tools, reflect such a competitive endeavor. Operations Research (OR) brings a set of analytical models and tools capable of resolving the conflicting interests between ecology and economy. Recent technological advances have boosted the size and variety of data available to planners, thus challenging conventional approaches bounded on optimized solutions. New models and methods are requested to use such a massive amount of data in integrative schemes addressing a large variety of concerns. Here, we provide an overview on the past, present and future challenges that characterize spatial conservation models supported by OR. By enlarging the spatial, temporal, taxonomic and societal horizons of biodiversity conservation planners navigate around multiple bio-socioeconomic equilibria and are able to decide on cost-effective strategies to improve biodiversity persistence.

We develop the process of discounting when underlying rates follow a jump-diffusion process, that is, when, in addition of diffusive behavior, rates suffer a series of finite discontinuities located at random Poissonian times. Jump amplitudes are also random and governed by an arbitrary density. Such a model may describe the economic evolution specially when extreme situations occur (pandemics, global wars, etc.). When between jumps the dynamical evolution is governed by an Ornstein-Uhlenbeck diffusion process, we obtain exact and explicit expressions for the discount function and the long-run discount rate and show that the presence of discontinuities may drastically reduce the discount rate, a fact that has significant consequences for environmental planning. We also discuss as a specific example the case when rates are described by the continous time random walk.

Removing one key barrier to the industrial uptake of green chemistry and nanocatalysis in the fine and specialty chemical industry requires to fill an ongoing “talent shortage” via expanded chemistry education. In this study we show how the use of hybrid sol-gel catalysts to synthesize fine chemicals and active pharmaceutical ingredients in flow chemistry reactors illustrates new ideas to reshape chemistry education based on recent research outcomes, visualization and digital tools. Several lessons learned from the industrial and academic utilization of these materials in continuous-flow conversions conclude the study.

The escalating concerns over climate change have propelled industries worldwide to seek innovative strategies for mitigating greenhouse gas emissions. Within the energy sector, Carbon Capture and Storage (CCS) technology emerges as a promising solution to curtail emissions and foster sustainable development aims for net zero approach. The research delves into the role of government support in expediting CCS adoption for the maximum potential of 9.79 MtCO2 storage from six major refinery plants. The refineries mentioned above are anticipated to necessitate an initial capital investment of approximately 18,307 million THB. This research focuses on potential business model proposals appropriate for a country's context, specifically applying CCS technology to Thai oil refining sector. To achieve the realization of CCS within the context of this study, a combination of three essential measures will be required: tax incentives, carbon credits, and grants. This process will commence with the implementation of tax incentives, followed by an increase in the carbon price within the country. Finally, the establishment of a dedicated fund, funded through deductions from oil excise tax revenue, will play a pivotal role in facilitating the necessary financial support for the emergence of CCS.

Modern engineering faces challenges in ensuring technical standards for service, durability, and sustainability. Political, administrative, and budgetary factors, coupled with climate change, pose tasks to structural integrity, affecting industries and economies. Marine infrastructures represent a strategic asset of the country as it handles a large part of the economic exchanges. This article analyzes five essential factors that play a fundamental role in the performance analysis of coastal structures: Chloride-induced corrosion, degradation models, maintenance strategies, monitoring, and climate change. Starting with reinforcement corrosion, considered as the main cause of distress, particularly in coastal zones for the long-term behavior of structures. Additional pressure from the influences of climate change is becoming evident and extreme, leading to reduction in capacity. To guarantee the lifespan, degradation models contribute by estimating the long-term performance of the asset as a strategic piece to the development of effective maintenance solutions. Additionally, quantifying the condition of the structure from monitoring data, plays a crucial part that provides information on the current situation of the structure. Finally, this review summarizes the challenges associated with the maintenance of aging marine structures considering aspects such as corrosion, monitoring, and the future challenges this area will face due to climate change.

Asphalt pavement temperature has several applications, including pavement structural design and evaluation, asphalt mixture design, asphalt binder grade determination and material aging characterization. However, available asphalt pavement temperature prediction models were mostly developed for temperate climatic conditions, outside of the tropics. Before such models are adopted for use in a tropical climate, their applicability must be evaluated. This study evaluated five empirical asphalt pavement temperature prediction models developed by Lukanen et al. [1], Park et al. [2], Diefenderfer et al. [3], Taamneh [4] all in the United States and Asefzadeh et al. [5] in Canada to ascertain their prediction accuracy in tropical climate, using Ghana as a case study. In-situ asphalt pavement temperature data were measured at two sites for eight months: Kumasi and Tamale in the Forest and Savannah climatic zones, respectively. The measured pavement temperature data were statistically compared with predicted temperatures, and it was found that the Park et al. [2] model provided a more accurate pavement temperature prediction in both climatic zones. The other models either over-predicted or under-predicted asphalt pavement temperature with significant error margins. However, there is a need to improve the prediction accuracy of the Park et al. [2] model or a local model developed.

A hand-held laser-induced breakdown spectroscopy device was used to acquire spectral emission data from laser-induced plasmas created on the surface of cerium-gallium alloy samples with Ga concentrations ranging from 0 to 3 weight percent. Ionic and neutral emission lines of the two constituent elements were then extracted and used to generate calibration curves relating the emission line intensity ratios to the gallium concentration of the alloy. The Ga I 287.4 nm emission line was determined to be superior for the purposes of Ga detection and concentration determination.A limit of detection below 0.25% was achieved using a multivariate regression model of the Ga I287.4 nm line ratio versus two separate Ce II emission lines. This LOD is considered a conservative estimation of technique’s capability given the type of the calibration samples available and low power( 5 mJ per 1 ns pulse) and resolving power (λ/∆λ= 4000) of this handheld device. Nonetheless, the utility of the technique is demonstrated via a detailed mapping analysis of the surface Ga distribution of a Ce-Ga sample which reveals significant heterogeneity resulting from the sample production process.

Human-Computer Interaction, including technology-aided instruction, is beginning to focus on virtual reality (VR) technology due to its ability to support immersive learning, teaching through simulation, and gamification of learning. These systems can deliver high-level multisensory learning experiences that are important in the teaching of many subjects, especially those involving abstract concepts or requiring spatial skills, such as organic chemistry. Haptic experiences with VR, however, remain a challenge. In addition, development have focused on general entertainment/gaming; VR systems in chemistry implement simulations of the chemistry laboratory and other advanced systems whereas those that support safe, game-like, immersive and multisensory learning of organic chemistry with haptics at pre-university education levels are scarce. We developed the VR Multisensory Classroom (VRMC) as an immersive learning environment within a VR head-mounted display, where learners employ hand movements to build hydrocarbon molecules and experience haptic feedback through gloves with built-in sensors and hand-tracking with the Leap Motion system. We report here the evaluation of the first prototype by learners from diverse backgrounds who reported on the ability of the VRMC to support high engagement, motivation, interest and organic chemistry learning as well as diverse learning styles. The VRMC is a novel VR classroom that supports immersive learning in molecular organic chemistry with haptics for multisensory learning.

Atmospheric turbulence, which produces chaotic motions in the planetary boundary layer, can inhibit mixing between fast-reacting species produced or released at different locations. This segregation process modifies the effective rate at which reactions occur between these species, and are not appropriately accounted for in coarse resolution models since these models assume complete mixing of tracers within each gridbox. Here we present a few examples of LES-based simulations applied to chemically reactive species in a forested area with high emissions of biogenic hydrocarbons, an urban area rich in anthropogenic emissions; and a maritime area with high emissions of reduced sulfur species.

A microwave assisted method for synthesis of 2-substituted benzimidazoles has been developed. The combination of molar ratio N-phenyl-o-phenylenediamine:benzaldehyde (1:1) using microwave irradiation and only 1% mol of Er(OTf)3 provide an efficient, environmental and mild access to a diversity of benzimidazoles under solvent-free conditions.

This review presents an updated overview of research concerning Leishmania protein structures, primarily sourced from the Protein Data Bank (PDB), that play a role in the metabolic pathways of the Leishmania parasite. Furthermore, we assess the current progress in the identification and development of bioactive chemical agents aimed at addressing this substantially overlooked tropical disease. We have analyzed experimental data obtained from in vitro, in vivo and in silico sources. This data has been categorized into four main areas: a) vector taxonomy and geographic distribution; b) parasite taxonomy and geographic distribution; c) enzymatic functions of proteins engaged in parasite/host interactions throughout various developmental stages (such as oxidoreductases, transferases, hydrolases, lyases, isomerases, ligases, and cytokines); and d) established and experimental treatments employing bioactive chemical compounds. Our objective is to establish a foundational point of reference for research efforts concentrating on the elucidation of interaction mechanisms and the processes of ligand-protein activation/inactivation, specifically linked to Leishmania infections. Consequently, we emphasize enzymes recognized for their involvement in the biochemical pathways incited during Leishmania infection episodes. This review encapsulates the current understanding, offering insights to inform and direct future explorations aimed at targeting proteins and pathways to enhance the management of Leishmania-related diseases.

Climate change is a phenomenon that makes the climate system of a given region to be more unpredictable and increases the risk of water-related problems. GCMs under the new CMIP6 framework holds several climate models with many improvements as compared to past similar efforts. The improvements are mainly in the number of scenarios formulated, setup, parametrization, and resolution. In this study, 10 downscaled climate models from CMIP6 are evaluated by applying statistical and data mining tools and are ranked based on their capability to describe the historical observed series. The result of the analysis showed that the outputs of the MPI-ESM1-2-HR model have a good overall ranking among those 10 models. The output of this top-ranked model is used to understand future climate over UASB after properly bias-corrected using the QM method. Results of the bias correction step show that average annual precipitation has shown an increment of 6.5\% in the middle (SSP2-4.5) and 10.3\% in the worst (SSP5-8.5) case scenarios for the mid-century (2040 - 2069). Similarly, for the end of the century (2070 - 2099) an increment of 4.7\% and 17.5\% was predicted for the two scenarios respectively. Whereas average annual maximum temperature series showed an increment of 1.5 $\degree C$ for middle and 2.6 $\degree C$ for the worst case in the mid-century. At the same time, an increment of 2.2 $\degree C$ and 3.5 $\degree C$ were predicted for the end of the century similarly for those scenarios. Furthermore, it was predicted that the average annual minimum temperature series will have an increment of 2.6 $\degree C$ and 3.1 $\degree C$ for mid-century and 3.1 $\degree C$ and 4.7 $\degree C$ for the end century for the two scenarios respectively. An increase in precipitation with increased land degradation problems in the sub-basin increases the risk of flood events in the future.

The research was conducted in the Kırklareli stream, which flows southwest through the city of the same name toward the village of Kavaklı. The aim of the study is to evaluate water analysis results and assess the potential that the European Union drinking water standard for lead can be achieved in the Kırklareli stream by reliance on the low solubility of lead phosphate minerals. The present study used Visual MINTEQ 3.1 for all water chemistry simulations. The European Union drinking water standard for lead, which is 10 μg L⁻¹, is exceeded at least once and as many as three times at seven of the ten sites during the 2018 sampling season. Although the database solubility of hydroxypyromorphite is exceeded in most samples, it appears this may be the result of major ion substitutions in the hydroxypromorphite that forms in the Kırklareli stream which increases the effective solubility of lead in the stream.

Metastatic melanoma patients have a poor prognosis with poor responsiveness to chemotherapy. BRAF V600E mutations have been detected in ~40% of melanoma patients. Vemurafenib is an oral agent licensed for patients with BRAF V600E mutation-positive inoperable and metastatic melanoma, which already presents resistance that leads to patient relapse and the serious side effects. In our study, we synthesized 5 new vemurafenib analogs, RF-86A, RF-87A, RF-94A, RF-94B and RF-96B, with structural improve-ments, in order to increase the anti-proliferative and anti-metastatic effect on human melanoma. We showed that the analogs were efficient in inducing cell death and reducing the migration of A375 cells, by inhibition of MMP-2 and MMP-9 activity, indicating that this action may be longer lasting comparing to the action of Vemurafenib.

Cheese consumption provides humans with minerals, proteins, carbohydrates, and vitamins. In Mexico, several cheese varieties are produced, each with its texture, scent, and flavor. The artisanal cheeses made in the states of Tabasco and Chiapas —including, among others, the varieties named crema (cream), doble crema (double cream), oaxaca, panela, fresco, bola, poro, Cotija, and asadero— have a high demand in the domestic and foreign markets. The intensification of anthropic activity in these states causes an increased emission to the environment of contaminants like heavy metals, which could reach human foodstuffs through the food chains. In particular, heavy metal contents in cheeses consumed daily by these states' local population might represent a public health risk. Because of that, our objectives in this work were to determine the concentrations of lead, cadmium, nickel, copper, zinc, and iron in artisanal cheeses produced in the states of Tabasco and Chiapas, and to determine the values of the Hazard Quotient (HQ), Total Hazard Quotient (THQ), and Cancer Risk Total (CRT) for adult and young men and women. The results of our analyses of cheese samples from the states of Tabasco and Chiapas showed that the average concentrations (mg kg-1) of cadmium (0.0023±0.002, 0.0023±0.002 mg kg-1, respectively for each state), lead (0.0047±0.00, 0.0051±0.002), nickel (0.0039±0.0046, 0.0031±0.0039), copper (0.0199±0.021, 0.0202±0.022), zinc (0.1611±0.18, 0.194±0.21), and iron (61.84±4.23, 65.76±6.61 mg kg-1), the first three values lower than the limits established by the FAO/WHO and Codex Alimentarius. The value of THQ that we obtained was less than one, and that of CRT was within the limits established by the US-EPA, which means that the consumption of artisanal cheeses from Tabasco and Chiapas by humans does not imply a risk of disease or cancer.

Chemistry is the last natural science discipline to embrace prepublishing, namely the publication of non-peer reviewed scientific articles on the internet. After a brief insight into the origins and the purpose of prepublishing in science, we conduct a concrete analysis of the concrete situation, aiming at providing an answer to several questions. Why the chemistry community has been late in embracing prepublishing? Is this in relation with the slow acceptance of open access publishing by the same community? Will prepublishing become a common habit also for chemistry scholars?

The Cauto River Basin (CRB), the heartland of Cuban agriculture, has been hit hard by drought and water shortage. In response to this pressing issue, this study provides a comprehensive as-sessment of water supply, demand and balance within the Cauto River Basin, considering the baseline and projected socio-economic and climatic conditions by coupling of SWAT and WEAP models. The obtained results reveal that the annual flow in the CRB is projected to slightly de-crease (2.5%) in which the reduction in the rainy season (3.1%) is higher than that in the dry sea-son (1.3%). Total water demand in the baseline scenario is around 1.194 billion m3, dominated by agriculture (96%), with rice crop requiring nearly half. For the future scenario of 2050, the study shows a 16.6% surge in demand to 1.394 billion m3, driven by climate change and agricultural expansion. However, domestic use decreases by 10% due to population reduction. Water deficit in the future is projected to increase by 52% from 172.4 to 262.7 million m3 due to rising water demand and declining water supply. This study shows that integrating a hydrological model into a water allocation model is a promising approach to estimate the water supply, demand and balance, which is a crucial component of water resources management.

Seyfe Lake is an important part of the natural ecosystem of Central Anatolia and lies within a 1487 km² closed basin. Groundwater withdrawal for irrigation and recent climatic change have caused lake area to decrease for decades and to completely disappear briefly in August 2008. Groundwater quality is crucial for sustainable irrigation in the Seyfe Basin. A key finding of this study is the difference in the Hardie-Eugster alkalinity-to-calcium ratio of the lake water and that of most groundwater wells in the basin. This difference in the chemical signature of Seyfe Lake and basin groundwater means the evaporative salinization pathway of most groundwater discharged into the lake cannot account for the composition of Seyfe Lake. The ratio of actual evapotranspiration to precipitation will increase under current climate change projections. A second finding, with implications for soil salinization, is that most groundwater in Seyfe Basin has a Hardie-Eugster alkalinity-tocalcium ratio greater than unity, meaning soil alkalization will accompany soil salinization.

This work proposes a methodological approach applied to ephemeral gravel-bed streams to verify the change in the magnitude and frequency of hydrological events affecting the morphological dynamics and sediment budget in this type of channel. For the case study the Azohía Rambla, located in southeastern Spain, was chosen, emphasizing the research on two reference riverbed sections (RCRs): an upper one, with a predominance of erosion, and a middle one, where processes of incision, transport, and deposition converge. First, this approach focuses on relationships between peak discharges and sediment budgets during the period 2018 to 2022. For this purpose, water level measurements from pressure sensors, a One-Dimensional Hydrodynamic model, and findings from comparative analyses of high-resolution differential digital elevation models (HRDEM of Difference - HRDoD) based on SfM-MVS and LiDAR datasets were used. In a second phase the GeoWEPP model was applied to the period 1996-2022 in order to simulate runoff and sediment yield at the event scale for the watersheds draining into both RCRs. During the calibration phase a sensitivity analysis was carried out to detect the most influential parameters in the model and to confirm its capacity to simulate peak flow and sediment delivery in the area described above. Values of NS (Nash-Sutcliffe efficiency) and PBIAS (percent bias) equal to 0.86 and 7.81%, respectively, were found in the calibration period, while these indices were 0.81 and -4.1% in the validation period. Finally, different event class patterns (ECPs) were established for the monitoring period (2018-2022), according to flow stage and morphological channel adjustments (overtopping, bankfull and sub-bankfull, and half-sub-bankfull), and then retrospectively extrapolated to stages of the prior simulated period (1996-2018) from their typical sequences (PECPs). The results revealed a significant increase in the number of events and PECPs leading to lower bed incision rates and higher vertical accretion, which denotes a progressive increase in bed armoring and bank erosion processes.

Herein, we examined the effects of weather parameters and individual clinicodemographic risk factors on hemorrhagic stroke (HS) incidence, severity on admission, and disability at discharge in a harsh desert climate. In a retrospective design we studied patients admitted to a stroke unit in Arab Emirates in 2016-2019. With a distributed lag nonlinear model we explored immediate and delayed effects of weather on stroke incidence. Supervised machine learning was used to build models predictive of scores in NIHSS and mRS scales. We assessed model performance by calculating ROC AUC, F1 scores, specificity, and sensitivity. HS risk increased after a significant change in any weather parameter. The risk was reduced below baseline after 1-week adjustment to environmental changes. Climate input from the previous 3 days yielded reliable classification models. Humidex was a better predictor of severity than air temperature, whereas body mass index, age, and time of day at stroke onset were the strongest clinical predictors. Weather parameters before admission were stronger predictors of disease severity than individual clinical factors. We addressed limitations of previous studies by analyzing a full set of climate parameters: ambient temperature, relative humidity, humidex, atmospheric pressure, and wind speed. Predictive models may help to optimize patient management and develop preventative strategies.

Hybride halide perovskite materials gain enormous attention for their semiconducting properties, higher power conversion efficiency and potential applications in a wide range field of studies along with their two key limitations: stability and toxicity. In spite of great progress made on the halide perovskites and many promising research developments, overcoming these limitations is not realized yet. Therefore, coordination engineering of new framework for obtaining alternative new halide perovskite materials and fundamental understanding of the coordination chemistry and electronic interactions forming the structure of these newly engineered halide perovskite materials might be one way in order to overcome the issues related to both stability and toxicity. In this review, the current development of halide perovskite families, both lead halide perovskites and lead free halide perovskites followed by coordination engineering of the new frameworks to engineer new halide perovskite materials will be reviewed comprehensively. Moreover, all the concerns of the fundamental ideas of coordination chemistry and electronic interactions that are keys in forming the halide perovskite structures are discussed in detail and form the main aim of this review. Interestingly, we also discuss recent potential energy applications beyond photovoltaic and this review has completed with an essential and open question: ‘what could happen in the future of halide perovskites?’ in order to excite commercial enterprises and research institutions again as well as to get motivating new predictions on the future continuity of this field.

89Zr-radiolabelled proteins functionalised with desferrioxamine B are a cornerstone of diagnostic positron emission tomography. In the clinical setting, 89Zr-labelled proteins are produced manually. Here, we explore the potential of using a microfluidic photochemical flow reactor to prepare 89Zr-radiolabelled proteins. The light-induced functionalisation and 89Zr-radiolabelling of human serum albumin ([89Zr]ZrDFO-PEG3-Et-azepin-HSA) was achieved by flow photochemistry with a decay-corrected radiochemical yield (RCY) of 31.2±1.3% (n = 3) and radiochemical purity >90%. In comparison, a manual batch photoreactor synthesis produced the same radiotracer in a decay-corrected RCY of 59.6±3.6% (n = 3) with an equivalent RCP >90%. The results indicate that photoradiolabelling in flow is a feasible platform for the automated production of protein-based 89Zr-radiotracers, but further refinement of the apparatus, and optimisation of the method is required before the flow process is competitive with manual reactions.

A model of the early RNA world is proposed. Nearly self-complementary sequences that could adopt double-stranded, smallhairpin-like (shRNA), structures would be selected for due to their greater hydrolytic stability. These would be phosphorylated attheir 5' ends. We suppose that dehydrating conditions arise (perhaps intermittently) in the early environment allowing amino acidsto condense with these RNA molecules. The resulting phosphate-amino acid anhydrides would play the role of early, charged,tRNAs. A crude genetic code could emerge owing to the greater resistance of some amino acid-shRNA pairings to hydrolysisrelative to others. Early on there is no division of labor between mRNAs and tRNAs; the same molecules perform both functions.But the first systems would have encoded little in the way of protein sequence information. Rather they would have served as catalysts for the random polymerization of amino acids. It is speculated that the selective advantage inhering in such systems lay intheir ability to supply raw materials for the formation of coacervates within which the various molecules essential to proto-lifecould be concentrated. This would greatly facilitate the necessary chemistries. The evolution of homochiral protein and RNA populations is discussed. An appealing feature of this model is its ability to explain the transition from phosphorylated amino acids to the 3' ester-linked aminoacyl-tRNAs employed by modern life.

In the last 20 years, a huge amount of experimental results about halogen bonding (XB) has been produced. Most of the systems have been characterized by solid state X-ray crystallography, whereas in solution the only routine technique is the titration (by using ¹H and ¹⁹F NMR, IR, UV-Vis or Raman spectroscopies, depending on the nature of the system), with the aim of characterizing the strength of the XB interaction. Unfortunately, the titration techniques have many intrinsic limitations and they should be coupled with other, more sophisticated techniques to have an accurate and detailed description of the geometry and stoichiometry of the XB adduct in solution. In this review, it will be shown how crucial information about XB adducts can be obtained by advanced NMR techniques, as Nuclear Overhauser Effect-based Spectroscopies (NOESY, ROESY, HOESY…) and diffusion NMR techniques (PGSE or DOSY).

Achieving and sustaining stability for economic growth remain the greatest and most immediate development challenge for Ethiopia. For natural resource-based economies especially maintaining stability and growth depends fundamentally upon climate change adaptation and mitigation. The close links between climate and Ethiopia’s economy are reflected by the strong relationship between GDP growth rate and rainfall variability. A study by the World Bank projects that unless steps to build resilience are effective, climate change will reduce Ethiopia’s GDP growth by between 0.5 and 2.5% each year. Along with the challenges posed by climate change, a number of development opportunities are emerging in response to climate change which includes access to international climate finance. The international response to climate change in the form of external development finance plays a key role to support developing countries in their transition to a low-carbon, climate-resilient and sustainable development pathway. Therefore, this study was conducted to assess the flow and the overall contribution of climate finance to sustainable development in Ethiopia. Specifically, focused on outlining how climate finance is currently reconciled in the existing Ethiopian climate change governance and its contribution to sustainable development. In order to achieve these objectives, data were collected from different sources. The Rio Marker methodology applied to review climate financial flow over the 5 year period. The result reveals that, climate change is central to development agendas despite its recent emergence in the mainstream, with various initiatives under way to combat or reduce its impacts in Ethiopia. In addition, the amount of climate finance from the developed countries to Ethiopia shows some fluctuation for the past five years. In general, the overall flow of climate finance mostly targeted climate adaptation actions which spur and enable the transition towards climate-resilient growth and sustainable development.

This study assessed stakeholders’ perception on the prospects and challenges of practising Climate–Smart Agroforestry in the Asunafo North Municipal Assembly in the Ahafo Region in Ghana. Interviewer administered questionnaires were used to collect cross-sectional data from 250 cocoa, food and cash crop farmers drawn from four (4) communities using simple random sampling. And nine (9) in-depth interviews were also conducted to elicit key stakeholder perspectives. Stakeholders also held the view that Climate-Smart Agroforestry encourages the use of stress-tolerant crop varieties, increase income, improve soil productivity, diversify farm produce, urges the reduction of input supply and recommends the timely usage of the inputs, ensures better market system for farm produce, cost of production decreases during the practice of Agroforestry, agro-ecological functions and Climate-Smart Agroforestry can best help adapt to the threats of climate change in the agriculture sector. The challenges included insecure tree ownership right, fast-declining soil fertility and long maturity period of Agroforestry trees, land tenure issues, illegal tree logging (chainsaw operators) on farms, lack of practical understanding of the approach, inadequate knowledge and information and inadequate supportive facilities in the study area. The study recommends further studies on the existing forest policy and legislations and its implications on the practice and adoption of Climate-Smart Agroforestry in respond to climate change in the area.

The World Meteorological Organization (WMO) recommends that the most recent 30-year period, i.e. 1991-2020, shall be used to compute climate normals of geophysical variables. A unique aspect this recent 30-year period is that the satellite-based observations of many different essential climate variables are available during this period, thus opening up new possibilities to provide a robust, global basis for the 30-year reference period in order to allow climate monitoring and climate change studies. Here, using the satellite-based climate data record of cloud and radiation properties, CLARA-A3, for the month of January between 1981 to 2020, we illustrate the difference between climate normal, as defined by guidelines from WMO on calculations of 30-yr climate normals, and climatology. It is shown that this difference is strongly dependent on the climate variable in question. We discuss the impacts of the nature and availability of satellite observations, variable definition, retrieval algorithm and programmatic configuration. It is shown that the satellite-based climate data records show enormous promise in providing climate normal for the recent 30-year period (1991-2020) globally. We finally argue that the holistic perspectives from the global satellite community should be increasingly considered while formulating the future WMO guidelines on computing climate normals.

The brown pelican (Pelecanus occidentalis) is a species often affected by natural and man-made disasters such as hurricanes and oil spills as well as general human activities; that subsequently receives medical care and rehabilitation. During rehabilitation, blood may be collected for various testing to help with diagnosis, treatment, and monitoring. Reference intervals for this species are limited, dated, and typically from small sample sizes. Seventy one presumed healthy brown pelicans were sampled as a part of their pre-release examination from rehabilitation at the Wildlife Center of Texas after a large volume stranding in December 2014 to January 2015, and various venous analytes were measured to establish updated reference intervals for Brown Pelicans. Fibrinogen was measured via heat precipitation and the Abaxis VSPro equine Fibrinogen cartridge to determine reference intervals, and in an attempt to validate the VSPro for use in avian species. Abaxis VS2 Avian/Reptile Chemistry panel, iSTAT CG4+, and iSTAT Chem8+ results in addition to body condition score, spun PCV, cloacal temperature and fibrinogen were measured. Proposed reference intervals for brown pelicans are presented. Fibrinogen results were not comparable between the gold standard method and the VSPro, indicating that the VSPro is not appropriate for use in brown pelicans.

Cannabis sativa is one of the oldest plants utilized by humans for both economic and medical purposes. Although the use of cannabis started millennia ago in the Eastern part of the hemisphere, its use has moved and flourished in the Western Nations in more recent centuries. C. sativa is the source of psychoactive cannabinoids that are consumed as recreational drugs worldwide. The C21 aromatic hydrocarbons are restricted in their natural occurrence to cannabis (with a few exceptions). Delta-9-tetrahydrocannabinol (Δ9-THC) is the main psychoactive component in cannabis with many pharmacological effects and various approved medical applications. However, a wide range of side effects are associated with the use of Δ9-THC, limiting its medical use. In 1966, another psychoactive cannabinoid, Delta-8-tetrahydrocannabinol (Δ8-THC) was isolated from marijuana grown in Maryland but in very low yield. Δ8-THC is gaining increased popularity due to its better stability and easier synthetic manufacturing procedures compared to Δ9-THC. Passing the U.S. Farm Bill in 2018 led to an increase in the sale of Δ8-THC in the United States. The marketed products contain Δ8-THC from synthetic sources. In this review, methods of extraction, purification, and structure elucidation of Δ8-THC will be presented. The issue of whether Δ8-THC is a natural compound or an artifact will be discussed, and the different strategies for its chemical synthesis will be presented. Δ8-THC of synthetic origin is expected to contain some impurities due to residual amounts of starting materials and reagents as well as side products of the reactions. The various methods of analysis and detection of impurities present in the marketed products will be discussed. The pharmacological effects of Δ8-THC, including its interaction with CB1 and CB2 cannabinoid receptors in comparison with Δ9-THC, will be reviewed.

Cratylia argentea is a leguminous shrub with a great potential for livestock feeding in tropical areas. However, time consuming and labor-intensive methods of chemical analysis limits the understanding of its nutritive value. Near infrared spectroscopy (NIRS) is a low-cost technology that has been widely used in forage crops to fasten the assessment of its chemical composition. The objective of this study was to develop prediction models to assess crude protein (CP), neutral detergent fiber (NDF), acid detergent fiber (ADF) and dry matter (DM) of Cratylia based on NIRS and partial least square analysis. A total of 155 samples were harvested at different maturity levels and used for model development, whereas 107 were used for calibration and 48 for external validation. The cross-validation presented Root Mean Square Error of Prediction of 0.77, 2.56, 3.43, and 0.42; a Ratio of Performance to Deviation of 4.8, 4.0, 3.8, and 3.4; an R2 of 0.92, 0.92, 0.87, and 0.84 for CP, NDF, ADF, and DM, respectively. Based on the obtained results, we conclude the ability to predict chemical parameters of Cratylia with the current model was accurate. This way, livestock producers and researchers may use it to fasten the assessment of Cratylia’s nutritive value.

Background: Wastewater represents a health risk for populations. For sanitary safety, it is important to know their physico-chemical and microbiological qualities in order to better understand the risks incurred by the population. Objective: The aim of this study is to analyse the microbiological and physico-chemical quality of domestic wastewater in Adétikopé. Methodology: 12 wastewater samples were collected in Adétikopé from December 2022 to February 2023. Physico-chemical parameters were determined in accordance with AFNOR T90-105/ T90-023 and French standard NF T 90101. In microbiology, AFNOR was used as a reference for the detection of germs contaminating wastewater. Results were assessed in relation to European Union Criteria 98/83/EC. Results: The wastewater analyzed had a pH close to neutral, with an average pH of 7.05. The pollutant load generated ranged from 32 mg/l to 201 mg/l for BOD5, from 660 mg/l to 900 mg/l for COD and from 408 mg/l to 2080 mg/l for suspended solids. Concentrations of fecal coliforms and fecal streptococci are very high, far exceeding WHO guidelines for population health safety.

Global pollution from fossil plastics is one of the top environmental threats of our times. The end-of-life scenarios of fossil plastic, including recycling, incineration and disposal result in mi-croplastic formation, elevated atmospheric CO2 levels, and littering of terrestrial and aquatic environments by plastic waste. Currently thought-out regulations centered around banning plastics production and use and only recycling on a regional, national and global level are impeding efforts to rapidly replace fossil plastics through the use of natural alternatives. In particular, this review demonstrates how mi-crobial polyhydroxyalkanoates (PHA), a class of intrinsically natural polymers, can easily remedy for the fossil and persistent plastic dilemma. PHA are bio-based, bio-synthesized, bio-compatible, bio-degradable, and home- and industrially compostable. Therefore, they are one of the perfect replacements for our fossil plastics pollution dilemma, providing us with the benefits of fossil plastics and meeting all requirements of a truly circular economy. PHA biopolyesters are natural and green materials in all aspects of their life cycle. The review elaborates in detail how PHA’s production, consumption, and end-of-life profile are perfectly embedded in the current topical 12 Principles of Green Chemistry, which constitute the basis for sustainable product manufacturing. It is shown that it is time for a paradigm shift in plastics manufacturing, use and disposal. Hu-mankind needs alternatives to fossil plastics, which, as recalcitrant xenobiotics, contribute to the increasing deterioration of our planet. Natural PHA biopolyesters represent that paradigm shift!

Laboratory medicine is a digital science. Every large hospital produces a wealth of data each day - from simple numerical results from e.g. sodium measurements to highly complex output of “-omics” analyses, as well as quality control results and meta-data. Processing, connecting, storing, and ordering extensive parts of these individual data requires Big Data techniques. Whereas novel technologies such as artificial intelligence and machine learning have exciting application for the augmentation of laboratory medicine, the Big Data concept remains fundamental for any sophisticated data analysis in large databases. To make laboratory medicine data optimally usable for clinical and research purposes, they need to be FAIR: findable, accessible, interoperable, and reusable. This can be achieved for example by automated recording, connection of devices, efficient ETL (Extract, Transform, Load) processes, careful data governance, and modern data security solutions. Enriched with clinical data, laboratory medicine data allow a gain in pathophysiological insights, can improve patient care, or they can be used to develop reference intervals for diagnostic purposes. Nevertheless, Big Data in laboratory medicine do not come without challenges: The growing number of analyses and data derived from them is a demanding task to be taken care of. Laboratory medicine experts are and will be needed to drive this development, take an active role in the ongoing digitalization, and provide guidance for their clinical colleagues engaging with the laboratory data in research.

Viral infections inflict many serious human diseases, being responsible for remarkably high mortality rates. In this sense, both the academy and the pharmaceutical industry are continuously searching for new compounds with antiviral activity, and in addition, face the challenge of developing greener and more efficient methods to synthesize these compounds. This becomes even more important with drugs possessing stereogenic centers as highly enantioselective processes are required. In this minireview, the advances achieved to improve synthetic routes efficiency and sustainability of important commercially antiviral chiral drugs are discussed, highlighting the use of organocatalytic methods.

“Clickase” single-chain nanoparticles (Ck-SCNPs) are folded, enzyme-mimetic unimolecular polymeric nano-objects containing copper (Cu) ions able to catalyze the azide-alkyne Huisgen cycloaddition reaction in water and/or selected organic solvents, often in the presence of a reductant. Herein, we investigate the effect of morphology on catalytic activity of Ck-SCNPs synthesized by means of two different routes. An amphiphilic random copolymer composed of oligo(ethylene glycol) methyl ether methyl methacrylate (OEGMA) and 2-acetoacetoxy ethyl methacrylate (AEMA) units was used as precursor of these Ck-SCNPs. Folding was promoted through metal complexation between Cu(II) ions and beta-ketoester-containing AEMA moieties. The first route resulted in Ck-SCNPs1 containing Cu ions homogeneously distributed within each nanoparticle, whereas the second one promoted intra-chain clustering of Cu ions inside Ck-SCNPs2. A model fluorogenic “click” reaction between 9-(azidomethyl)anthracene and phenylacetylene, which was catalyzed either by Ck-SCNPs1 or Ck-SCNPs2, was used to unravel the effect of morphology on catalytic activity. This work paves the way to improve the catalytic activity of metallo-folded SCNPs through control of the intra-chain distribution of catalytic sites.

Hydrogenases are iron-sulfur enzymes that catalyze proton reduction and H₂ oxidation with outstanding efficiency. They are considered blueprints for the design of transition metal complexes, e.g. as heterogenous catalysts in the context of H₂ production from water. Moreover, hydrogenases are biological model systems for metal hydride chemistry and proton-coupled electron transfer. Depending on the composition of the active site cofactor, [NiFe]-hydrogenases are distinguished from [FeFe]-hydrogenases. The former binds a hetero bimetallic nickel/iron site, embedded in the protein by four cysteine ligands. The later, by contrast, carries a homo bimetallic iron/iron site attached to the protein by only a single cysteine. Carbon monoxide and cyanide ligands (CO/CN) at the active site facilitated detailed investigations of hydrogenase catalysis by infrared spectroscopy, owing to strong signals and redox-dependent frequency shifts. However, the details of proton transfer have not been addressed experimentally.We found that specific redox state transitions in [NiFe]- and [FeFe]-hydrogenase can be triggered by visible light to record extremely sensitive ‘light-minus-dark’ infrared difference spectra monitoring key amino acid residues as shown in the ToC figure. As these transitions are coupled to protonation changes, our data allowed investigating dynamic hydrogen-bonding changes that go well beyond the resolution of protein crystallography. In [NiFe]-hydrogenase, photolysis of the bridging hydride ligand in the ‘Ni-C’ state was followed by rapid accumulation of the ‘Ni-SI_a’ state and/or ‘Ni-L’ state. Infrared difference spectra in various isotopic media clearly indicated the formation of a protonated cysteine residue as well as hydrogen-bonding changes involving the COOH group of a glutamic acid residue and a ‘dangling water’ molecule. These findings are in excellent agreement with crystallographic analyses of [NiFe]-hydrogenase in the Ni-R state and allowed devising a molecular precise model of catalytic proton transfer. In [FeFe]-hydrogenase, an external redox dye was used to accumulate the ‘Hred’ state over the oxidized resting state ‘Hox’. Infrared difference spectra of wild-type enzyme and numerous amino acid variants indicated hydrogen-bonding changes involving the COOH groups of two glutamic acid residues. Moreover, we noted the deprotonation of an arginine residue. Crystallographic analyses of [FeFe]-hydrogenase in the Hox state failed to explain the rapid proton transfer due to a ‘breach’ in the succession of residues. To this end, our findings facilitated a molecular precise model of ‘discontinued’ proton transfer.The comparison of catalytic proton transfer in bimetallic hydrogenases emphasizes the role of the outer coordination sphere. We suggest that the stable protonation of a nickel-ligating cysteine in [NiFe]-hydrogenase has a crucial influence on the preferred direction of proton flow and catalysis (i.e., H₂ oxidation). On the contrary, proton transfer in [FeFe]-hydrogenase involves an adjacent cysteine as a relay group that promotes both proton release and proton uptake. We presume that this causes the notable bidirectionality of [FeFe]-hydrogenase. These observations must guide the design of biomimetic compounds for the production or consumption of H₂.

In this research, the photocatalytic degradation of cypermethrin using Fe-TiO2 nanoparticles supported in a biomaterial was evaluated. The nanoparticles of TiO2 were synthesized by the green chemistry method assisted by ultrasound and doped by chemical impregnation using molar ratios Fe:Ti of 0, 0.05, 0.075 and 0.1, to make efficient use of direct sunlight (λ>310 nm). All nanoparticles were immobilized on the surface of spathe of coconut palm (Cocos nucifera). The degradation was carried out at room temperature and natural pH in a flat plate solar reactor, on which the composite material was subjected. The concentration of cypermethrin was determined after 12000 J/m2 of accumulated radiation from GC-MS and the resulting material was characterized by Scanning electron microscopy (SEM), Transmission electron microscopy (TEM) image and selected area electron diffraction (SAED), Fourier transform infrared spectroscopy (FTIR), UV-Vis spectrophotometry of diffuse reflectance and BET surface area BET surface area. The best results were achieved with the use of Degussa TiO2 P-25, Fe:Ti=0 and Fe:Ti=0.05 in suspension, with percentages of degradation of cypermethrin of 99.84, 99.62, and 100%, respectively. However, the materials supported on the biomaterial of coconut, they allowed to reach degradation percentages higher than 80% with the advantage that it minimizes operating costs, since they are not necessary filtering or centrifuging processes to separate the catalyst.

Organic compounds that contain poly-triazole are very important intermediates in pharmaceutical and chemical industry. Click chemistry is one of essential reactions that can form C-N bond with high atom economy. The research progress in metals catalyzed Click chemistry of azides and alkynes from the perspective of reaction mechanism is categorized and summarized.

A sustainable reversed-phase chromatographic method has been developed and validated for the simultaneous determination of three active pharmaceutical ingredients, dorzolamide, brinzolamide, and timolol, used to treat glaucoma. The eco-friendly solvent isopropanol has been used as an organic mobile phase constituent. According to the Hansen space green solvent selection tool, isopropanol has a G score of 6.5, comparable to ethanol, which has a G score of 6.6. The mobile phase consists of isopropanol: aqueous sodium acetate buffer (0.1 M, pH 4.25) in the ratio of 10:90 (v/v). The flow rate was maintained at 1 mL/min. Dorzolamide and brinzolamide were detected at 254 nm, and timolol was detected at 295 nm. A high-purity silica with a polymeric C18 modification column (5 µm,150 x 4.6 mm) was used for this separation. The three compounds were eluted within 8 min. The method was validated according to ICH guidelines. The calibration curves were linear in the range of 20-70 µg/mL, 40-140 µg/mL, and 20-70 µg/mL for dorzolamide, brinzolamide, and timolol, respectively. The LODs were found to be 1.61 µg/mL, 1.60 µg/mL, and 3.16 µg/mL for dorzolamide, brinzolamide, and timolol, respectively. Good accuracy and precision were obtained for the three compounds. The greenness and whiteness of the method were indicated using the AGREE and RGB12 tools, respectively.

A better understanding of the expected future cyclonic activity, especially in the Mediterranean Basin in winter, is essential for developing scientifically based adaptation and mitigation methods to extreme precipitation and wind anomalies. The aim of this study is to analyze the change of winter cyclonic activity in the Mediterranean-Black Sea region, within the Atlantic–European region, at the beginning (as the recent historical period), middle and end of the 21st century. The projections are based on an ensemble of seven CMIP6 models, which showed the best consistency with NCEP/NCAR and ERA5 reanalysis, under the intermediate SSP2-4.5 and highest-emission SSP5-8.5 scenarios. The results show a consistent increase of the frequency of cyclones over Central Europe and the British Isles associated with the shift of cyclone tracks: norward from the Western Mediterranean region and southward from the Iceland Low. The latter leads to a decrease of the frequency in the north of the Atlantic–European region. At the same time, there is a reduction of the frequency of cyclones over the east of the Mediterranean Sea consistent with the decrease of cyclogenesis events. Area-averaged cyclone numbers in the Western and Eastern Mediterranean and the Black Sea subregions reduce to the end of the century under the highest-emission scenario, but not constantly and with a raise in the middle of the 21st century under both scenarios, which may be linked to the long-term multidecadal variability or regional features. In general, our study shows that the future winter cyclonic activity in the Mediterranean-Black Sea region responds unevenly to global climate changes, because regional and monthly features are important, as well as accounting for the long-term quasiperiodic variability.

Storm Ophelia made landfall over Ireland as an extra-tropical storm on the morning of the 16th of October 2017. The storm caused major power outages, lifted roofs, caused coastal flooding in Ireland, and resulted in the loss of three lives. A model’s capability to forecast extreme weather events such as Storm Ophelia is of utmost importance and now with a changing climate, it becomes more important to improve and enhance model forecasting capability. The Weather Research and Forecasting (WRF) model V3.9 has been configured for the Irish domain and this study presents a preliminary evaluation of the Model during Storm Ophelia. Simulated wind speed and direction were compared with hourly remote sensing (lidar) and in-situ (wind speed and wind direction at 10m) observations at the coastal site of Mace Head Atmospheric Research Station on the West coast of Ireland (53.33◦ N, 9.90 49 ◦ W). The model simulation has generally small biases in the simulated wind speed and wind direction during this case study. The model also realistically simulated the magnitude and geographical distribution of the wind speed and wind direction observed during Ophelia.

We revisit the notion of climate, along with its historical evolution, tracing the origin of the modern concerns about climate. The notion (and the scientific term) of climate has been established during the Greek antiquity in a geographical context and it acquired its statistical content (average weather) in modern times, after meteorological measurements had become common. Yet the modern definitions of climate are seriously affected by the wrong perception of the previous two centuries that climate should regularly be constant, unless an external agent acted. Therefore, we attempt to give a more rigorous definition of climate, consistent with the modern body of stochastics. We illustrate the definition by real-world data, which also exemplify the large climatic variability. Given this variability, the term “climate change” turns out to be scientifically unjustified. Specifically, it is a pleonasm as climate, like weather, has been ever changing. Indeed, a historical investigation reveals that the aim in using that term is not scientific but political. Within the political aims, water issues have been greatly promoted by projecting future catastrophes while reversing the true roles and causality directions. For this reason, we provide arguments that water is the main element that drives climate and not the opposite.

Even though Greece is considered a vulnerable region in terms of climate hazards, public perception and attitude do not always identify climate change as an important environmental area of concern, especially when compared to socio-economic issues. The key issue of this paper is to investigate and analyse public perception in Greece as regards to climate change risk. Through a questionnaire survey this paper analyses trends that exist, peoples’ opinion and awareness with regards to climate risk and how willing they are to change current lifestyle, to pay or to act to minimize or to prevent the risk. Conventional wisdom of this paper is to highlight factors that influence individual perception and point out drivers of behavior change that can support efficiently future adaptation plans.

Fe[C5H5N]2[N(CN)2]2 (1) was synthesized from a reaction of stoichiometric amounts of NaN(CN)2 and FeCl2·4 H2O in a methanol/pyridine solution. Single-crystal and powder diffraction show that 1 crystallizes in the monoclinic space group I2/m (no. 12), different from Mn[C5H5N]2[N(CN)2]2 (P21/c, no. 14) due to tilted pyridine rings, with a = 7.453(7) Å, b = 13.167(13) Å, c = 8.522(6) Å, β = 114.98(6)° and Z = 2. ATR-IR, AAS, and CHN measurements confirm the presence of dicyanamide and pyridine. Thermogravimetric analysis shows that π-stacking interactions of the pyridine rings play an important role in structural stabilization. Based on DFT-optimized structures, a chemical bonding analysis was performed using a local-orbital framework by projection from a plane-wave basis. The resulting bond orders and atomic charges are in good agreement with the expectations based on the structure analysis. SQUID magnetic susceptibility measurements show a high-spin state FeII compound with predominantly antiferromagnetic exchange interactions at lower temperatures.

Alginate extraction is from seaweed, and lignin separation is from by-product corn (stalks and leaves). Alginate/lignin is a synthetic polymer rich in biological activity of great interest. Antioxidant activities of alginate/lignin were evaluated, such as total antioxidant activity, reducing power activity, DPPH free radical scavenging activity, and α – glucosidase inhibition activity. The test of anticancer activity was on four cell lines (Hep G2, fibroblast, MCF-7, and NCI H460). Determination of physical-chemistry characteristics of alginate/lignin was through FTIR, DSC, SEM_EDS, SEM_EDS mapping, XRD, XRF, and 1H-NMR. A study of acute toxicity of alginate/lignin was on Swiss albino mice. The results showed alginate/lignin possessed antioxidant activity such as total antioxidant activity, reducing power activity, especially, α – glucosidase inhibition activity, and no free radical scavenging activity. Alginate/lignin did not be typical in cancer cell lines. Alginate/lignin existed in a thermally stable regular spherical shape in the investigated thermal region. Some specific functional groups of alginate and lignin did not exist in alginate/lignin crystal. Elements such as C, O, Na, and S were popular in the alginate/lignin structure. LD0 and LD100 of alginate/lignin in mice were 3.91 g/kg and 9.77 g/kg, respectively. Alginate/lignin is the potential for application as pharmaceutical materials, functional foods, and supporting diabetes treatment.

Successful fertilization treatments targeted to improve stand productivity while reducing operational complexities and cost depend on a clear understanding of soil nutrient availability under varying environmental conditions. Soil nutrient data collected from 154 forest sites throughout the Inland Northwest, USA were analyzed to examine soil nutrient characteristics on different geologic soil parent materials and to rank soil fertility. Results show that soil parent material explains significant differences in soil nutrient availability. Soils developed from volcanic rocks have the highest CEC and are relatively high in P, K, S, Mg, Cu, Ca, and B, but generally poor in N. Forest soils developed from plutonic rocks exhibit the lowest CEC and are low in N, S, K, Mg, Cu, and Ca, but higher in P. Some soils located on mixed glacial till are low only in K, Cu, Mg, and Ca, but many glacial soils are relatively rich in other nutrients, albeit the second lowest CEC. Soils developed from metasedimentary and sedimentary rocks are among those with lowest soil nutrient availability for P and B. Sulfur was found to have the highest concentrations in metasedimentary influenced soils and the least in sedimentary derived soils. Our results should be useful in designing site-specific fertilizer and nutrient management prescriptions for forest stands growing on soils developed from these major geologies within the Inland Northwest region of the United States.

Heterocycles are unique precursors for the synthesis of various pharmaceuticals and agrochemicals particularly those possessing N- or O- moieties. The development of methods to prepare heterocycles is of great importance in synthesis of organic compounds, especially the heterocycles which can be found in natural products. The synthesis of nitrogen and oxygen containing heterocycles viz. coumarins, dihydropyrimidinones, imidazoles, isoxazoles and benzimidazoles represented an attractive and demanding work for chemists as these nucleus has found extensive applications in several fields such as material science, analytical chemistry and most importantly in medicinal chemistry. Organic synthesis has been attracted towards the development of new environmental friendly procedures to achieve the goals of green chemistry. The fundamental aspects of green chemistry are use of biocatalysts and environmental benign solvents under mild conditions. The present review article summarized the green synthetic methods and biological activities of nitrogen and oxygen containing heterocycles.

Cyanides, though naturally occurring, are environmental pollutants when not treated properly. Some methods used to attenuate cyanides in waste waters from industrial processes are based simply on changing the physico-chemical properties of the waste water such as the pH and temperature. The effectiveness of these methods are based on hydrolysis of the cyanide and volatilization of the hydrogen cyanide formed. Another reaction which takes place simultaneously is ultraviolet-catalysed oxidation which converts the cyanide to bicarbonates and carbonates.The changes in the cyanide degradation rate approaches a minimum faster if the cyanide solution is maintained at a higher than ambient constant temperature.

Hydroxychloroquine, a known antiviral metabolite of chloroquine, is increasingly used along with antibiotic azithromycin for the treatment of COVID-19 infection. In about one month India, the world’s largest manufacturer, delivered hydroxychloroquine for treating COVID-19 to over 50 countries. The therapy is being used across the world both for patients staying at home at the early phase of symptoms, as well as for patients hospitalized. We summarize achievements as of late April 2020, review possible modes of action and suggest avenues for the quick scale-up of production of hydroxychloroquine.

On the primitive Earth, both L- and D-amino acids would have been present. However, only L-amino acids are essential blocks to construct proteins in modern life. To study the relative stability of homochiral and heterochiral peptides, a variety of computational methods were employed. 10 prebiotic amino acids (Gly, Ala, Asp, Glu, Ile, Leu, Pro, Ser, Thr, and Val) were previously determined by multiple previous meteorite, spark discharge, and hydrothermal vent studies. We focused on what had been reported as primary early Earth polypeptide analogs: 1ARK, 1PPT, 1ZFI, and 2LZE. Tripeptide composed of only Asp, Ser, and Val exemplified that different positions (i.e., N-terminus, C-terminus, and middle) made a difference in minimal folding energy of peptides, while the classification of amino acid (hydrophobic, acidic, or hydroxylic) did not show significant difference. Hierarchical cluster analysis for dipeptides with all possible combinations of the proposed 10 prebiotic amino acids and their D-amino acid substituted derivatives generated five clusters. Prebiotic polypeptides were built up to test the significance of molecular fluctuations, secondary structure occupancies, and folding energy differences based on these clusters. Most interestingly, among 129 residues, mutation sensitivity profiles presented that the ratio of more stable to less stable to equally stable D-amino acids was about 1:1:1. In conclusion, some combinations of a mixture of L- and D-amino acids can act as essential building blocks of life. Peptides with α-helices, long β-sheets, and long loops are usually less sensitive to D-amino acid replacements in comparison to short β-sheets.

The combination of eco-respectful epoxy compounds with the humins, a by-product of biomass chemical conversion technologies, allow the obtention of materials with high added value. In this work, we propose the chemical connection study of humins with two aliphatic diepoxides through the copolymerization reactions to synthesize sustainable bio-based thermosets. The mechanism insights for the crosslinking between the epoxides and humins was proposed considering the different functionalities of the humins structure. FT-IR spectroscopy, 1 D and 2 D NMR spectroscopy techniques were used to build the proposed mechanism. By these techniques, the principal chain connections and the reactivity of all the components were highlighted in the synthesized networks.

The cross-linkable PCL-PEG analogues block-graft copolymer was designed and synthesized, which with the copolymer of the MEO₂MA and OEGMA as graft chains to improve the mPEG-b-PCL-b-mPEG copolymer the aqueous solution properties. And successfully prepared two hydrogels via a copper-catalyzed 1, 3-dipolar azide-alkyne cycloaddition reaction of alkyne-terminated poly[glycidyl methacrylate-co-2-(2-methoxyethoxy) ethyl methacrylate-co-oligo (ethylene glycol) methacrylate] [P(GMA-co-MEO₂MA-co-OEGMA)] with azide end-functionalized PCL-PEG analogues block-graft copolymer, and tetrakis (2-propynyloxymethyl) -methane (TPOM) and with azide end-functionalized PCL-PEG analogues block-graft copolymer. The copolymer's chemical structure was characterized by proton nuclear magnetic resonance spectroscopy and fourier transform infrared spectroscopy. The molecular weights of the copolymers were decided with gel permeation chromatography. The water solubility and temperature sensitivity of the copolymers were studied by taking digital photos and transmittance change measured by UV spectrophotometer at different temperatures. Fluorescence probes, surface tension, dynamic light scattering and transmission electron microscopy were used to analyze the micelles that copolymers self-assembly in aqueous solution. The sol-gel behavior of copolymer solutions at high concentrations was explored by vial inversion experiments. Finally, the network structure of the gels was observed by scanning electron microscopy. These conclusions indicate that these hydrogels are expected to be used as a new material in the field of biomedicine.

Glycerol is a subproduct of biodiesel production and represents an important problem when generated in large scale. Alternatives that can utilize this unrefined byproduct is of potential interest. It is herein described the synthesis of a series of 1,2,3-triazoles using glycerol as starting material. The key step involved in the preparation of triazolic derivatives corresponded to the Copper(I)-catalyzed Azide-Alkyne Cycloaddition (CuAAC), also known as click reaction, between 4-(azidomethyl)-2,2-dimethyl-1,3-dioxolane (3) and different terminal alkynes. The eight prepared derivatives were evaluated with regard to their fungicide, phytotoxic and cytotoxic activities. The fungicide activity was assessed in vitro against Colletotrichum gloeosporioides, the causing agent of papaya anthracnose. It was found that the compounds 1-(1-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-1H-1,2,3-triazol-4-yl)cyclohexanol (4g) and 2-(1-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-1H-1,2,3-triazol-4-yl)propan-2-ol (4h) demonstrated high efficiency on controlling C. gloeosporioides when compared to the commercial fungicide tebuconazole. The triazoles did not present any phytotoxic effect when evaluated against Lactuca sativa. However, five derivatives were mitodepressive, inducing cell death detected by the presence of condensed nuclei and acted as aneugenic agents in the cell cycle of L. sativa. It is believed that glycerol derivatives bearing 1,2,3-triazole functionalities may represent a scaffold to be explored toward the development of new agents to control C. gloeosporioides.

The main objective of this paper is to assess pro-environmental behavior, climate change perception, anxiety, hope and despair in different political orientations. Specific aims included to validate all the instruments; to assess whether the factor structure of the scales were valid across political orientations; to evaluate their reliability; to assess differences concerning age, gender and political orientation; to know the variables that explain pro-environment behavior; and to evaluate the moderating role of climate change perception, despair and hope in the relationship between climate change anxiety and pro-environmental behavior. Confirmatory factor analysis (CFAs), multi-group CFAs (to measurement invariance), multiple linear regressions and moderations were performed. Results showed that pro-environment behavior and climate change hope achieved the four levels of invariance across different political orientations; climate change anxiety achieved the three first levels of invariance; climate change perception and climate change despair achieved configural invariance. Climate change anxiety personal experience, climate change perception total, reality and consequences present higher values in left political orientation that in right or center. Climate change anxiety variables contribute most to explaining pro-environmental behaviors. Hope, despair and climate change perception consequences moderate de relationship between climate change anxiety and pro-environment behavior. These results open up new avenues of investigation, namely, to understand why high levels of anxiety lead to more pro-environment al behaviors.

Climate change poses a significant threat to global food security, necessitating a thorough examination across multiple dimensions. Establishing appropriate food security evaluation indicators that align with the evolving concept of food security is imperative. This study enhances food security evaluation by refining a multi-dimensional framework and analyzing the impact of climate change across various regions from 2002 to 2021. By constructing an Food Security Index system composed of a three-tier indicator system and employing the entropy method for weighting, we assess the impacts of climate change on food security using a climate-economic model. Regression analysis reveals a negative linear relationship between mean temperatures and food security (p<0.01), while precipitation impacts food security non-linearly, particularly exhibiting inverse U-shaped patterns in major grain-producing and grain-consuming areas. Extreme high temperatures consistently reduce food security, whereas extreme precipitation displays a complex, statistically significant inverse U-shaped association. In regions where production and consumption are balanced, mean temperatures have a negative effect on food security, while precipitation exhibits a positive correlation, but excessive precipitation can have adverse effects. These findings highlight the intricate interplay between climate change, regional disparities, and food security in China, emphasizing the need to consider multi-dimensional factors and regional variations in addressing food security challenges. These insights are invaluable for policy-making and planning aimed at enhancing food security in China.

Abstract: Climate change is one of the main barriers for agricultural production and productivity globally. Hence, understanding farmers’ adoption level of CSA practices and determinants is of highly important for policy decisions. Consequently, the study's purpose was to assess adoption level of multiple CSA practices and determinants of climate-smart agriculture practices in the study area. The study was conducted in Welmera Woreda, Oromia Region, Ethiopia. From the Woreda, three kebeles were identified, and 306 respondent farmers were selected. A cross-sectional household survey, focus group discussion, and key informant interviews were used. Multivariate probit model was used to examine adoption determinants of multiple climate-smart agriculture practices. According to the result, Conservation agriculture, integrated soil fertility management, and crop diversification are the most commonly practiced CSA techniques in the study area. Demographic factors result indicated that being male as compared with female farmers, has positive and significant effect on crop diversification and improved livestock feed and feeding practices. Age of farmers significantly and negatively affecting the probability of adoption of improved soil fertility management practices and crop diversification. However, it affects the adoption of agroforestry practices positively and significantly. Based on the result of economic factors, having relatively large farm land size significantly increases the adoption of conservation agriculture, improved soil fertility management, crop diversification, improved livestock feed and feeding practices, and postharvest technology practice. Better farm income increases the likelihood of uptake of improved livestock feed and feeding. Having a large number of livestock positively influences adoption of conservation agriculture and having access to credit services positively influences the implementation of agroforestry, crop diversification, and postharvest technology. In addition, institutional factors such as access to agricultural extension service and training found that significantly and positively influences the adoption of crop diversification; access to participation on farmers’ field day similarly significantly and positively influence the adoption of both conservation agriculture and improved soil fertility management practice. Awareness creation for farmers and experts about climate change and including location specific CSA practices in to agricultural program is crucial.

In the recent century, the tourism industry and within it the tourism economy are one of the most important and fundamental sectors of engaged business. E-tourism can be used as a dynamic tool in up to date areas of informative information and tourism marketing will be considered as a suitable field for the tourism industry. The aim of this study was to investigate the relationship between climate change and the amount of revenues from the tourism industry relying on a tool called e-tourism, and informing and providing services through this way so that Iran can achieve a greater share of export of a single-product oil economy combined with economic growth and sustainable development goals. The method of this research is descriptive-analytical.

This study assessed the impact of climate change on water availability and variability in two subbasins in the Upper Blue Nile Basin of Ethiopia. Downscaled future climate data from HadCM3 of A2 (medium-high) and B2 (medium-low) emission scenarios were compared to the observed climate data for a baseline period (1961 to 1990). The emission scenario representing the baseline period was used to predict future climate and as input to a hydrologic model to estimate the impact of future climate on the streamflow at three future time horizons 2020 - 2045, 2045 - 2070 and 2070 - 2100. Results suggest that medium-high emission scenario best represents the local rainfall and temperature pattern. With A2 scenario, daily maximum/minimum temperature will increase throughout the future time horizons. The minimum and maximum temperature will increase by 3.6^oC and 2.4^oC, respectively, towards the end of the 21st century. Consequently, potential evapotranspiration is expected to increase by 7.8%, though trends in annual rainfall do not show statistically meaningful trends between years. A notable seasonality was found in the rainfall pattern such that dry season rainfall amounts are likely to increase and wet season rainfall to decrease. The hydrological model indicated that the local hydrology of the study watersheds will be significantly influenced by climate change. Overall, at the end of the century, streamflow will increase in both rivers by up to 64% in dry seasons and decrease by 19% in wet seasons.

The government of Nepal (GoN) has developed and implemented climate policies, plans and frameworks such as NAPA, National Climate Change Policy, LAPA and currently in the process of developing National Adaptation Plans (NAPs). These policies and plans are in different states of its implementation with diverse opinions and perceptions of the stakeholders. The paper has explored these opinions and experiences of climate experts in Nepal on state of climate policies, inter-linkages, roles and responsibilities of ministries/departments, important factors and subjective indicators for effective implementation of the policies. Altogether 30 experts responded the questionnaire sent via the email, LinkedIn and Skype Interview in the 1^st phase of Delphi research technique. The experiences of these experts range from 2-30 years representing government, non-government sectors, media and independent experts. As per most of the experts interviewed, the policies and plans are progressing in strategic direction with national and local priorities. The LAPA is the pioneer framework to address the local climatic issues, originated in Nepal. However, lack of clarity on roles/responsibilities and coordination among the ministries/departments; clear mechanisms for implementation of these policies; lack of sensitization, decentralization and delegation of finance and technologies; capacity of the stakeholders are the major challenges identified.

This article presents and discusses analytical data on the scientific publication record from 1910 to 2020 on two topics: "climate" and "climate change/global warming/climate emergency". The goal is to visualize how the publication record on these two topics has evolved over time, from different classification perspectives (year, country, source and organization). Three hypotheses are tested using data collected from Web of Science and various graphical representations of the data. It is found that research output related to the Earth’s contemporary changing climate overtook that of general climate research in 2011, and the publication ratio has been expanding in the last decade. There are significant differences in the publication countries and sources between the two topics, and conversely less significant differences in terms of organizations publishing these works. Differentiation factors that affect the level of research output and engagement on the climate challenge include: island versus landlocked nations, specialized versus general scientific journals, academic versus institutional organizations. The future of the publication records is discussed, such as the emergence of new terms to refer to the climate challenge, such as “climate emergency”.

The German Constitutional Court’s climate verdict provides a re-interpretation of liberal- democratic core concepts and is highly relevant for liberal constitutional law in general – including EU and international law. The verdict accepts human rights as intertemporal and globally applicable; it applies the precautionary principle to these rights and frees them from the misleading causality debate. However, the court fails to address the most important violations of human rights, and it categorised climate policy as a greater threat to freedom than climate change. And the court does not make it clear that the Paris 1.5-degree limit implies a radically smaller carbon budget. Furthermore, little attention has so far been paid to the fact that the ruling implies an obligation for more EU climate protection, especially since most emissions are regulated supranationally. To be effective, the EU emissions trading system demands a reform, which should go well beyond the existing EU proposals to enable societal transformation to sustainability.

Why did inanimate materials evolve into complex organisms and societies on Earth? This is a fundamental scientific question that has captivated humans for millennia. Here we propose the Carbon-Based Evolutionary Theory (CBET) to provide novel, direct, explicit, and relatively comprehensive answers to this question. The CBET identifies three key mechanisms based on some well-known principles of physics and chemistry (e.g., laws of thermodynamics) and some features of Earth and carbon-based entities (CBEs): the driving force mechanism that provides energy, the structural mechanism that generates new functions, and the natural selection mechanism that accumulates orderliness, all for the evolution of CBEs. These mechanisms lead to the progression from chemical to biological and social evolution, marked by the escalating hierarchy of CBEs and the increase in the quantity, diversity, and orderliness of high-hierarchy CBEs. The CBET clarifies the natural roots of multiple pivotal and seemingly paradoxical social notions, such as inclusiveness and competition, altruism and selfishness, freedom and restriction, as well as inherited advantages and acquired strengths. It advocates for the balanced, harmonious, and peaceful development of human society as well as the integration of all countries into a single harmonious social collective. The CBET unifies biology with physics and chemistry and could be a basic theory shared by the natural sciences and the social sciences. It could also be significant in the rational development of human society.

Generative artificial intelligence tools are flourishing across various sciences, particularly in the educational domain. ChatGPT, with its versions 3.5 and 4.0, stands out for its multilingual capabilities, catering to both students and educators. This research aimed to evaluate the performance differences between these versions, and importantly, to compare the accuracy of ChatGPT's responses in English versus Arabic. In our study, we presented ChatGPT with 39 chemistry problems related to 6th-7th grade curriculum, including twenty-five open questions and fourteen multiple-choice questions. Each response was categorized as accurate, partially accurate, or inaccurate. Our analysis, focused on trends across versions and languages, revealed significant enhancements in version 4.0, particularly in its ability to process Arabic. However, despite these improvements, our findings indicate that responses in English consistently outperformed those in Arabic in terms of accuracy. In light of this discrepancy, we suggest that ChatGPT either incorporates additional Arabic databases into its training regimen or develops a code that adopts the following strategy to ensure more accurate responses in science education: questions should first be translated from Arabic to English, addressed, and then retranslated into Arabic before being presented to the user. This approach takes advantage of the greater accuracy of responses in English to benefit Arabic-speaking users, and it may also improve outcomes for speakers of other languages who experience less precise answers in the fields of chemistry or science education.

: Flotation performance in plants can significantly be affected by seasonal variations in different parts of the world. This is generally attributed to the changes in water temperature and pulp temperature in flotation plants, type and concentration of dissolved ions in process water. Extreme temperature conditions may be the major factor affecting flotation performance and mask the influence of water chemistry. Therefore, the interactive effects of the temperature and water chemistry should be taken into consideration, particularly for mine sites experiencing extreme temperature conditions. In this paper, effects of temperature, sulphate (SO42-), thiosulphate (S2O32-) and calcium (Ca2+) ions on the flotation performance of a Cu-Pb-Zn complex sulfide ore were investigated using a statistical experimental design and modelling approach. Batch scale kinetic flotation tests were conducted using the sequential flotation flowsheet of a bulk Cu-Pb flotation stage followed by a zinc rougher flotation stage. The results of the zinc flotation section were used for the statistical evaluation since the zinc concentrate was the product with an economic value for the mine. The results were evaluated using ANOVA analysis and regression analysis to determine the significant parameters and derive individual regression models for each flotation response with Design Expert software version 6.0.8. Individual regression models were developed using the significant main effects and their interactions for each flotation response. Then, the models were used to determine the concentration of the dissolved ions and pulp temperature required to achieve the maximum zinc recovery, maximum zinc grade or the optimum zinc grade and recovery. The details of statistical experimental design, discussions on the effects of the experimental factors and their interactions on the flotation performance and development of regression models are discussed in this paper.

The study of phytotherapy in dentistry is relevant due to the low occurrence of research in the treatment of oral pathologies, such as caries and periodontal disease. Thus, the aim of this research was to characterize the chemical composition of extracts from the leaves of Couroupita guianensis Aubl, including toxicological evaluation and the antioxidant and antimicrobial potential against Staphylococcus aureus, Streptococcus mutans and Candida albicans. Three extracts were prepared using assisted ultrasound, originating the Crude Ultrasound Extract (CUE) and Soxhlet apparatus, originating the Crude Soxhlet Extract (CSE) and the Ethanol Soxhlet Extract (ESE). In the analysis of the chemical composition, the presence of flavonoids, tannins and saponins were detected. LC-DAD analysis revealed the presence of caffeic acid, sinapic acid, rutin, quercetin, luteolin, kaempferol and apigenin in all extracts. In the GC-MS analysis, stigmasterol and β-sitosterol were identified in CUE and CSE. The antioxidant potentials, determined by the DPPH• and ABTS•+ methods, the ESE showed higher antioxidant activity (2.98 ± 0.96 and 4.93 ± 0.90, respectively). In the evaluation of toxicity, the CUE 50µg/mL and the ESE 50 µg/mL presented growth stimulation of Allium cepa roots. At a concentration of 750µg/mL, all extracts inhibited root growth. None of the extracts showed toxicity against Artemia salina. Antibacterial action was detected in all extracts, mainly against the microorganisms S. aureus and S. mutans; however, the antifungal action against C. albicans was not detected. From the results, the extracts of C. guianensis have therapeutic potential for use in the control of microorganisms in the oral microbiota.

Latterly, the development of green synthesized polymeric nanoparticles with anticancer studies has been an emerging field in academia, and in the pharmaceutical and chemical industry. Vegetable oils are potential substitutes for petroleum derivatives, as they present themselves as a clean and environmentally friendly alternative and are available in high quantities at relatively low prices. Biomass-derived chemicals can be converted into monomers with unique structures, generating materials with new properties for the synthesis of sustainable monomers and polymers. In this way, the production of bio-based polymeric nanoparticles appears as a great application of green chemistry for biomedical uses. There is an increasing demand for biocompatible and biodegradable materials for specific applications in biomedical as cancer therapy, encouraging scientists in working on research towards designing polymers, with enhanced properties and clean processes, containing oncology active pharmaceutical ingredients (APIs). The nanoencapsulation of these APIs in bio-based polymeric nanoparticles can control the release of the substances, increase bioavailability, reduce problems with volatility and degradation, reduce side effects, and increase treatment efficiency. Thus, this review aims to discuss the use of green chemistry for bio-based nanoparticle production and its application in anticancer medicine. The use of vegetable oils for the production of renewable monomers and polymers will be discussed, bringing castor oil as an ideal candidate for such application, as well as more suitable methods for the production of bio-based nanoparticles and some oncology APIs available for anticancer application.

Activated Corrosion Products (ACPs) formation and deposition pose a critical safety issue for nuclear fusion reactors. The working fluid transports the ACPs towards regions accessible to worker personnel. Predicting ACPs formation deposition and transport is fundamental for source term identification, reduction of radiation exposure assessment, maintenance plan definition, design optimization, and waste management. The code OSCAR-Fusion has been developed by the CEA (France) to evaluate the ACPs generation and transport in closed water-cooled loops for fusion application. This work aims at assessing the impact of water chemistry on the transport, precipitation, and deposition of corrosion products for the EU-DEMO divertor Plasma Facing Unit Primary Heat Transfer System. Sensitivity analyses and uncertainty quantification are needed due to the multi-physics phenomena involved in ACPs formation and transport. The OSCAR-Fusion/RAVEN code coupling developed by the Sapienza University of Rome and ENEA has been used. This work presents the perturbation results of different parameters chosen for a closed water-cooled loop considering a continuous scenario of 1888 days. The aim of this work is to assess the variation of build-up of ACPs, perturbing the alkalizing agent concentration into the coolant and the corrosion and release rates of different materials.

I describe the non-equilibrium thermodynamics and the photochemical mechanisms which may have been involved in the dissipative synthesis, proliferation, and evolution of the fundamental molecules at the origin of life from simpler and more common precursor molecules such as HCN, H2O and CO2 under the impressed UVC photon flux of the Archean. The fundamental molecules absorb strongly in this UVC region and exhibit strong coupling between their electronic excited and ground states which endows them with efficient photon disipative capacity (broad wavelength absorption and rapid radiationless dexcitation) suggestive of dissipative structuring. The autocatalytic nature of the synthesized molecules in dissipating the same photochemical potential that directed their synthesis leads to their proliferation. The non-linearity in the photochemical and chemical reaction rates provides numerous stationary states which can be reached by amplification of a molecular concentration fluctuation near a bifurcation, promoting the system into states of generally higher photon disspative efficacy. An example is given of the UV photochemical dissipative structuring, proliferation, and evolution of molecules on route to the nucleobase adenine from the common precursor molecules HCN and H2O occurring within a fatty acid vesicle. The kinetic equations are resolved under different environmental conditions, providing a non-equilibrium thermodynamic analysis of the appearance of an early important molecule for the origin of life.

Intensive application of synthetic pesticides was the routine practice of commercial agriculture during the Green Revolution to boost agricultural productivity to meet global food demand. Alongside this, the application of chemical pesticides caused adverse effects on the environment and its ecoreceptors including human health. Negative externalities arising from conventional farming instigated the call for sustainable development during the sixties to promote and balance the nexus between socially acceptable economic growth and environmental protection. Consequently, a blueprint of 17 Sustainable Development Goals (SDGs) and 169 targets including ecological stewardship and food security was drafted. Eight out of the 17 SDGs are directly linked to sustainable agriculture based on the direct impact of agriculture, judicious use of critical resources and conservation and the Principles of green chemistry. As a green chemical agent, biopesticides have been shown to have the potentials to substitute chemical pesticides with equal agricultural productivity. The adoption of bio-based pesticides via integrated pest management (IPM) has proven to be the most effective option to influence most dimensions of sustainable agriculture. Therefore, biopesticide-driven IPM if utilized with requisite education, skills and research would boost sustainable agriculture. This chapter reviews the prospects, importance, and limitations of biopesticides to sustainable agriculture and how sustainable agriculture is connected to sustainable development, Green Chemistry, and integrated pest management.

In the article we present the results concerning the impact of structural and chemical properties of zinc oxide in various morphological forms, on its gas-sensitive properties tested in an atmosphere containing a very aggressive gas such as chlorine. Two types of ZnO sensor layers obtained by two different technological methods were used. Their morphology, crystal structure, specific surface area, porosity, surface chemistry and structural defects were characterized, and then compared with gas-sensitive properties in a chlorine-containing atmosphere. To achieve this goal scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and photoluminescence spectroscopy (PL) methods were used. The sensing properties of obtained active layers were tested by temperature stimulated conductance method (TSC). We have noticed that their response in chlorine atmosphere is not determined by the size of the specific surface or porosity. The obtained results showed that the structural defects of ZnO crystals play the most important role in chlorine detection. We demonstrated that the Cl2 adsorption is a concurrent process to oxygen adsorption. Both of them occur on the same active species (oxygen vacancies). They concentration is higher on the side planes of the zinc oxide crystal than the others. Thanks to the conducted studies authors demonstrated that to develop a new gas sensor devices not only changing of active layer chemical composition but also controlling its crystal structure and morphology could be used.

Monitoring glycosylation changes within cells upon response to stimuli remains challenging because of the complexity of this large family of post-translational modifications (PTMs). We have developed an original tool enabling labeling and visualization of the cell cycle key-regulator b-catenin in its O-GlcNAcylated form based on intramolecular Förster resonance energy transfer (FRET) technology in cells. We opted for a bioorthogonal chemical reporter strategy based on the dual-labeling of b-catenin with a green fluorescent protein (GFP) for protein sequence combined with a chemically-clicked imaging probe for PTM resulting in a fast and easy to monitor qualitative FRET assay. We validated this technology by imaging the O-GlcNAcylation status of b-catenin in HeLa cells. Moreover, the changes in O-GlcNAcylation of b-catenin were varied by perturbing global cellular O-GlcNAc levels with inhibitors of O-GlcNAc transferase (OGT) and O-GlcNAcase (OGA). Finally, we provided a flowchart demonstrating how this technology is transposable to any kind of glycosylation.

Carbon dioxide has become a global challenge, where the emissions have become more than what could be handled. In this regard, conversion of CO2 to value added chemicals and thus recycling CO2 became a viable option. One of these options is the use of a process in strong development: oxycombustion. However, the gases resulting from this process contain some traces of impurities that can hinder the recovery of CO2 such as NO and CO. This work has therefore focused on the study of the reaction of NO reduction by CO in an oxidizing medium, using catalytic materials based on various supported noble metals. These materials were extensively characterized by a variety of methods including BET surface area measurements, hydrogen chemisorption, Transmission Electron Microscopy (TEM) and H2 temperature programmed reduction (H2-TPR). The obtained results show that the catalytic behaviour of M/Al2O3 catalysts in CO oxidation and NO reduction with CO in oxidative conditions depends mainly on the nature of the metal. The best result for these both reactions is obtained with Pt/Al2O3 catalyst. The Pt nanoparticles existing in the metallic form (Pt°) showed by TPR could explain the activity.

Novel 1,2,3-triazole compounds 3–4 were synthesised via the regioselective addition and cyclization reaction of 1,1-enediamines (EDAMs) 1 with p-methylbenzenesulfonyl azide (TsN₃) 2 in 1,4-dioxane at refluxing for 5 hours. As a result, 1,2,3-triazoles 3–4 can be easily and efficiently obtained via catalyst-free click chemistry. The reactions have some advantages such as metal-free catalyst, excellent yield, inexpensive raw materials, and convenient final treatment.

ω-Transaminases have been immobilized on macrocellular silica monoliths and used as heterogeneous biocatalysts in a continuous flow mode enantioselective transamination reaction. The support was prepared by a sol-gel method based on emulsion templating. The enzyme was immobilized on the structured silica monoliths both by adsorption, and by covalent grafting using amino-functionalized silica monoliths and glutaraldehyde as a coupling agent. A simple reactor set-up based on the use of a heat-shrinkable Teflon tube is presented and successfully used for the continuous flow kinetic resolution of a chiral amine, 4-bromo-α-methylbenzylamine. The porous structure of the supports ensures effective mass transfer and the reactor works in the plug flow regime without preferential flow paths. When immobilized in the monolith and used in the flow reactor, transaminases retain their activity and their enantioselectivity. The solid biocatalyst is also shown to be stable both on stream and during storage. These essential features pave the way to the successful development of an environmentally friendly process for chiral amines production.

The 20th century, global temperatures underwent significant changes, impacting agricultural climate zones worldwide. Xinjiang, China, a key player in machine-picked cotton production, was influenced by various heat-related indicators(sum of active temperature ≥ 10℃、mean temperature in July、climatological growing season length, April-May sum active temperature、Last spring frost, and Defoliator spray time). Using meteorological data from 58 weather stations in Xinjiang, we examined the spatio-temporal trends of these indicators during the period of 1981-2020. Additionally, we considered the effects of climate warming and plastic mulching on the sowing area and zoning area of machine-picked cotton in different suitable zones. Overall, Xinjiang experienced an trend in heat resources, with a pattern of "more in the southern part than the northern part, and more in plains and basins than in mountainous areas." Under climate warming conditions, the sowing area of the most suitable cotton zone and the suitable cotton zone has increased, while the sowing area of the moderately suitable cotton zone and unsuitable cotton zone has decreased. Under the plastic mulching mechanism, a comparison of the zoning area and sowing area from 1991 to 2020 revealed that there was no difference in the zoning area of the most suitable zone compared to the sowing area, while the zoning area of the suitable zone increased by 15.7% (2.15×103km2) compared to the sowing area. The zoning area of the moderately suitable zone decreased by 14.5% (0.26×103km2), and the unsuitable zone decreased by 7.8% (0.17×103km2) compared to their respective sowing areas. These results indicate that climate warming and plastic mulching have increased the cultivable area of machine-picked cotton in Xinjiang, but there are also instances of unreasonable zoning. It is necessary to allocate land resources reasonably based on climatic conditions to ensure the healthy development of the cotton industry in Xinjiang.