This paper undertakes a comprehensive review to underscore the central role of sustainability in the evaluation and innovation of jet grouting technologies. It meticulously traces the evolution of evaluation methodologies, emphasizing the imperative of sustainable practices throughout history. Traditional evaluation paradigms are examined alongside contemporary trends, with a particular focus on sustainability metrics and visualization techniques. Through an examination of innovative jet grouting technologies, this paper illustrates how sustainability principles have driven advancements aimed at improving the efficiency and environmental impact of jet grouting methods. Central to this review is an assessment of sustainability across multiple dimensions, including method applicability, installation and operational compatibility, and the performance of the resulting jet grouted piles. By emphasizing sustainability considerations, the paper highlights the intrinsic link between environmental integrity and technological innovation in the field of jet grouting. In addition, it discusses analytical evaluation methods designed to proactively address sustainability concerns prior to construction, thereby promoting a more environmentally responsible approach. Finally, this paper presents a pioneering evaluation framework that integrates real-time monitoring and visualization tools, allowing stakeholders to track sustainability milestones throughout the construction process. By emphasizing sustainability as a guiding principle, this review advocates for a paradigm shift toward more ecologically sound and resilient jet grouting practices.

This study aims to investigate the influence of various economic, environmental, and social factors on sustainable development, with a specific focus on the impact of green technology and climate change adaptation. A panel dataset comprising 38 OECD member countries from 1990 to 2020 is employed, and a series of dynamic panel data models are estimated using the system generalized method of moments (GMM) approach. Numerous covariates, such as globalization, socio-economic conditions, economic and political values, climate and technological progress, and environmental determinants, are examined. The empirical findings highlight the significant role played by macroeconomic, institutional, social, and government policy-related factors in sustainable development. More importantly, our results provide novel and robust evidence that the diffusion of green technology and climate change adaptation positively affect green growth. The study's empirical outcomes are demonstrated to be robust to misspecification errors and statistically significant at traditional significance levels. These findings carry substantial policy implications for the development and implementation of strategies that promote climate change adaptation and green innovation. Consequently, policymakers should prioritize the integration of green technology and adaptive measures in their sustainable development agendas to foster a greener, more resilient future.

Solar green roofs, namely rooftops functionalized with properly selected living vegetation and photovoltaic modules, achieve an ideal symbiotic relationship in which promotion of biodiversity and onsite renewable energy production are both enhanced whereas the roof provides a wide range of environmental, health, aesthetic and economic benefits. This study provides a unified outlook of this eminent sustainable technology at the dawn of its uptake across the world, especially in polluted urban areas.

Why and how did simple and unordered substances on Earth evolve into complex, orderly, and diverse organisms and social organizations? Here we propose the Carbon-Based Evolutionary Theory (CBET) to provide an explicit and comprehensive answer to this fundamental scientific question. The CBET is based on the integration of the principles of physics and chemistry (e.g., laws of thermodynamics), the features of Earth (e.g., having abundant water and energy), and the features of carbon-based materials (CBMs) using rational logic and abundant evidence from a panoramic view. The integration reveals the driving force mechanism, the structure-function mechanism, and the natural selection mechanism, which underpin evolution with energy supply, function generation, and structural optimization, respectively. These three mechanisms escalate the hierarchy of CBMs, augment the quantity, diversity, and orderliness of high-hierarchy CBMs, and lead to chemical, biological, and social evolution. The CBET uncovers the natural roots of multiple pivotal and seemingly paradoxical social notions, such as inclusiveness versus elimination, cooperation versus competition, and altruism versus selfishness. It advocates for the balanced, harmonious, and peaceful development of human society. The CBET could unify biology with physics and chemistry, bridge the natural sciences and the social sciences, and guide the rational development of human society.

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.

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.

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.

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 increasing focus on sustainability and the adoption of green practices across industries underscore the necessity of equipping future professionals with competencies in implementing sustainable solutions. This study explores the perceptions of former students from two departments within the technological sector towards sustainability practices. A cross-sectional online survey was carried out among alumni from two programs at the University of Thessaly, a university recognized for its commitment to sustainability and green initiatives as a member of the INVEST European University alliance. The survey questionnaire included background inquiries and 16 statements designed to gauge alumni perspectives towards sustainability practices. Specifically, it aims to assess their views through self-assessment and compare differences between the two alumni groups. Responses were collected on a 5-point Likert scale ranging from strongly disagree to strongly agree. A total of 300 graduates from the Computer Science and Telecommunications as well as Electrical Engineering undergraduate programs were encouraged to take part in the survey, achieving a response rate of 69%. Of those who responded, 61% (n = 126) represented the Computer Science and Telecommunications group, while 39% (n = 81) were from the Electrical Engineering program. Our findings indicate a generally positive attitude towards sustainability, with statistically significant differences in perspectives on the implementation of sustainable technologies and stakeholder engagement. These results underscore the necessity of integrating sustainability education deeply within the curricula of technological programs to cultivate a workforce capable of addressing future environmental challenges. This study illuminates the critical role of educational frameworks in shaping the sustainability competencies of technology professionals.

Continuity of activities and projects are important for sustainably developing organizations, especially universities. The purpose of this research study is to find university development guidelines regarding waste management according to the green university ranking criteria for sustainable developments by studying and collecting the data covering the last five years (2019 - 2023) of Mahasarakham University. We also analyzed and synthesized lessons learned from the details of the operations and the factors involved in successes while comparing and providing suggestions for the operations in the next year. It was found that waste management that resulted in continuous developments that achieved the goals of Mahasarakham University consisted of the five guidelines. (1) Making green university policies and using them as the (key performance index) KPI of the divisions and also announcing the university's waste management policies by applying the principles of 3R (Reuse-Reduce-Recycle). (2) Allocating the budgets supporting the projects' activities according to the evaluation criteria. (3) Student and personnel participation as well as the mechanisms used by the committees from various administrative divisions such as Student Council, Student Association and clubs to drive the operations. (4) Identifying the main responsible individuals and committees for the green university who communicated and drove the operations while collecting, analyzing and preparing the data. (5) Follow-ups and evaluations of the project's activities with the Plan-Do-Check-Act (PDCA) processes for continuous and sustainable developments and improvements leading to the green university. With the above operations, Mahasarakham University's waste management scores of the six indices during 2019 - 3023 increased annually as follows: 900, 900, 1050, 1275 and 1350.

A preventive effect for tea and its bio active components in cardiovascular health has been suggested by the results of several epidemiological studies, treatments utilizing randomized controlled trials, and mechanistic investigations. Therefore, scientific interest in green tea's ability to prevent cardiovascular diseases (CVDs) is growing. Green tea benefits for the metabolic syndrome, which includes diabetes and hypertension but may also raise cholesterol levels. Additionally, green tea reduces the mortality from any cause, arrhythmia, stroke, coronary heart disease, heart failure, and other conditions.

Magnesium oxide is typically white and can be colorized with transition metal insertion by doping or by adsorption. We present the preparation of green colored hydroxide by the adsorption of nickel ions by porous MgO. MgO was prepared by the colloidal starch suspension method and used to remove nickel ions from the aqueous solution. The oxides and hydroxides, before and after adsorption, were characterized by X-ray diffraction technical, and show that a phase change occurs, a transition from periclase (MgO) to brucite (Mg(OH)2) due to the interaction with nickel salts (acetate, chloride, and nitrate). The FTIR spectrum corroborates with the DRX data on the formation of brucite like crystal lattices. The new samples present a green color, indicative of the incor-po-ration of the Ni2+ ions. Mixed oxides in the form of brucite were used in microbiological tests and showed action against fungi and bacteria, with bactericidal, bacteriostatic, or fungistatic function. Green brucite (NixMg1-x(OH)2) can be used as an inorganic pigment in white or colorless paints with a special biocidal property.

Although the contribution of the Indonesian batik industry is quite significant, its activities also lead to environmental damage. There is thus a need to develop procedures and tools to achieve sustainability and Green Industry Standards. Before doing so, it is important to conduct a systematic literature review regarding this topic. This study investigates the existing research and debates relevant to sustainability in the batik sector. Therefore, this study provides an understanding of responsible batik consumption and production activities. After reviewing 42 papers from 593 generated results, the batik production aspect is the most dominant aspect analysed by the papers, with production waste being the most-discussed topic. There are opportunities to update the research on the batik production aspect, enrich the discussion about the organisation and marketing aspects, and begin to examine the finance-related aspect regarding the sustainable batik theme.

The paper is an investigation on the impact of financial markets on the volatility of green bonds credit risk component, measured by the option-adjusted spread/swap curve (OAS) of the Global Bloomberg Barclays MSCI Green Bond Index, for both the non and pandemic periods. For these purpose, after observing the dynamic joint correlations between all the variables through a DCC-GARCH, we adopt GARCH(1,1) and EGARCH(1,1) models, putting the OAS as dependent variable. Our main results show that the conditional variance parameters are significant and persistent in both times, testifying the overall impact of the other markets on the OAS. In more detail, we highlight that the gamma in the two EGARCH models is positive: so the “green” credit risk volatility is more sensitive to positive shocks than negative ones. With reference to the conditional mean, we note that if during the non pandemic time only the stock market is significant, during the pandemic also conventional bonds and gold are impacting. To the best of our knowledge this is the first study that analyzes the specific credit risk component of green bond yields: we deem our findings useful to observe the change of green bonds creditworthiness in a complex market context.

Keywords: Green human resource management1; Green supply chain management2; Regulation and legislation3; Sustainable development goals4.

Green credit policy as an important tool to guide China's sustainable economic development, how to effectively play the function of capital deployment and improve the efficiency of industrial green innovation is an important issue facing the construction of ecological civilization. This paper uses China's Green Credit Guideline introduced in 2012 as a quasi-natural experiment , based on relevant panel data of industries from 2007 to 2018, uses the Super-SBM model including non-expected output to measure the green innovation efficiency of 35 industries in China, and constructs the PSM-DID model to explore how green credit policy impact on the green innovation efficiency of heavily polluted industries, the results show that : green credit policy significantly contributes to green innovation efficiency of heavily polluted industries with a lag. Further study finds that green credit policy pushes heavily polluted industries to improve green innovation efficiency by increasing financing cost and R&D investment; meanwhile, the heterogeneity test shows that the higher the state-owned share of industry, the greater the promoted effect of green credit policy on green innovation efficiency of heavily polluted industries. Finally, in order to accelerate the implementation of green credit policy and promote the green innovation efficiency of heavily polluted industries, relevant countermeasures are proposed from three aspects: banks, enterprises and government.

“Money has always been something of an embarrassment to economic theory. Everyone agrees that it is important; indeed, much of macroeconomic policy discussion makes no sense without reference to money. Yet, for the most part theory fails to provide a good account for it.” (Banerjee and Maskin, 1996, p. 955)The debate about whether or not a growth imperative exists in debt based, interest bearing mone- tary systems has not yet been settled. It is the goal of this paper to introduce a new perspective in this discussion.For that purpose an SFC computational model is constructed which simulates a post Keynesian Endogenous Money system without including economic parameters such as production, wages, consumption and savings. A case is made that isolating the monetary system allows for better analysis of the inherent properties of such a system.Loan demands, which are assumed to happen, are the driving force of the model. Simulations can be run in two modes, each based on a different assumption. Either the growth rate of the money stock is assumed to be constant or the loan rate, expressed as a percentage of the money stock, is assumed to be constant.Simulations with varying parameters are run in order to determine the conditions under which the model converges to stability, which is defined as converging to a bounded debt rate.The analysis shows that stability of the model is dependent on net bank profit ratios, expressed relative to their debt assets, remaining below the growth rate of the money stock. Based on these findings it is argued that the question about the existence of a growth imperative in debt based, interest bearing monetary systems needs to be reframed. The question becomes whether a steady state economy can realistically support such a system without destabilising it. In order to answer this question real world behavior of economic actors must be included in the model.It is concluded that there are indications that it might not be feasible for a steady state economy to support a stable debt based, interest bearing monetary system without strong interventions. However, more research is necessary for a definite answer. Real world observable data should be analysed through the lens of the presented model to bring more clarity.

Magnesium monofluoride is a polar molecule amenable to laser cooling which has caused renewed interest in its spectroscopy. In this work we consider the case of three low-lying electronic excitations, namely $\rm X \, {}^{2}\Sigma \to A \, {}^{2}\Pi, \ \to B \, {}^{2}\Sigma, \ \to C \,{}^{2}\Sigma$, using well developed quantum chemistry approaches, i.e., without reference to the spin-orbit splitting of the $\rm A \, {}^{2}\Pi$ states. Accurate experimental data for these transitions have been available for over 50 years. Here we explore the linear response method at the level of CC2 theory, as well as equation of motion methods at the level of CCSD and CC3, using two families of basis sets. Excellent agreement is obtained for the first three transitions when using the correlation-consistent basis sets and extrapolation to the complete basis limit within EOM-CC3 (at a relative precision of $10^{-4}$), and qualitative agreement for the other two methods. The purpose of this paper is to serve as a guide in how to approach the accurate calculation of excitations in polar diatomic molecules.

The fine chemical and pharmaceutical sectors are starting to advocate the use of flow chemistry due to reasons such as EHS, environmental, efficiency, cost saving and regulatory compliance. The use of trickle bed or fixed bed system could replace a batch autoclave typically used for hydrogenation reactions. However, there are few studies which detail the process from laboratory proof of concept through design to commercial realization. This study, using the production of 1,3-cyclohexanedione from catalytic hydrogenation of resorcinol as a case study demonstrates how the laboratory-scale recycle trickle bed can be used for catalyst screening and selection. Further, design data are generated by operation over a range of design superficial velocities and operating pressure that are used to derive a design correlation that is then used to specify a single stream plant at a level of definition consistent with a Preliminary Design for capital cost estimation. Finally, the further actions required in terms of data generation to increase the level of definition and confidence to a Sanction Grade or Final Design are discussed.

We describe the development and validation of a HPLC-MS/MS method to assess the pharmacokinetics and tumour distribution of fenretinide, a synthetic retinoid chemically related to all-trans-retinoic acid, after administration of a novel oral nanoformulation of fenretinide, called bionanofenretinide (BNF). BNF was developed to overcome the major limitation of fenretinide: its poor aqueous solubility and bioavailability due to its hydrophobic nature. The method proved to be reproducible, precise, and highly accurate for the measurement of the drug and the mains metabolites. The lower limit of quantification resulted 1 ng/mL. The curve range of 1-500 ng/mL and 50-2000 ng/mL, for plasma and tumor homogenate respectively, was appropriate for the analysis, as demonstrated by the accuracy between 96.8% and 102.4% for plasma and 96.6-102.3% for tumor. The inter-days precision and accuracy determined on quality controls at 3 different levels were in ranges of 6.9%-7.5% and 99.3-101.0% and 0.96-1.91% and 102.3-105.8% for plasma and tumour, respectively.

As part of valorisation of agricultural waste into bioactive compounds, a series of structurally novel oleanolic acid ((3β-hydroxyolean-12-en-28-oic acid, OA-1)-phtalimidines (isoindolinones) conjugates 18a-v bearing 1,2,3-triazole moieties were designed and synthesized by treating a previously azide 4 prepared from OA-1 isolated from olive pomace (Olea europaea L.) with a wide range of propargylated phtalimidines using the Cu(I)-catalyzed click chemistry approach. OA-1 and its newly prepared analogues 18a-v were screened in vitro for their antibacterial activity against two Gram-positive bacteria, Staphylococcus aureus and Listeria monocytogenes; and two Gram-negative bacteria, Salmonella thyphimurium and Pseudomonas aeruginosa. Attractive results were obtained notably against L. monocytogenes. Compounds 18d, 18g and 18h exhibited the highest antibacterial activity when compared with OA-1 and other compounds in the series against tested pathogenic bacterial strains. Molecular docking study was performed to explore the binding mode of the most active derivatives against the target protein from L. monocytogenes. Results showed the importance of both hydrogen bonding and hydrophobic interactions with the target protein and are in favor to the experimental data.

The central dogma of molecular biology dictates that, with only a few exceptions, information proceeds from DNA to protein through an RNA intermediate. Examining the enigmatic steps from prebiotic to biological chemistry, we take another road suggesting that primordial peptides acted as template for the self-assembly of the first nucleic acids polymers. Arguing in favour of a sort of archaic “reverse translation” from proteins to RNA, our basic premise is a Hadean Hearth where key biomolecules such as amino acids, polypeptides, purines, pyrimidines, nucleosides and nucleotides were available under different prebiotically plausible conditions, including meteorites delivery, shallow ponds and hydrothermal vents scenarios. Supporting a protein-first scenario alternative to the RNA world hypothesis, we propose the primeval occurrence of short peptides termed “selective amino acid- and nucleotide-matching oligopeptides” (henceforward SANMAOs) that noncovalently bind at the same time the polymerized amino acids and the single nucleotides dispersed in the prebiotic milieu. We describe the chemical features of this hypothetical oligopeptide, its biological plausibility and its virtues from an evolutionary perspective. We provide a theoretical example of SANMAO’s selective pairing between amino acids and nucleosides, simulating a poly-Glycine peptide that acts as a template to build a purinic chain corresponding to the glycine’s extant triplet codon GGG. Further, we discuss how SANMAO might have endorsed the formation of low-fidelity RNA’s polymerized strains, well before the appearance of the accurate genetic material’s transmission ensured by the current translation apparatus.

The chemical graph theory is a subfield of mathematical chemistry which applies classic graph theory to chemical entities and phenomena. Chemical graphs are main data structures to represent chemical structures in cheminformatics. Computable properties of graphs lay the foundation for (quantitative) structure activity and structure property predictions - a core discipline of cheminformatics. It has a historic relevance for natural sciences, such as chemistry, biochemistry and biology, and is in the heart of modern disciplines, such as cheminformatics and bioinformatics. This review first covers the history of chemical graph theory, then provides an overview of its various techniques and applications for CASE, and finally summarises modern tools using chemical graph theory for CASE.

Cross coupling reactions have changed the way complex molecules are synthesized. In particular, Suzuki-Miyaura and Buchwald-Hartwig amination reactions have given opportunities to elegantly make pharmaceutical ingredients. Indeed, these reactions are forefront at both the stages of drug development, medicinal chemistry, and process chemistry. On one hand, these reactions have given medicinal chemists a tool to derivatize the core molecule to arrive at scaffold rapidly. On the other hand, these cross couplings have offered the process chemists a smart tool to synthesize the development candidates safely, quickly, and efficiently. Generally, the application of cross coupling reactions is broad, and this review will specifically focus on their real (pharma) world applications in large scale synthesis those appeared in last two years.

Increasing the metacognitive abilities of chemistry students is an indisputable output of the teaching and learning process today. Collaborative problem based learning is a learning method that has been tested and proven to be applied, especially in Western countries in increasing the metacognitive abilities of students, but it is still very minimal applied in Asian countries, including Indonesia. Thus, this study was conducted to explore previous studies that examined collaborative problem-based learning in improving students' metacognitive abilities. The research design used in this study is a Systematic Literature Review with the requirements of the inclusion of articles on collaborative problem-based learning in improving the metacognitive abilities of chemistry students, accredited national and international publications between 2010 and 2020, full text, journal articles, and open access. The results of the exploration that were carried out found 102 articles, then the title and abstract were read into 20 articles, and 4 articles were read in full, which fulfilled all the stipulated inclusion requirements. The results of the systematic literature review conducted in this study provide empirical evidence of literacy that problem based learning improves the metacognitive abilities of chemistry students. However, most of research conducted still uses various instruments, which are not standardized and validated.

Nanographene oxide (GOn) constitutes a nanomaterial of high value in the biomedical field. However, large scale production of highly stable aqueous dispersions of GOn is yet to be achieved. In this work, we explored high-power ultrasonication as a method to reduce particle size of GO and characterized the impact of the process in the physico-chemical properties of the material. GOn was obtained with lateral dimensions of 99 ±43 nm and surface charge of −39.9 ± 2.2 mV. High-power ultrasonication enabled an improvement of stability features, particularly by resulting in a decrease of the average particle size, as well as zeta potential, in comparison to GO obtained by low-power exfoliation and centrifugation (287 ± 139 nm; −29.7 ± 1.2 mV). Re-markably, GOn aqueous dispersions were stable for up to 6 months of shelf-time, with a global process yield of 74%. This novel method enabled the production of large volumes of highly con-centrated (7.5 mg mL-1) GOn aqueous dispersions. Chemical characterization of GOn allowed the identification of characteristic oxygen functional groups, supporting high-power ultrasonication as a fast, efficient and productive process for reducing GO lateral size, while maintaining the material’s chemical features.

CoVID-19 is a multi-symptomatic disease which has made a global impact due to its ability to spread rapidly, and its relatively high mortality rate. Beyond the heroic efforts to develop vaccines, which we will not discuss, the response of scientists and clinicians to this complex problem has reflected the need to detect CoVID-19 rapidly, to diagnose patients likely to show adverse symptoms, and to treat severe and critical CoVID-19. Here we aim to encapsulate these varied and sometimes conflicting approaches and the resulting data in terms of chemistry and biology. In the process we highlight emerging concepts, and potential future applications that may arise out of this immense effort.

With the aim of profitable conversion of carbon dioxide (CO2) in an efficient, economical and sustainable manner, we developed a CuBr/ionic liquid (1-butyl-3-methylimidazolium acetate) catalytic system which could efficiently catalyze the three-component reactions of propargylic alcohols, 2-aminoethanols, and CO2 to produce 2-oxazolidinones and α-hydroxy ketones. Remarkably, this catalytic system employed lower metal loading (0.0125-0.5 mol%) but exhibited the highest turnover number (2960) ever reported, demonstrating its excellent activity and sustainability. Moreover, our catalytic system could efficiently work under 1 atm of CO2 pressure and recycle among the metal-catalyzed systems.

Meprin α is a zinc metalloproteinase (metzincin) that has been implicated in multiple diseases, including fibrosis and cancers. It has proven difficult to find small molecules that are capable of selectively inhibiting meprin α, or its close relative meprin β, over numerous other metzincins which, if inhibited, would elicit unwanted effects. We recently identified possible molecular starting points for meprin α-specific inhibition through an HTS effort (see part I, preceding paper). In part II we report the optimization of a potent and selective hydroxamic acid meprin α inhibitor probe which may help define the therapeutic potential for small molecule meprin α inhibition and spur further drug discovery efforts in the area of zinc metalloproteinase inhibition.

Ammonia (NH3), the most prevalent alkaline gas in the atmosphere, plays a significant role in PM2.5 formation, atmospheric chemistry, and new particle formation. This paper reviews quantification of [NH3] through measurements, satellite-remote-sensing, and modeling reported in over 500 publications towards synthesizing current knowledge of [NH3], focusing on spatiotemporal variations, controlling processes, and quantification issues. Most measurements are through regional passive sampler networks. [NH3] hotspots are typically over agricultural regions like the Midwest US and North China Plain, with elevated concentrations reaching monthly averages of 20 and 74 ppbv, respectively. Topographical effects dramatically increase [NH3] over the Indo-Gangetic Plains, North India and San Joaquin Valley, US. Measurements are sparse over oceans, where [NH3] ≈ few tens of ppbv, variations of which can affect aerosol formation. Satellite-remote-sensing (AIRS, CrIS, IASI, TANSO-FTS, TES) provides global [NH3] quantification in the column and at surface since 2002. Modeling is crucial for improving understanding of NH3 chemistry and transport, its spatiotemporal variations, source apportionment, exploring physicochemical mechanisms, and predicting future scenarios. GEOS-Chem (global) and FRAME (UK) models are commonly applied for this. A synergistic approach of measurements↔satellite-inference↔modeling is needed towards improved understanding of atmospheric ammonia, of concern from the standpoint of human health and the ecosystem.

Among extensive studies on click chemistry the inverse electron-demand Diels-Alder reaction between 1,2,4,5-tetrazine (Tz) and trans-cyclooct-2-en (TCO) has gained increasing attraction due to its exceptionally fast reaction kinetics and high selectivity for in vivo pretargeting applications including PET imaging. The facile two-step approach utilizing TCO-modified antibodies as targeting structures has not made it into clinic though as the increase in blood volume from mice to human seems to be the major limitation. This study aimed to show if the design of multimeric Tz-ligands by chelator scaffolding can improve the binding capacity and may lead to enhanced PET imaging with gallium-68. For this purpose we utilized the macrocyclic siderophore Fusarinine C (FSC) which allows to conjugate up to three Tz-residues due to three primary amines available for site specific modification. The resulting mono- di- and trimeric conjugates were radiolabelled with gallium-68 and characterized in vitro (logD, protein binding, stability, binding towards TCO modified rituximab (RTX)) and in vivo (biodistribution- and imaging studies in normal BALB/c mice using a simplified RTX-TCO tumour surrogate). The 68Ga-labelled FSC-based Tz-ligands showed suitable hydrophilicity, high stability, high targeting specificity and the binding capacity to RTX-TCO was increased by the grade of multimerization. Corresponding in vivo studies showed a multimerization typical profile but generally suitable pharmacokinetics with low accumulation in non-targeted tissue. Imaging studies in RTX-TCO tumour surrogate bearing BALB/c mice confirmed this trend and revealed improved targeting by multimerization as increased accumulation in RTX-TCO positive tissue was observed.

Shielding agents are commonly used to shield polyelectrolyte complexes, e.g. polyplexes, from agglomeration, precipitation in complex media, like blood, and thus enhance their circulation times in vivo. Since up to now primarily poly(ethylene glycol) (PEG) has been investigated to shield non-viral carriers for systemic delivery, we report on the use of polysarcosine (pSar) as a potential alternative for steric stabilization. A redox-sensitive, cationizable lipo-oligomer structure (containing two cholanic acids attached via a bioreducible disulfide linker to an oligoaminoamide backbone in T-shape configuration) was equipped with azide-functionality by solid phase supported synthesis. After mixing with small interfering RNA (siRNA), lipopolyplexes formed spontaneously and were further surface-functionalized with polysarcosines. Polysarcosine was synthesized by living controlled ring-opening polymerization using an azide-reactive dibenzo-aza-cyclooctyne-amine as an initiator. The shielding ability of the resulting formulations was investigated with biophysical assays and by near-infrared fluorescence bioimaging in mice. The modification of ~100 nm lipopolyplexes was only slightly increased upon functionalization. Cellular uptake into cells was strongly reduced by the pSar shielding. Moreover, polysarcosine-shielded polyplexes showed enhanced blood circulation times in bioimaging studies compared to unshielded polyplexes and similar to PEG-shielded polyplexes. Therefore, polysarcosine is a promising alternative for the shielding of non-viral, lipo-cationic polyplexes.

Choice of the salts of therapeutic agents or active pharmaceutical ingredients (API) is based on the physicochemical properties of API and the dosage form considerations. The appropriate salt can have positive effect on overall therapeutic and pharmaceutical effects of API. However, the incorrect salt form can negatively affect the overall pharmaceutical outcomes of the API. This review addresses various criteria for choosing appropriate salt form along with the effect of salt forms on API’s pharmaceutical properties. In addition to comprehensive review of the criteria, this review also gives a brief historic perspective of the salt selection process.

Based on a new model of a possible origin of life, we establish an efficient and stable system undergoing structural reproduction, self-optimization and molecular evolution. This system is being formed under realistic conditions by the interaction of two cyclic processes, one of which offering vesicles as the structural environment, the other supplying peptides from a variety of amino acids as versatile building blocks. We demonstrate that structures growing in a combination of both cycles have the potential to support their own existence, to undergo chemical and structural evolution and to develop unpredicted functional properties. The key mechanism is the mutual stabilization of the peptides by the vesicles and of the vesicles by the peptides together with a constant production and selection of both. The development of the proposed system over time not only would represent one of the principles of life, but could also be a model for the formation of self-evolving structures ultimately leading to the first living cell. The experiment yields clear evidence on a vesicle-induced accumulation of membrane-interacting peptide which could be identified by liquid chromatography combined with high-resolution mass spectroscopy. We found that the selected peptide has an immediate effect on the vesicles, leading to i) reduced vesicle size, ii) increased vesicle membrane permeability, and iii) improved thermal vesicle stability.

A basic problem in all postulated pathways of prebiotic chemistry is the low concentration which generally is expected for interesting reactants in fluid environments. Even though compounds like nucleobases, sugars or peptides principally may form spontaneously under environmental conditions, they will always be rapidly diluted in an aqueous environment. In addition, any such reaction leads to side products which often exceed the desired compound and generally hamper the first steps of a subsequent molecular evolution. Therefore, a mechanism of selection and accumulation of relevant prebiotic compounds seems to be crucial for molecular evolution. A very efficient environment for selection and accumulation can be found in the fluid continuum circulating in tectonic fault zones. Vesicles which form spontaneously at a depth of approximately 1 km present a selective trap for amphiphilic molecules, especially for peptides composed of hydrophilic and hydrophobic amino acids in a suitable sequence. The accumulation effect is shown in a numeric simulation on a simplified model. Further, possible mechanisms of a molecular evolution in vesicle membranes are discussed. Altogether, the proposed scenario can be seen as an ideal environment for constant, undisturbed molecular evolution in and on cell-like compartments, the latter offering preferential starting conditions for a subsequent RNA world.

The purpose of this study was to arrange a green roof on a sheet metal house to achieve winter heat preservation and summer thermal insulation using different plants and soil media, and to maintain the advantage of cost-saving and quick installation of sheet metal houses. In terms of the research method, the roof insulation, heat preservation and plant growth index were tested. Plants were grown in 10 container-type green roofs on the sheet metal house roof, and the physical environment of the building was monitored for one year. Five containers of commercially-available culture soil and five containers of sustainable composite were used as the media for growing five kinds of plants, respectively. The control group only had a sheet metal house roof. There were 11 experimental modules for testing whether the green roofs had thermal insulation, heat preservation and plant growth effects on a general sheet metal house. The results showed that, regarding the thermal insulation benefit assessment, the Sedum acre cv. robustum of green roof Groups B to D caused the temperature to be 38.29°C lower than the surface of the simple sheet metal house roof in August, showing a temperature difference of 54%.

Introduction: Various studies have widely documented how weight (being overweight, underweight or obese) plays a significant role in increasing health problems and adversely affects the quality of life. Out of all the weight-related issues, obesity is the number one contributing factor for causing health problems. To overcome this factor, a trial was conducted where a drug 'Lite plus’ (Garcinia Cambogia and Green Coffee bean) was given to a select number of people for a period of three months. Materials and Methods: 'Lite Plus' is a drug which contains Garcinia cambogia 500 mg + Green Coffee Bean Extract 400 mg, with a recommended dosage of 2 tablets/day with or before meals for 3 months. Most of the patients included in our study were females suffering from obesity-related problems such as PCOs and Infertility. During the trial, all patients were given the recommended dosage of 'Lite plus', while those with diabetes had the dose amended accordingly. Results: As a result of this trial, it was found that the use of 'Lite Plus' was very effective in decreasing weight/BMI with continuous use. After 6 weeks, out of the 250 respondents participating in the trial, 232 got a reduction in their BMI, and after 12 weeks (end of the trial), 29 respondents (11.6%) reached the desired level of BMI. Conclusion: Garcinia cambogia and Green Coffee bean are effective and safe in weight reduction.

An opinion dependent cross sectional survey was conducted among charland peoples of Noakhali, Bangladesh with a view to identify the factors that affect green economy. Nijhumdwip Island and Tamaruddi union are highly affected by cyclone and soil salinity. Unpredictable rainfall is the most acute in Nijhumdwip. Lack of information the main problem in Nijhumdwip Island. Farmers are found less interest in integrated farming and crop diversification. Few farmers from Sonadia Union are involved in homestead gardening. Regression analysis have shown a negative relationship (p<0.001) between education of stockholders and decrease of crop production. On the other hand education level of stockholders is to be found positively (p<0.05) varied with decrease of food insecurity. So it can be said that educated farmers are more adaptive against climate change.

The purpose of this paper is to analyze how Green Business Models (BMs) established by small and medium enterprises (SMEs) can incorporate product and process decarbonization in their components (value proposition, creation and capture) and to what extent this incorporation is affected by SME size. We use a database comprising 1,161 observations of SMEs, 466 in 2014 and 695 in 2016. The results show that SMEs’ value propositions give an intermediate valuation to both legally required and voluntary reduction of environmental impact, irrespective of SME size and the year analyzed. Regarding value creation, SMEs adopt practically no environmental practices, and there are significant differences according to size, with more difficulties than advantages stemming from small size. The study also shows that such environmental practices are not effective in reducing carbon. This diagnosis indicates that SMEs need help from the administration if they are to play a key role in the process of transformation toward a low-carbon economy. Legislative actions involving harsher environmental protection measures might help shape value propositions that place greater importance on reducing environmental impact, whereas training actions on available environmental techniques, promotion of research on how to adapt such techniques to SMEs and the development of specific practices for SMEs might enhance environmental value creation and capture in their BMs.

Green spaces take part a vital role in reducing the harmful effects occurred through the process of rapid urbanization. This study focuses on evaluating the change of green space and per capita green space in Colombo District, Sri Lanka in between 2008 and 2015 using Landsat images. The NDVI differencing method and classification method were used to detect the change of land cover. According to the results, a gradual decline of green space from 629.1km2 to 591.16km2 with a rate of 6.03% can be depicted. The change is considerable in Kaduwela, Moratuwa and Maharagama DSDs and quite better in the areas such as Avissawella, Homagama and Padukka. The per capita green space has been decreased from 272.361 m2 to 248.811 m2. Though these rates are very well higher than the UN, EU and WHO standards for the district, Colombo DSD do not comply with UN and EU standards. The case would turn into worst in 2025, as the predictions with current rates. Therefore, the study recommends taking immediate actions to make a greener city. Further, a tax system is proposed to get the attraction of the general public.

There has been a growing awareness of the need to implement environmentally friendly operations in the hotel industry, but most studies focus on guest behaviors. Only a few studies investigate employees’ willingness to comply with hotels’ green practices. This study seeks to further the investigation from the human resource perspective. Using alumni from a tourism and hospitality programs, this study collected 233 responses. The study hypothesizes that the employees’ green ability consisting of environmental awareness, environmental knowledge, and environmental skill creates a positive impact on hotels’ green ability. The results indicate that employees contribute approximately a fifth of hotels’ ability to implement greener practices.

This is a paper on Political Economic and Economic Policies into the European Green Deal framework and the Spanish recovery plan, with special attention to the tourism sector. First, there is a literature review, combining the scientific production with professional and institutional literature, to understand the topic development, from the former restrictive point to the current view at large. Second, it is offered a case study about the green jobs opportunity, according to wellbeing economics, for the Spanish tourism sector renewal. The paper provides valuable information to improve sectorial recovery plan, to coordinate the policymakers and the business managers and entrepreneurs.

Huge amounts of chitin and chitosans can be found in the biosphere as important constituent of the exoskeleton of many organisms, as well as waste by worldwide seafood companies. Nowadays, politicians, environmentalists, and industrialists encouraged the use of these marine polysaccharides as renewable source, particularly when developed by alternative eco-friendly processes, especially in the production of regular cosmetics. The aim of this review is to outline the physicochemical and biological properties and the different bioextraction methods of chitin and chitosans sources, focusing on enzymatic deproteinization, bacteria fermentation, and enzymatic deacetylation methods. Thanks to their biodegradability, non-toxicity, biocompatibility, and bioactivity, the application of these marine polymers is widely used in the contemporary manufacturing of biomedical and pharmaceutical products. In the end, advanced cosmetic products based on chitin and chitosans are presented, analyzing different therapeutic aspects about skin, hair, nail, and oral care. The innovative formulations described can be considered as excellent solutions regarding problems in the various body anatomical sectors.

As a combination of both concepts of innovation and environmental development, green innovation is of great significance to the sustainable development of the country and industry. Previous literatures have found the separate roles of green entrepreneurial orientation and inter-organizational learning in understanding green innovation issues. However, few studies have done a comprehensive analysis of integrating three streams of research: green entrepreneurial orientation, green innovation and supply chain learning capability. Based on the resource-based view and dynamic capability theory, we examine the direct of green entrepreneurial orientation on green innovation as well as indirect effect through the mediation of supply chain learning capability. Meanwhile, an empirical data set of 228 manufacturing companies in China (Shaanxi, Guangdong, Hebei, Jiangsu, and Shandong) was used to test our hypotheses. Findings from our empirical study suggest that supply chain learning capability partially mediates the positive relationships between green entrepreneurial orientation and its two consequences—green incremental innovation and green radical innovation. In addition, this research implies that when enterprise has a strong green entrepreneurial orientation, the enterprise should make an effort to enhance the level of supply chain learning capability so as to fully develop their green innovation.

Supramolecular structures with specific applications are a pillar in several areas of science. Thus, from a contemporary point of view, there are several reasons to feel inclined to cover a systematic, or historic critique of the supramolecular concept itself. First, the idea of a supramolecular material seems more secure now than it was decades ago. Second, updating the interacting of MOFs and supramolecular chemical and conversely, supramolecularity to assemble MOFs and to make ef-ficient complex systems in multiple cutting-edge applications. Third, we should here simply confine to a consideration of how workers in this field have tried to correlate the notion of the idea of supramolecular systems linking self-assembly considerations. Thereby, this is clearly an ad-vantage that optimized geometries obtained on the conductive bases described that undoubtedly, some of these systems have substantial applications and create a significant practical interest. The outline of this review encompasses a general introduction to MOFs and supramolecularity, the key unit of the study presented here, followed by a survey of recent advances in supramolecular chemistry in confined space, relationships of MOFs with the supramolecular chemistry, electro-chemical synthesis of MOFs, and switchable MOFs. Finally, some discussion on possible future perspectives of this field is given.

Artificial intelligence (AI) chatbots are the latest advance in information technology. They are next-word predictors built on large language models (LLM) that offer the possibility to process and generate information. In this theoretical article, we provide educational insights of the possibilities and challenges of educational usage of AI chatbots. The insights were produced in the context of chemical information-seeking activities designed for chemistry teacher education. The analysis was conducted via a SWOT approach using technological pedagogical content knowledge framework (TPACK) to improve the accuracy. The analysis revealed several internal and external possibilities and challenges. The key insight is that AI chatbots will change the way people interact with information. For example, they enable the building of personal learning environments with ubiquitous access to information and AI tutoring. Their ability to support chemistry learning is impressive. However, processing of chemical information reveals the limitations of current AI chatbots not being able to process multimodal chemical information. There are also ethical issues to address. Despite the benefits, wider educational adoption of AI chatbots will take time. The obstacles hindering the adoption of AI chatbots can be removed, for example, through integrating LLMs to curricula, focusing on open-source solutions, and training teachers with modern information literacy skills. This research presents theory-grounded examples of how to support the development of modern information literacy skills in chemistry teacher education. Based on the conducted analysis, we predict that AI chatbots will be a major technological change agent towards inclusive and equitable quality lifelong learning for all.

High surface area carbon was obtained from -carrageenan – urea cryogels doped with 1.25 – 5 wt% graphene oxide (GO). Incorporation of GO resulted in multifaceted modification in the textural and chemical properties of the carbon cryogel. The thermal decomposition of GO facilitated the formation of micropores resulted in a substantial increase in the apparent surface area (up to 1780 m2/g). The annealing at 1000 °C removed part of the heteroatoms but left behind a high number of defects. While the volatile thermal degradation products of GO affected the porous texture and the surface chemistry in a complex way, its reduced residue resulted in a gradually increasing electrical conductivity. The influence of GO was studied in oxygen reduction reaction (ORR) and in Li-ion storage application. GO affected the electron transfer mechanism in the ORR tests and challenged the stability of the electrodes. Even if the electrode has been stabilized under oxygen-free conditions, later may undergo destabilization processes during the ORR. The 5 wt% GO doped sample was the most sensitive under oxidative conditions, but finally it exhibited the highest capacitance. In the Li-ion battery tests the coulombic efficiency of all the samples was consistently above 98 %, indicating the great potential of such carbons for efficient Li-ion insertion and reinsertion during the charge – discharge process, thereby providing a promising alternative for graphite-based anodes. The cell from the 1.25% sample showed an initial discharge capacity of 313 mAh/g, 95.1 % capacity retention and 99.3 % coulombic efficiency after 50 charge – discharge cycles.

With the rapid development of urbanization, the chemical evolution of groundwater is significantly affected by human activities. However, the driving mechanisms of groundwater chemical evolution at different stages of urbanization remain unclear, severely impacting the implementation of groundwater protection. This study investigated the driving mechanisms of groundwater chemical evolution based on the long-term series (from 1985 to 2015) of hydrochemical data from 19 groundwater monitoring sites in rapidly urbanizing areas (Shijiazhuang, Hebei Province, China). The results show that the concentrations of various chemical components in groundwater gradually increase with the acceleration of urbanization process, especially NO3-, which has increased from 13.7 mg/L in the primary stage of urbanization (PSU) to 65.1mg/L in the advanced stage of urbanization (ASU), exceeding the WHO drinking water standard (50mg/L), indicating that the groundwater chemistry has been significantly affected by human activities. It is interesting to find that the main hydrochemical types have changed from HCO3•SO4-Ca•Mg type water in the PSU to SO4•HCO3-Ca•Mg type water in the ASU. It is worth noting that there were obvious differences in driving factors of groundwater chemical evolution at different urbanization stages. In the PSU, the driving factors of groundwater chemical evolution were carbonate and rock salt dissolution, cation exchange, and industrial activities. However, in the intermediate stage and advanced stage, the driving factors of groundwater chemical evolution were changed to carbonate and gypsum dissolution, groundwater over-exploitation, agricultural fertilization, and domestic sewage. Based on the above conclusions, it is suggested that future groundwater management should control the amount of agricultural fertilizers, apply scientific fertilization, and prohibit the discharge of various types of non-compliant sewage, while strengthening the supervision of groundwater extraction to reduce the impact of urbanization development on the groundwater chemical evolution process.

Three new tetraphenylethene (TPE) push-pull chromophores exhibiting strong intramolecular charge transfer (ICT) are described. They were obtained via [2+2] cycloaddition - retroelectrocyclization (CA-RE) click reactions on an electron-rich alkyne-tetrafunctionalized TPE (TPE-alkyne) using both 1,1,2,2-tetracyanoethene (TCNE), 7,7,8,8-tetracyanoquinodimethane (TCNQ) and 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ) as electron-deficient alkene. Only the starting TPE-alkyne displayed a significant AIE behavior, whereas for TPE-TCNE,a faint effect was observed and for TPE-TCNQ and TPE-F4-TCNQ, no fluorescence was observed in any conditions. The main ICT bands that dominate the UV-Visible absorption spectra underwent a pronounced red-shift beyond the near-infrared (NIR) region for TPE-F4-TCNQ. Based on TD-DFT calculations, it was shown that the ICT character shown by the compounds exclusively originated from the clicked moieties independently of the nature of the central molecular platform. Photothermal (PT) studies conducted on both TPE-TCNQ and TPE-F4-TCNQ in the solid state revealed excellent properties, especially for TPE-F4-TCNQ. These results indicated that CA-RE reaction of TCNQ or F4-TCNQ with donor-substituted are promising candidates for PT applications.

Despite the recent advances in melanoma therapy, the need for new targets and novel approaches to therapy is urgent. We previously reported melanoma actives that work via binding and downregulating spliceosomal proteins hnRNPH1 and H2 (Palrasu et al., 2019). Given lack of knowledge about side effects of using spliceosomal binders in humans, an acute toxicity study was conducted to evaluate these compounds in mice. Male and female mice were treated with compounds 2155-14 and 2155-18 at 50mg/kg/day via subcutaneous injections and the clinical signs of distress were monitored for 21 days and compared with control mice. Additionally, effect of the leads on blood chemistry, blood cell counts, and organs was evaluated. No significant changes were observed in the mice body weight, blood cell count, blood chemistry, or organs following the compound treatment. The results show that our compounds 2155-14 and 2155-18 are not toxic for the study period of three weeks.

All living organisms require some metal ions for their energy production as well as metabolic and biosynthetic processes. Within cells, metal ions are involved in the formation of adducts interact with metabolites and macromolecules (proteins and nucleic acids). The proteins that require binding to one or more metal ions to be able to carry out their physiological function are called metalloproteins. About one third of all protein structures in the Protein Data Bank involve metalloproteins. Over the past few years there has been a tremendous progress in the number of computational tools and techniques making use of 3D structural information to support the investigation of metalloproteins. This trend has been boosted also by the successful applications of neural networks and deep learning approaches in molecular and structural biology at large. In this review, we discuss recent advances in the development and availability of resources dealing with metalloproteins from a structure-based perspective. We start by addressing tools for the prediction of metal-binding sites (MBSs) using structural information on apo-proteins. Then, we provide an overview of methods for and lessons learned from the structural comparison of MBSs in a fold-independent manner. We then move to describing databases of metalloprotein/MBS structures. Finally, we summarize recent DL applications enhancing the functional interpretation of metalloprotein structures.

Recently, it was proposed that the thiophene ring is capable of promoting mitochondrial accumulation when linked to fluorescent markers. As a noncharged group, thiophene presents several advantages from a synthetic point of view, making it easier to incorporate such a side moiety into different molecules. Herein, we confirm the general applicability of thiophene group as mitochondrial carrier for drugs and fluorescent markers, based on a new concept of nonprotonable, noncharged transporters. We implemented this concept in a medicinal chemistry application by developing an anti-tumoral, metabolic chimeric drug, based on PDHK inhibitor dichloroacetate (DCA). The promising features of the thiophene moiety as a noncharged carrier for targeting mitochondria may represent a starting point for the design of new metabolism-aimed drugs.

A series of dinuclear copper(I) N,C,N- and P,C,P-carbodiphosphorane (CDP) complexes using multidentate ligands CDP(Py)2 (1) and (CDP(CH2PPh2)2 (13) have been isolated and characterized. Detailed structural information was gained by single crystal XRD analyses of nine representative examples. The common structural motive is the central double ylidic carbon atom with its characteristic two lone-pairs involved into binding of two geminal L-Cu(I) fragments at Cu-Cu distances in the range 2.55 – 2.67 Å. In order to enhance conformational rigidity within the characteristic Cu-C-Cu triangle, two types of chelating side arms were symmetrically attached to each phosphorus atom: two 2-pyridyl functions in ligand CDP(Py)2 (1) and its dinuclear copper complexes 2-9 and 11, as well as two diphenylphosphinomethylene functions in ligand CDP(CH2PPh2)2 (13) and its di- and mononuclear complexes 14-18. Neutral complexes were typically obtained via reaction of 1 with Cu(I) species CuCl, CuI, and CuSPh or via salt elimination reaction of [(CuCl)2(CDP(Py)2] (2) with sodium carbazolate. Cationic Cu(I) complexes were prepared upon treating 1 with two equivalents of [Cu(NCMe)4]PF6, followed by the addition of either two equivalent of an aryl phosphine (PPh3, P(C6H4OMe)3) or one equivalent of a bisphosphine ligands DPEPhos, XantPhos or dppf. For the first time carbodiphosphorane CDP(CH2PPh2)2 (13) could be isolated upon treating its precursor [CH(dppm)2]Cl (12) with NaNH2 in liquid NH3. A protonated and a deprotonated derivative of ligand 13 were prepared and their coordination was compared to neutral CDP ligand 13. NMR analysis and DFT calculations reveal, that the most stable tautomer of 13 does not show a CDP (or carbone) structure in its uncoordinated base form. For most of the prepared complexes, photoluminescence upon irradiation with UV light at room temperature was observed. Quantum yields (PL) were determined to 36% for dicationic [(CuPPh3)2(CDP(Py)2)](PF6)2 (4) and to 60% for neutral [(CuSPh)2(CDP(CH2PPh2)2] (16).

The surface chemistry and the morphology of SnO2 nanowires, deposited by Vapour Phase Deposition (VPD) method on Au-covered silicon substrate, were studied before and after subsequent air exposure. For this purpose, surface-sensitive methods including X-ray Photoelectron Spectroscopy (XPS), Thermal Desorption Spectroscopy (TDS) and the Scanning Electron Microscopy (SEM) were applied. The studies presented within this paper allowed to determine the surface non-stoichiometry combined with the presence of carbon contaminations, in a good correlation with the surface morphology. The relative concentrations of the main components [O]/[Sn]; [C]/[Sn]; [Au]/[Sn] together with the O – Sn; O – Si bondings were analyzed. The results of TDS remained in a good agreement with the observations from XPS. Moreover, conclusions obtained for SnO2 nanostructures deposited with the use of Au catalyst were compared to the previous obtained for Ag-assisted tin dioxide nanowires. The information obtained within this studies are of great importance for the potential application of SnO2 nanowires deposited on Au covered Si substrate in the field of novel chemical nanosensor devices, since the results can provide an interpretation of how aging effects influence gas sensor dynamic characteristics.

This paper describes the feasibility and probable benefits associated with greening the Tahliah Channel, a concrete drainage channel that was originally built to relieve urban flooding in Jeddah City, Saudi Arabia. It includes an estimation of irrigation needs for channel greening based on a standardized planting specification. The study also demonstrates alternative strategies for meeting the required irrigation demand, including water harvesting and graywater reuse on a residential scale. The study shows that greening Tahliah Channel is possible relying mainly on graywater reuse from the surrounding buildings. Also, the study shows that rainwater harvesting is not a reliable source for irrigation. Rather, it can cover only part of the irrigation needs (6%) and so can be used as a secondary supporting source. The positive results of this case study will be of interest to those in arid countries who are looking to upgrade and replace traditional, single function drainage infrastructure with more sustainable, green infrastructure systems. More specifically, the objectives of the study are consistent with the goals of the Saudi government’s ongoing initiative that advocates for more resilient and sustainable cities. (Vision 2030 year).

Many cities are increasingly adopting blue-green infrastructure (BGI) to bolster resilience against environmental challenges. Beyond its well-acknowledged environmental benefits, the role of BGI in enhancing social resilience is becoming an equally important area of focus. However, the integration of BGI to foster social resilience presents complexities, stemming from the evolving and occasionally ambiguous definition of social resilience. Considering the broad application of BGI across various disciplines makes the evaluation of social resilience within a BGI framework complex. Consequently, a structured approach to develop a clear framework tailored to understanding and measuring social resilience in a BGI setting is needed. This study consolidates various existing frameworks of social resilience, especially utilizing the detailed 5S framework proposed by Saja et al. [1]. It integrates findings from an extensive review of literature on social resilience to develop a novel conceptual framework, the BGI Social Resilience Framework. This new framework specifically aims to capture the distinct social aspects and advantages associated with BGI. The BGI Social Resilience Framework is organized into a three-tier model focusing on four critical aspects of social resilience—social values, social capital, social structure, and social equity—and explores how these aspects are interconnected. Characteristics and indicators are customized to accomodate the BGI context in a way that integrates the physical and human dimensions within a comprehensive approach to measurement that uses a combination of qualitative and quantitative methods. Specifically, this research formulates a theoretical framework for BGI with the aim of investigating BGI strategies and viewpoints that bolster social resilience. The BGI Social Resilience Framework takes into account the varied demographics and the physical characteristics of urban areas to explore ways to create BGI spaces that are more inclusive and contribute to the enhancement of social resilience.

Extensive green roofs provide for many ecosystem services in urban environments. The efficacy of these services is influenced by the substrate characteristics and vegetational composition. Despite their key role in plant performance and productivity, or their contribution to nitrogen fixation or carbon sequestration, green roof microbial communities have received little attention so far. Here, we investigated whether microbial communities in extensive green roof substrates contain a core community, as well as whether they are affected by green roof plant diversity. Eleven green roofs, planted either with a mixture of grasses, wildflowers and succulents (Sedum spp.), or solely species of Sedum, were seasonally sampled to investigate prokaryotic and fungal communities via metabarcoding. Although Sedum-herbs-grasses roofs contained more plant species, we observed no discriminant microbial communities between both roof types, likely due to sharing the same substrate textures and the vegetational layers that became more similar throughout time. Examining key microbial taxa revealed that most taxa are also dominant phylotypes in soils across different biomes. Many bacterial core taxa are capable of nitrogen fixation and most fungal key taxa are stress-tolerant saprotrophs, endophytes, or both. Microbial community composition further revealed high similarities with aerial samples taken in urban environments. Considering the extreme edaphic conditions that periodically arise in green roof substrates, further investigation is warranted to determine the extent to which the dynamic and intriguing microbial communities are influenced by the aeromicrobiome.

The concept of Green Human Resource Management (GHRM) is regarded as a major turning point in managing human capital among firms. Sustainable practices, ecofriendly initiatives, and adequate management of employees (i.e. recruitment, training, performance, rewards, and involvement) are fundamental aspects of GHRM, which enable improvements in the performance of firms and enhanced competitiveness among their rivals. In this regard, the current study takes a quantitative approach towards analyzing GHRM practices and their effects on employee retention among hotels of UAE. Furthermore, the indirect effect of green innovation is analyzed as a potential mediating variable that can better explain the GHRM-employee retention relationship. A total of 207 employees from five 5*-hotels were selected as participants to provide information regarding the factors under examination in this research. The collected data is analyzed using Smart-PLS v.3 and via PLS-SEM technique. The perspective of employees on the outcome of GHRM initiatives and their willingness to remain in their firms can greatly contribute to the current understanding of GHRM and its effectiveness on employee retention in the context of hotel industry of UAE, and thus, aid the practitioners and scholars alike.

The rising global concern for environmental sustainability has driven a surge in green invest-ments' popularity. This study examines the multifractal characteristics and efficiency of various green stock indexes, such as Clean Science and Technology, ISE Clean Edge Global Wind Energy Index, iShares Global Clean Energy ETF, Nasdaq Clean Edge Green Energy, and Solactive Clean Energy. The research covers the period from October 4, 2021, to October 4, 2023. The central ob-jective of this research is to evaluate the efficiency of clean energy stock markets and dissect their influence on investment decisions and market performance in the realm of green investments. To accomplish this, the study employs the Wright test (2000) and the Detrended Fluctuation Analysis (DFA) method. The findings indicate the presence of negative serial autocorrelation within the Rankings and Signals tests. Furthermore, the DFA analysis concurrently reveals long memory patterns in most green indexes, with the notable exception being the Nasdaq Clean Edge index, which exhibits tendencies toward anti-persistence. These results imply that prices inadequately incorporate available information, resulting in non-i.i.d. price fluctuations. These implications are significant for investors, as they indicate the potential for predictable returns and opportunities for arbitrage and abnormal profits, challenging the assumptions of random walk and information efficiency hypotheses.

This article explores the relationship between green energy and cryptocurrencies in the sustainable energy finance sector. The research findings contribute to our understanding of the application of green economy practice, enabling investors in financial markets, policymakers, and stakeholders to make informed decisions and develop specific strategies. Adopting the green economy paradigm makes it possible to promote collaboration and innovation by integrating ethical and responsible principles that can improve the overall quality of processes and boost sustainable growth. Cryptocurrencies have been widely used as financial instruments over the last decade. Given the development of the cryptocurrency market and the growing awareness of greener and more energy-efficient tokens, the green economy has become a popular topic for understanding economic and political issues. However, the literature still lacks clear evidence on how cryptocurrencies interact with green energies. Therefore, this study examines the long- and short-term relationships between dirty cryptocurrencies such as Bitcoin (BTC), Ethereum (ETH), clean cryptocurrencies such as Cardano (ADA), Ripple (XRP), Stellar (XLM), and green energies such as ISE Clean Edge Global Wind Energy, S&amp;P Global Clean Energy, S&amp;P TSX Renewable Energy and Clean Technology, Solactive China Clean Energy, in the period from January 2020 to September 2023. The results show that diversification is key, with clean cryptocurrencies such as ADA, XLM and XRP offering diversification opportunities alongside "dirty" cryptocurrencies such as BTC and ETH. Although sustainable energy indices show mixed evidence in the long and short term, they remain relevant for those who focus on clean energy investments. It is also becoming increasingly relevant for investors in sustainable portfolios to assess their environmental impact, especially for energy-intensive cryptocurrencies, and it is advisable to explore sustainable blockchain technologies.

During the last years the desire and the need for green buildings have been increased. The rise of energy cost, the higher transportation expenses and the international challenges along with the climate change are related with the green buildings market but are also affecting the cost of construction. The aim of this research is to discover and confirm the increased request of green properties and to investigate whether this is related to a new need or just a desire of the buyers. Moreover, the paper examines the people’s knowledge of greenness and sustainability and their wish to live and work in sustainable buildings. Finally, do the buyers will to pay extra in order to purchase a sustainable property and how sustainability can affect the market value and the construction industry. The participants who took part in this research were people that are living and working in Cyprus. One of the significant outcomes was the fact that people who have the knowledge and awareness related to sustainability are willing to pay extra to purchase green properties.

Urban parks play a pivotal role in fostering the development of sustainable and smart cities, encompassing multifaceted dimensions of environmental, social, and economic significance. To effectively manage these urban parks, it is imperative to undertake an in-depth investigation of their environmental, social, and economic conditions, as well as their level of sustainability. However, there is currently a lack of readily applicable methodologies that comprehensively measure these benefits and provide a sustainability rating for urban parks. In this study, we propose a valuable tool that employs effective and affordable measures for the daily management of these green spaces. Our methodology is rooted in the three pillars of sustainability: environmental, social, and economic. Within these pillars, we have defined 19 indicators and 50 criteria, enabling a comprehensive assessment of park sustainability. This methodology is developed through the characterization and systematic documentation of the park’s day-to-day operations. To validate our methodology, we present a case study of Cárcamos Park, situated in the state of Guanajuato in Mexico, utilizing accurate operational data collected from January to December 2020. Through this real-life scenario, we demonstrate the high applicability and effectiveness of our methodology. The sustainability assessment of Cárcamos Park reveals a sustainability level of 57%, placing it within the medium sustainability range. Importantly, our methodology can also be incorporated during the design phase of new urban green spaces, offering flexibility and ease of application tailored to the unique characteristics of each park. Park managers can use our procedure and apply it to any park, evaluate their sustainability status and detect areas of opportunity. Our approach provides a comprehensive and practical tool for measuring and improving the sustainability of urban parks. Its simplicity and applicability make it accessible to anyone interested in creating a greener and more sustainable urban environment.

This study empirically examines the spatial spillover effect of various environmental regulations on green technology innovation using panel data from 284 county-level cities in China between 2007 and 2019. A geographical-economic spatial weight matrix is constructed, and the spatial Durbin model is employed to identify the specific characteristics of this spillover effect. The findings indicate that the spatial spillover effect of green technology innovation primarily occurs through geographical transmission. However, there is no significant spatial autocorrelation when using the economic distance weight matrix. Various types of environmental regulations influence the spatial spillover effect of green technology innovation in distinct ways. Specifically, Market-motivated environmental regulation exhibits a U-shaped relationship with the spatial spillover effect, while Command-controlled environmental regulation demonstrates an inverted U-shaped relationship, suggesting a complementary effect. Additional research shows that the upgrading of industrial structure acts as a mediator between command environmental regulation and the spatial spillover effect of green technology innovation. Government departments should comprehensively coordinate Market-motivated environmental regulation and Command-controlled environmental regulation, accurately assess the intensity of Command-controlled measures, and prevent the migration of green technology innovation elements caused by excessive regulatory measures within enterprises.

Copper oxide nanoparticles (CuONPs) were synthesized using an eco-friendly method and their antimicrobial and biocompatibility properties were determined. The supernatant and extract of the fungus Ganoderma sessile yielded small, quasi-spherical NPs with an average size of 4.5 ± 1.9 nm and 5.2 ± 2.1 nm, respectively. CuONPs showed antimicrobial activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. Minimum inhibitory concentration (MIC) for E. coli and S. aureus was 15.9 µg/mL for nanoparticles (NPs) using the supernatant (CuONPs-S) and 16.5 µg/ml for NPs using the extract (CuONPs-E). Lower concentrations were required for P. aeruginosa inhibition. Ultrastructural analysis revealed the presence of the small CuONPs all through the bacterial cells. Finally, the toxicity of CuONPs was analyzed in three mammalian cell lines: hepatocytes (AML-12), macrophages (RAW 264.7) and kidney (MDCK). Low concentrations (<15 µg/ml) of CuONPs-E were non-toxic to kidney cells and macrophages, and the hepatocytes were the most susceptible to CuONPs-S. The results obtained suggest that the CuONPs synthesized using the extract of the fungus G. sessile, could be further evaluated for the treatment of superficial infectious diseases.

This study endeavors the preparation and evaluation of Phenol Furfural Resin (PFR) from bagasse and its nanocomposites for Electrically Conductive Adhesives (ECAs) application. PFR was prepared with the furfural extracted from bagasse using modified acid digestion method. Three different formulations of PFR nanocomposites with conductive nanoparticles i.e., PFR-silver, PFR-graphite, and PFR-silver + graphite were prepared using 20-60 w/w% of fillers via impregnation method. Resultant products were characterized by FT-IR, SEM, EDS and XRD spectroscopy. Electrical conductivity was measured using four probe technique while band gap was calculated via Tauc plot. Virgin PFR has shown poor conductivity up to 2.6 × 10^-4 Scm^-1 while the highest conductivity achieved was 8.2 × 10^-1 Scm^-1 for nanocomposite constituted silver, graphite, and PFR with 40:30:20 ratios respectively. This synergism was exhibited because graphite and Ag NPs supply excellent junctions for building networks. Both tend to coalesce due to van der Waals forces and high surface energies, therefore conductive pathways numbers can be increased, and contact area can be effectively enlarged. This ternary composite has exhibited the lowest bandgap energy value i.e., 3.1 eV. Thermogravimetric temperatures T₀ and T_deg values were increased up to 120 °C and 484 °C respectively, showing significant increase in thermal stability. Therefore, the resultant nanocomposite material has good potential to be employed as ECAs in electronic industry.

This study endeavors the preparation and evaluation of Phenol Furfural Resin (PFR) from bagasse and its nanocomposites for Electrically Conductive Adhesives (ECAs) application. PFR was prepared with the furfural extracted from bagasse using modified acid digestion method. Three different formulations of PFR nanocomposites with conductive nanoparticles i.e., PFR-silver, PFR-graphite, and PFR-silver + graphite were prepared using 20-60 w/w% of fillers via impregnation method. Resultant products were characterized by FT-IR, SEM, EDS and XRD spectroscopy. Electrical conductivity was measured using four probe technique while band gap was calculated via Tauc plot. Virgin PFR has shown poor conductivity up to 2.6 × 10-4 Scm-1 while the highest conductivity achieved was 8.2 × 10-1 Scm-1 for nanocomposite constituted silver, graphite, and PFR with 40:30:20 ratios respectively. This synergism was exhibited because graphite and Ag NPs supply excellent junctions for building networks. Both tend to coalesce due to van der Waals forces and high surface energies, therefore conductive pathways numbers can be increased, and contact area can be effectively enlarged. This ternary composite has exhibited the lowest bandgap energy value i.e., 3.1 eV. Thermogravimetric temperatures T0 and Tdeg values were increased up to 120 °C and 484 °C respectively, showing significant increase in thermal stability. Therefore, the resultant nanocomposite material has good potential to be employed as ECAs in electronic industry.

In European countries many measures are carried out to improve the disadvantaged conditions and socio-economic marginality of rural areas in comparison with central places. These conditions also affect the quality of travel for visitors and tourists. Therefore, in response to a 'new' tourist demand, motivated also by the restrictions following the spread of the Covid-19 virus in recent years, the institutions and the different local actors are working more incisively to improve rural areas. The rural tourism services offer, combined with the Green Infrastructure (GI) project, at different scales - from local to regional - prove to be interesting territorial development strategies to achieve the Agenda 2030 objectives. This contribution considers the Sulcis Iglesiente - Guspinese area, in the Sardinia Region (IT), as a case study. In this area, the landscape context is marked by past mining activity and the project of a path of historical, cultural and religious values has proved to be an activator of regenerative processes, in environmental, social and economic terms. The present study proposes a methodological approach to develop an index (FI - Feasibility Index) to assess the feasibility of the Stop Places (SPs) schemes along a horse trail to integrate the current slow mobility by bicycle and pedestrian in the bioregion.

Glyphosate　(GLYP)　is a broad-spectrum, non-selective, organic phosphine post emergence herbicide registered for use on many food and non-food field. Herein, we developed a biosensor (Mbs@dsDNA) based on carboxylated modified magnetic beads incubated with NH2-polyA and then hybridized with polyT-glyphosate aptamer and complementary DNA. Afterward, a quantitative detection method based on qPCR was established.　When the glyphosate aptamer on Mbs@dsDNA specifically recognized glyphosate, a complementary DNA is released and then enters the qPCR signal amplification process. The linear range of the method was 0.1-5 μg/mL, and the detection limit was set at 0.1 μg/mL. The recoveries in tap water were ranged from 103.4 ~ 104.9%, and the relative standard deviations (RSDs) were < 1%. The aptamer proposed in this study has a good potential for recognizing glyphosate. The detection method combined with qPCR might have a good application prospect in detecting and supervising other pesticide residues.

Being a valuable source of inulin, fructose and pectin, Jerusalem artichoke (Helianthus tuberosus L.) is one of the most promising bioenergy crops for common usage. Animals have been reported to eat both Jerusalem artichoke green mass and tubers with pleasure. On the one hand, Jerusalem artichoke is cultivated on the area of about 3 thousand hectares in Russia. On the other hand, there are more than 200 crop species. So it is critical to choose a proper variety suitable both for soil and climatic conditions. The purpose of the research is to study Jerusalem artichoke, taking into account varietal characteristics appropriate for forage production. Research objects – varieties of Jerusalem artichoke: early ripening Skorospelka (RF); mid-early Vylgortskiy (RF); mid-season Dieticheskiy (RF), Kaluzhskiy (RF), Korenevskiy (RF), Nadezhda (RF), Nakhodka (RF), Podmoskovniy (RF), Sireniki (RB), Blank Brekos (France), Violet de Rense (France); late ripening Interest (RF), Interest 21 (RF), Novosti VIRa (RF), Tadzhikskiy Krasniy (USSR), Spindle (Germany). The soil for evaluating Jerusalem artichoke varieties was from experimental plot base "Korenevo". It is characterized as sod-slightly podzolic sandy loam. The field trial was established and the records and observations were carried out in accordance with the requirements of the field experiment methodology (1985), and the Program and methodology for evaluating Jerusalem artichoke varieties in test nurseries (2014). The varieties Vylgortskiy, Dieticheskiy, Nadezhda, Nakhodka, Sireniki, Skorospelka, Blank Brekos and Kaluzhskiy were found to reach due height of 155 - 170 cm at the end of the growing season; the varieties Podmoskovniy, Interest reached proper height of 175 - 208 cm; the varieties Interest 21, Tadzhikskiy and Violet de Rense were about 220 - 235 cm in hight; as for the varieties Korenevskiy, Novost VIRa, Spindlу their hight was 270 - 280 cm. According to aggregate amount of feed units per 1 ha, the following varieties have been shown to be the most reasonable for fodder production: Novost VIRa (22,438 fodder units), Nadezhda (19,928 fodder units), Korenevskiy (17,798 fodder units), Shpindle (16,887 fodder units), Dieticheskiy (16,395 fodder units), and Interest (16,116 fodder units). The highest total coefficient of energy efficiency has been found in the following varieties: Novost VIRa – 3.09, Tadzhikskiy – 2.78; Spindle – 2.68; Korenevskiy – 2.43; Interest – 2.10; Skorospelka – 1.98. The results of experimental and theoretical studies obtained were verified on-the-farm conditions based on a seed-speciality farm LLC Kaluga-Agro (the Kaluga region) and demonstrated beneficial effect.

Green electrospun materials are gaining popularity in the quest for a more sustainable environment for human life. Bee pollen (BP) is a valuable apitherapeutic product, and has many beneficial features such as, antioxidant and antibacterial properties. Alginate is a natural and low-cost polymer. Both natural materials show good compatibility with human tissues for biomedical applications and have no toxic effect on the environment. In this study, bee pollen-loaded sodium alginate and polyvinyl alcohol (SA/PVA) nanofibrous mats were fabricated by the electrospinning technique. The green electrospun nanofibrous mats were analyzed by scanning electron microscopy (SEM), Fourier transforms infrared spectroscopy (FTIR), and differential scanning calorimeter (DSC). According to the findings of the study, the toxin-free electrospinning method is suitable for producing green nanomaterial. Because of the useful properties of the bee pollen and the favorable biocompatibility of the alginate fibers, the bee pollen-loaded SA/PVA electrospun mats have the potential for use in a variety of biomedical applications

Background. Nanotechnology is promising field for generating new applications. A green synthesis of nanoparticles through biological methods using plant extract have a reliable and ecofriendly approach to improve our global environment. Methods. Silver nanoparticles (AgNPs) were synthesized using aqueous extract of Anagalis arvensis L and silver nitrate and were physicochemically characterized. Results. The stability of AgNPs toward acidity, alkalinity, salinity and temperature showed that they remained stable at room temperature for more than two months. The SEM and TEM analysis of the AgNPs showed that they have a uniform spherical shape with an average size in the range of 40–78 nm. Further 1-Dibhenyl-2-Picrylhydrazl radical in Anagalis arvensis L.mediated AgNPs showed a maximum activity of 98% at concentration of 200μg/mL. Hydrogen peroxide scavenging assay in Anagalis arvensis L. mediated AgNPs showed a maximum activity of 85% at concentration of 200μg/mL. Reducing power of Anagalis arvensis L.Ag NPs exhibited a higher activity of 330 μg/mL at concentration of 200 μg/mL. These NPs have cytotoxic effects against brine shrimp (Artemia salina) nauplii with a value of 53% LD 178.04μg/mL. Conclusion. The AgNPs synthesized using Anagalis arvensis L. extract demonstrate a broad range of applications.

Strategic researches on green mine construction are of great theoretical and practical significance to the sustainable development of China's mining industry as well as the great-leap-forward development strategies of China. Strategies of green mine construction in China are methods summarized to solve all potential problems from mine production to ecological restoration. At present, strategies of green mine construction in China are not fully evaluated and studied yet. Therefore, on the basis of green mine construction related literatures carried out by researchers in China and abroad, this study took the green mine of Yongcheng City in China as the research object to evaluate the current situation of green mine construction in Yongcheng City and put forward corresponding countermeasures. First of all, driving force-pressure-state-impact-response (DPSIR) model was introduced for the construction of evaluation index system; construction principles and selection methods of indexes and the index system based on driving force, pressure, state, impact and response were constructed. Secondly, principal component analysis (PCA) was adopted to calculate and evaluate data of green mine of Yongcheng City in recent years, and construction state of green mine in Yongcheng City was analyzed concretely according to the evaluation results. Empirical results showed that, the evaluation system constructed in this study was feasible, which could be applied to evaluate construction of green mine effectively.

Thorium (Th) is a natural radioactive element present in the environment and has a potential to be used as a nuclear fuel. Relatively little is known about the influence and toxicity of Th in the environment. In the present study, the toxicity of Th to the green algae Chlorella pyrenoidosa (C. Pyrenoidosa) was evaluated by algal growth inhibition, biochemical assays and morphologic observations. In the cultural medium (OECD TG 201), Th(NO₃)₄ was transformed to amorphous precipitation of Th(OH)₄ due to hydrolysis. Th was toxic to C. Pyrenoidosa, with a 96 h half maximum effective concentration (EC₅₀) of 10.4 μM. Scanning electron microscopy shows that Th-containing aggregates were attached onto the surface of the algal cells, and transmission electron microscopy indicates the internalization of nano-sized Th precipitates and ultrastructural alterations of the algal cells. The heteroagglomeration between Th(OH)₄ precipitation and alga cells and enhanced oxidative stress might play important roles in the toxicity of Th. To our knowledge, this is the first report of the toxicity of Th to algae with its chemical species in the exposure medium. This finding provides useful information on understanding the fate and toxicity of Th in the aquatic environment.

Urban environments face escalating challenges, e.g. due to uncontrolled urbanization, rapid population growth or climate changes, prompting the exploration of sustainable solutions for enhancing urban green spaces (UGS). For this reason, poplars (Populus L.), due to their rapid growth, wide range adaptability to environmental conditions and versatility of use, would have emerged as very promising. This comprehensive review synthesizes current knowledge regarding poplar's application in urban landscapes, emphasizing its multifaceted contributions and benefits. However, challenges arise from the variable lifespans of different poplar cultivars, necessitating strategic management approaches. Selecting cultivars based on growth rates, root system characteristics, and adaptability to urban conditions is pivotal. Adaptive replanting strategies, incorporating species with varying lifespans, offer solutions to maintain continual greenery in urban landscapes. Collaborative efforts between researchers, urban planners, and policymakers are essential for devising comprehensive strategies that maximize benefits while addressing challenges associated with their variable lifespans. In conclusion, harnessing poplar's potential in urban greenery initiatives requires a balanced approach that capitalizes on their benefits while mitigating challenges. Further research and adaptive strategies are crucial for sustained and effective utilization in creating resilient and vibrant urban landscapes.

This paper defines the two main causes of global warming in the UK and seeks to cut climate change using green hydrogen made from renewable electricity sources. Combustion vehicles powered by fossil gasoline and diesel emit a third of UK climate-warming CO2 while buildings heated by natural gas provide a quarter. First, current UK grid problems are defined: Electricity grid, gas grid and petroleum grid. Then experiments on the private energy community of Keele University allow electrolysis demonstrations producing green hydrogen for buildings and vehicle refueling. Next, the model supply chain is planned and tested. Finally, experiments and calculations are outlined, analyzing the optimum system design criteria proposed. We conclude that economic green hydrogen can displace diesel and gasoline in vehicle transport, while also displacing natural gas for combined heat and power in buildings. In addition, the prospect in 2023 is that profits can now be made all along the green hydrogen supply chain, such that new businesses involved in clean communities can beat the National Grid monopoly and other large dominant fossil grid companies.

Pomegranate (Punica granatum L.) is well known for its high content in bioactives including polyphenols, flavonoids and tannins, which have been shown to exhibit a wide range of biological activity such as antioxidant, antimicrobial and anticancer effects. It is worth noting that the majority of these molecules are found in the peels (PP), which are usually disposed of after processing, causing a significant amount of waste, amounting to more than 3.6 million t/y. This work investigates MW-assisted extraction (MAE) in water for the recovery of antioxidants from PP, including the optimization of temperature and extraction times. The total phenolics, anthocyanin, flavonoid and tannin contents of the recovered extracts have been determined, as have their antioxidant activities, which were found to be 356.35 mgGAE/gextr., 303.97 µgCy3G/gextr., 37.28 mgQE/gextr., 56.48 mgGAE/gextr. and 1.43 µmolTE/gextr., respectively (according to the adopted reference). All results have been compared with those obtained using a conventional protocol. In addition, the potential for water recycling by means of nanofiltration downstream in optimized MAE has been investigated, leading to overall water reuse of approx. 75%. Energy consumption (20.92W/mgGAE) and the common green metrics, RME, E-Factor and PMI (PME), have been considered in evaluating the proposed PP valorization strategy. Finally, the biological activity of the main products has been assessed. The antimicrobial properties of the PP extracts against three Gram-positive and three Gram-negative bacteria, and their antiproliferative activity towards human cancer cells have been tested. The S. aureus bacteria was the most susceptible to the PP extracts. All tested products displayed antiproliferative activity in HeLa cells when higher concentrations were tested, with D-PP/NF being the most effective. This result was also confirmed in a clonogenic analysis, which generally indicated the possible anti-cancer activity of pomegranate peel extracts obtained using this green approach.

The health of urban citizens is defined by how their living environments are planned, built, and operated. These complex relations between health and the characteristics of built environments require system-orientated thinking and transdisciplinary interventions, yet have mainly been addressed using conventionally narrow sector-based approaches. This paper investigates the opportunities and challenges of the Vietnamese Green Building Movement (GBM) based on a transdisciplinary approach, with attention to additional health benefits of green buildings that are currently under-researched, while highlighting building users’ perspectives. Focusing on the perspectives of high-rise building residents, the paper examines transdisciplinary insights collected from six thematic webinars, expert interviews, and, in particular, from a household survey conducted in Ho Chi Minh City, Vietnam. Among other findings on opportunities and challenges for the Vietnamese GBM, the paper points out a challenging mismatch between the high importance homebuyers place on green building health benefits, and the focus of GBM stakeholders on GB energy-saving benefits- which are not necessarily homebuyers’ most pressing concerns. With this evidence-based inquiry, the paper concludes that improved health and well-being should be considered co-benefits of green buildings, along with energy efficiency. Importantly, this paper also brings attention to the necessity of a systemic and transdisciplinary approach in both academic and practical efforts toward the implementation of SDG3- to “ensure healthy lives and promote wellbeing for all ages”- and SDG 11- “to make cities and human settlements inclusive, safe, resilient and sustainable”.

Mounting evidence supports the connections between exposure to environment types––such as green spaces and biodiversity––and human health. However, the mechanistic links that connect biodiversity (the variety of life) and human health, plus the level of supporting evidence, are less clear. Here, we undertook a scoping review to map the links between biodiversity and human health and summarise the levels of associated evidence using an established weight of evidence framework. Distinct from other reviews, we provide additional context regarding the environment-microbiome-health axis, evaluate the environmental buffering pathway (e.g., biodiversity impacts on air pollution), and draw upon expert opinion to provide case studies on three underrepresented linkages. The case studies include (1) biodiversity and Indigenous Peoples’ health, (2) biodiversity and urban social equity, and (3) biodiversity and COVID-19. We observed a moderate level of evidence to support the environmental microbiota-human health pathway and a moderate-high level of evidence to support broader nature pathways (e.g., green space) to various health outcomes, from stress reduction to enhanced wellbeing and improved social cohesion. However, studies of broader nature pathways did not typically include specific biodiversity metrics, indicating clear research gaps. Further research is required to understand the connections and causative pathways between biodiversity (e.g., using metrics such as taxonomy, diversity/richness, structure, and function) and health outcomes. There are well-established frameworks to assess the effects of broad classifications of nature on human health. These can assist future research in linking biodiversity metrics to human health outcomes. Our case studies on underrepresented linkages highlight the roles of biodiversity and its loss on urban lived experiences, infectious diseases, and Indigenous Peoples’ sovereignty and livelihoods. More research and awareness of these socioecological interconnections are needed.

Background: Microbiome-Inspired Green Infrastructure (MIGI) was recently proposed as an integrative system to promote healthy urban ecosystems, through multidisciplinary design. Specifically, MIGI is defined as nature-centric infrastructure restored and/or designed and managed to enhance health-promoting interactions between humans and environmental microbiomes, whilst sustaining microbially-mediated ecosystem functionality and resilience. MIGI also aims to stimulate a research agenda that focuses on considerations for the importance of urban environmental microbiomes. Objectives: In this paper we provide details of what MIGI entails from a bioscience and biodesign perspective, highlighting the potential dual benefits for human and ecosystem health. We present ‘what is known’ about the relationship between urban microbiomes, green infrastructure and environmental factors that may affect urban ecosystem health (ecosystem functionality and resilience as well as human health). We discuss how to start operationalising the MIGI concept based on current available knowledge, and present a horizon scan of emerging and future considerations in research and practice. We conclude by highlighting challenges to the implementation of MIGI and propose a series of workshops to discuss multi-stakeholder needs and opportunities. Discussion: This article will enable urban landscape managers to incorporate initial considerations for the microbiome in their development projects to promote human and ecosystem health. However, overcoming the challenges to operationalising MIGI will be essential to furthering its practical development. Although the research is in its infancy, there is considerable potential for MIGI to help deliver sustainable urban development driven by considerations for reciprocal relations between humans and the foundations of our ecosystems –– the microorganisms.

Synthesis of heterodinuclear 3d transition metal complexes in which two metal ions are introduced in equivalent coordination sites of a ligand is quite uncommon. We have previously shown that the application of the cis-trans isomerization of the oxamido group was able to furnish such a possibility. In the present paper we demonstrate that this synthetic pathway, relying on the possibility of changing the conformation (cis vs trans) of the oxamido group, can be extended to other ligands. Although we have not been able to structurally characterize these complexes, EPR and magnetic data do confirm the efficiency of this reaction pathway. We also demonstrate that the cis-trans isomerization of the oxamido group is not due to a particular property of the ion involved in the reaction. In fact, isomerization is governed by the basicity of the reaction medium. According to the reaction condition, it is possible to favor or not this phenomenon, and to increase the accessibility to a larger number of novel genuine complexes. But the oxophilic character of the lanthanide ions impedes this isomerization in 3d-4f complexes. The very weak magnetic interactions observed in these Cu-Gd complexes can be explained thanks to spin polarization.

Towards better understanding of factors controlling carbon (C) exchange between inland waters and atmosphere, we addressed inorganic carbon cycle in semi-arid lakes of Central Eurasia, subjected to strong impact of on-going climate change. For this, we assessed the hydrochemical vari-ability and quantified its control on formation of authigenic carbonate minerals, occurring within the upper layer of sediments in 43 semiarid lakes located in the southwest of Western Siberia (Central Eurasia). Based on measurements of pH, total dissolved solids (TDS), cationic and anionic composition, dissolved organic and inorganic C, as well as textural and mineralogical characterization of bottom sediments using X-ray diffraction and scanning electron microscopy, we demonstrate that lake water pH and TDS are primarily controlled by both lithological and climatic context of the lake watershed. We have not revealed any direct relationships between lake morphology and water chemistry. The most common authigenic carbonates scavenging atmospheric CO2 in the form of insoluble minerals in lake sediments were calcite, aragonite, Mg-calcite, dolomite and hydro-magnesite. The calcite was the most common component, aragonite mainly appears in lakes with sediments enriched in gastropod shells or artemia cysts, while hydromagnesite was most common in lakes with high Mg/Ca molar ratios, as well at high DIC concentrations. The relationships between mineral formation and water chemistry established in this study can be generalized to a wide suite of arid and semi-arid lakes in order to characterize current status of inorganic C cycle and predict its possible modification under on-going climate warming such as water temperature rise and change of hydrological connectivity, primary productivity and nutrient regime.

Metals are indispensable in the life of all organisms, in fact, their dysregulation causes various disorders caused by an interruption of their homeostasis. Nowadays different transition metals are incorporated into pharmaceutical products as diagnostic and therapeutic agents because of their electronic structure which gives them versatility in terms of tuning molecule properties, differently from organic molecules. Hence the interest in the study of metal-drug complexes from different points of view was born and many approaches were developed for the characterization, activation, delivery and molecular mechanisms clarification. The integration of these different approaches starting from chemoproteomics passing through nanoparticle systems to different activation strategies allows the understanding of the cellular responses of metallic drugs, which can be the basis for the design of new drugs and/or modification of drugs currently in use. This review aims to briefly summarize the recent advances in this area by describing the technological platforms and their possible applications to identify protein targets for discovering the mechanisms of action of metallodrugs, and to improve their efficiency in terms of administration.

We synthesized iron(II)-triazole spin crossover compounds of the type [Fe(atrz)3]X2 and incorporated and deposited them on electrospun polymer nanofibers. In view of possible applications, we chose iron(II)-triazole-complexes that are known to exhibit spin crossover close to ambient temperature. Therefore we used the complexes [Fe(atrz)3]Cl2 and [Fe(atrz)3](2ns)2 (2ns = 2Naphthalenesulfonate) and analyzed them with IR-, UV/Vis and Mossbauer spectroscopy and with a SQUID magnetometer. The synthesized complexes were then in one attempt deposited on fibers of polymethylmethacrylate (PMMA) and in another attempt incorporated into core-shell like PMMA fiber structures. This was done via two different electrospinning methods. Deposition was performed by uniaxial electrospinning and incorporation was performed by coaxial electrospinning. The obtained polymer-complex-composites were then further investitgated by the same methods as the pure complexes as well as by SEM pictures and EDX measurements. The analysis by UV/Vis spectroscopy, Mössbauer spectroscopy and temperature-depended magnetic measurements with the SQUID magnetometer showed that the spin crossover properties were maintained and were not changed after the electrospinning processes and that the complexes were not harmed during the procedure.

High-level quantum-chemical computations (G4MP2) are carried out in the study of complexes featuring tetrel bonding between the carbon atom in the carbenoid CB11H11 - obtained by hydride removal in the C-H bond of the known closo-monocarbadodecaborate anion CB11H12() and acting as Lewis acid (LA) - and Lewis bases (LB) of different type; the electron donor groups in the tetrel bond feature carbon, nitrogen, oxygen, fluorine, silicon, phosphorus, sulphur and chlorine atomic centers in neutral molecules as well as anions H(-), OH(-) and F(-). The empty radial 2pr vacant orbital on the carbon center in CB11H11 , which corresponds to the LUMO, acts as a Lewis acid or electron attractor, as shown by the molecular electrostatic potential (MEP) and electron localization funcion (ELF). The thermochemistry and topological analysis of the complexes {CB11H11:LB} are comprehensively analyzed, and classified according to sharing or closed-shell interactions. ELF analysis shows that the tetrel C···X bond ranges from very polarised bonds, as in H11B11C:F() to very weak interactions as in H11B11C···FH and H11B11C···O=C=O.

Oligonucleotide conjugates with boron clusters have found applications in different fields of molecular biology, biotechnology, and biomedicine as potential agents for boron neutron capture therapy, siRNA components, and antisense agents. Particularly, closo-dodecaborate anion represents a high-boron containing residue with remarkable chemical stability and low toxicity, suitable for the engineering of different constructs for biomedicine and molecular biology. In the present work, we synthesized novel oligonucleotide conjugates of closo-dodecaborate attached to the 5'-, 3'-, or both terminal positions of DNA, RNA, 2'-O-Me RNA, and 2'-F-Py RNA oligomers. For their synthesis, we employed click reaction with the azido derivative of closo-dodecaborate. The key physicochemical characteristics of the conjugates have been investigated using high-performance liquid chromatography, gel electrophoresis, UV thermal melting, and circular dichroism spectroscopy. Incorporation of closo-dodecaborate residues at the 3'-end of all oligomers stabilized their complementary complexes, while analogous 5'-modification decreased duplex stability. Two boron clusters attached to the opposite ends of the oligomer only slightly influence the stability of complementary complexes of RNA oligonucleotide and its 2'-O-methyl and 2'-fluoro analogs. On the contrary, the same modification of DNA oligonucleotides significantly destabilized DNA/DNA duplex but gave a strong stabilization of the duplex with RNA target. According to CD spectroscopy results, two terminal closo-dodecaborate residues cause a prominent structural rearrangement of complementary complexes with a substantial shift from B-form to the A-form of the double helix. The revealed changes of key characteristics of oligonucleotides caused by incorporation of terminal boron clusters, such as the increase of hydrophobicity, change of duplex stability, and prominent structural changes for DNA conjugates, should be taken into account for the development of antisense oligonucleotides, siRNAs, or aptamers bearing boron clusters. These features may also be used for engineering of developing NA constructs with pre-defined properties.

How did life begin on Earth? And is there life elsewhere in the Cosmos? Challenging questions, indeed. The series of conferences established by NoR CEL in 2013, addresses these very same questions. The basis for this paper is the summary report of oral presentations that were delivered by NoR CEL’s network members during the 2018 Athens conference and, as such, disseminates the latest research which they have put forward. More in depth material can be found by consulting the contributors referenced papers. Overall, the outcome of this conspectus on the conference demonstrates a case for the existence of “probable chemistry” during the prebiotic epoch.

The development of organic devices has been focused in their miniaturization in order to obtain denser and faster electronic circuits. The challenge is to build the devices adding atom by atom or molecule by molecule until the desired structure is achieved. To do this job, techniques able to see and manipulate matter at this scale are needed. Scanning tunneling microscopy has been the selected technique by scientists to develop smart and functional unimolecular devices. This review article compiles the latest developments in this field giving examples of supramolecular systems monitored and fabricated at molecular scale by bottom-up approaches using STM at solid/liquid interface.

One of the research priorities in atmospheric chemistry is to advance our understanding of heterogeneous reactions and their effect on the composition of the troposphere. Chemistry on aqueous surfaces is particularly important in this regard because of their ubiquity and expanse. They range from the surfaces of oceans (360 million km²), cloud and aerosol drops (~10 trillion km²) to the fluids lining the human lung (~200 m²). Typically, ambient air contains reactive gases that may affect human health, influence climate and participate in biogeochemical cycles. Despite their importance, reactions between gases and solutes at air-aqueous interfaces are not well understood. New, surface-specific techniques are required that detect and identify the intermediates and products of such reactions as they happen on liquids. This is a tall order because genuine interfacial reactions are faster than mass diffusion into bulk liquids, and may produce novel species at low concentrations. Herein, we review evidence that validates online pneumatic ionization mass spectrometry of liquid microjets dosed by reactive gases as a technique meeting such requirements. Next, we call attention to results obtained by this approach on reactions of ozone, nitrogen dioxide and hydroxyl radicals with various solutes on aqueous surfaces. The overarching conclusion is that the outermost layers of aqueous solutions are unique media, where equilibria shift and reactions proceed faster than, in some cases along different pathways from the bulk liquids. The fact that the rates and mechanisms of reactions at air-aqueous interfaces may not be deduced from experiments in bulk liquids opens new conceptual frameworks and lines of research, and adds an overlooked dimension to atmospheric chemistry.

Novel collector lead(II)-benzohydroxamic acid (Pb(II)-BHA) complexes in aqueous solution were characterized by using experimental approaches, including Ultraviolet-visible (UV-Vis) spectroscopy and electrospray ionization–mass spectrometry (ESI-MS), as well as first-principle density functional theory (DFT) calculations with consideration for solvation effects. The Job plot delineated that a single coordinated Pb(BHA)⁺ should be formed first, and the higher coordination number complexes can be formed subsequently. Moreover, the Pb(II)-BHA species can aggregate with each other to form complicated structures, such as Pb(BHA)₂ or highly complicated complexes. ESI-MS results validated the existence of Pb-(BHA)_n=1,2 under different solution pH values. Further, the first-principles calculations suggested that Pb(BHA)⁺ should be the most stable structure, and the Pb atom in Pb(BHA)⁺ will act as an active site to attack nucleophiles. These findings are meaningful to further illustrate the adsorption mechanism of Pb(II)-BHA complexes in mineral processing.

Macromolecular crystallography at cryogenic temperatures has so far provided the majority of the experimental evidence that underpins the determination of the atomic structures of proteins and other biomolecular assemblies by means of single crystal X-ray diffraction experiments. One of the core limitations of the current methods is that crystal samples degrade as they are subject to X-rays, and two broad groups of effects are observed: global and specific damage. While the currently successful approach is to operate outside the range where global damage is observed, specific damage is not well understood and may lead to poor interpretation of the chemistry and biology of the system under study. In this work, we present a phenomenological model in which specific damage is understood as the result of a single process, the steady excitation of crystal electrons caused by X-ray absorption, which acts as a trigger for the bulk effects that manifest themselves in the form of global damage and obscure the interpretation of chemical information from XFEL and synchrotron structural research.

After UV excitation, gas phase thymine returns to ground state in 5 to 7 ps, showing multiple time constants. There is no consensus on the assignment of these processes, with a dispute between models claiming that thymine is trapped either in the first (S1) or in the second (S2) excited states. In the present study, nonadiabatic dynamics simulation of thymine is performed on the basis of ADC(2) surfaces, to understand the role of dynamic electron correlation on the deactivation pathways. The results show that trapping in S2 is strongly reduced in comparison to previous simulations considering only non-dynamic electron correlation on CASSCF surfaces. The reason for the difference is traced back to the energetic cost for formation of a CO p bond in S2.

Macroalgae seaweeds such as Ulva lactuca and Gracilaria verrucosa cause problems on the Northern Coast of the Italian Adriatic Sea because their overabundance hinders the growth of cultivated clams, Rudatapes philippinarum. This study focused on the green synthesis of CuO nanoparticles from U. lactuca and G. verrucosa. The biosynthesized CuO NPs were successfully characterized using FTIR, XRD, HRTEM/EDX, and zeta potential. Nanoparticles from the two different algae species are essentially identical, with the same physical characteristics and almost the same antimicrobial activities. We have not investigated the cause of this identity, but it seems likely to arise from the reaction of Cu with the same algae metabolites in both species. The study demonstrates that it is possible to obtain useful products from these macroalgae through a green synthesis approach and that they should be considered as not just a cause of environmental and economic damage but also as a potential source of income.

The present study comprises the second part of our previous work that dealt mainly with the phytochemical and physicochemical characterization of green coffee, clove, cinnamon/clove and nutmeg ethanolic extracts of grape origin. In the present study, we focused on producing a discriminating model concerning green coffee, clove, cinnamon, cinnamon and clove, and nutmeg fine powders based on multivariate analysis of variance and supervised learning on data of volatile compounds analysis, carried out with solid phase dynamic extraction in combination with gas chromatography/mass spectrometry. Results showed that 7 volatile compounds namely ethylene, methanol, 3-methylpentane, ethyl acetate, 9-hexadecen-1-ol, toluene, and methyl acetate could differentiate the investigated samples resulting in a 100% classification rate using the cross-validation method of linear discriminant analysis. Results were further confirmed using partial least squares regression analysis. The study contributes to the typification of green coffee, cinnamon, clove, cinnamon and clove and nutmeg, based on selected volatile compounds, and provides further support to the literature by means of possible adulteration given the statistical models developed.