Gap junctions (GJs) made of connexin-43 (Cx43) are important for the conduction of electrical impulses in the heart. Modulation of Cx43 activity may be useful in the treatment of cardiac arrhythmias and other dysfunctions. Search of novel GJ modulating agents using molecular docking approach allows to predict the binding affinities that often significantly differ from experimentally estimated their potencies. The objective of this study was to demonstrate that Quantitative Structure-Activity Relationship (QSAR) model could be used for more precise identification of potent Cx43 GJ inhibitors. Using the QSAR model and molecular docking, we evaluated the known Cx43 GJ inhibitors, suggested a new one, and tested it experimentally. Our QSAR model predicted the concentrations required to produce 50% of the maximal effect (IC50) for each of these compounds and estimated the correlation between predicted and experimental IC50ies (pIC50 and eIC50). This led to suggestion of monocyclic monoterpene d-limonene as putative Cx43 inhibitor with pIC50 = 1.07. In turn, dual whole-cell patch-clamp measurements provided eIC50=1.41. The pIC50ies of d-limonene and other Cx43 GJ inhibitors examined by our QSAR model well correlated with their eIC50ies (R = 0.88) in contrast to pIC50s obtained from molecular docking (R = 0.42). However, the molecular docking suggested that inhibitor potency may depend on their docking sites on Cx43.

We examine here the conductance changes associated with the change in spin state in a variety of different structures, using the example of the spin crossover complex [Fe(H2B(pz)2)2(bipy)] (pz= (pyrazol-1-yl)-borate and bipy = 2,2’-bipyridine) and [Fe(Htrz)2(trz)](BF4)] (Htrz = 1H-1,2,4-triazole) thin films . This conductance change is highly variable depending on the mechanism driving the change in spin state, the substrate and the device geometry. Simply stated, the choice of spin crossover complex used to build a device is not the only factor in determining the change in conductance with the change in spin state.

The changing dynamics in climate is the primary and important determinant of agriculture productivity. The effects of this changing climate on overall productivity in agriculture can be understood when we study the effects of individual components contributing to the changing climate on plants and crops. Elevated CO₂ (eCO₂) and drought due to high variability in rainfall is one of the important manifestations of the changing climate. There is a considerable amount of literature that addresses climate effects on plant systems from molecules to ecosystems. Of particular interest is the effect of increased CO₂ on plants in relation to drought and water stress. As it is known that one of the consistent effects of increased CO₂ in the atmosphere is increased photosynthesis, especially in C₃ plants, it will be interesting to know the effect of drought in relation to elevated CO₂. The potential of elevated CO₂ ameliorating the effects of water deficit stress is evident from literature suggesting that these two are agents are brothers in arms protecting the plant from stress rather than partnering in crime, specifically water deficit when in isolation. The possible mechanisms by which this occurs will be discussed in this minireview. Interpreting the effects of short-term and long-term exposure of plants to elevated CO₂ in the context of ameliorating the negative impacts of drought will show us the possible ways by which there can be effective adaption to crops in the changing climate scenario.

High intrinsic water use efficiency (WUEi), the ratio of leaf photosynthesis to stomatal conductance, may be a useful trait in adapting crops to water-limited environments. Carbon isotope ratios can be a useful indicator of WUEi, but might not be well correlated with it if the plants compared differ substantially in mesophyll conductance. In this study, six cultivars of soybeans previously shown to differ in WUEi in indoor experiments were grown in the field in Beltsville, Maryland, and mid-day WUEi was measured on nine clear days during mid-seasons of two years. Measurement dates were chosen for diverse temperatures, and air temperatures ranged from 21 to 34 oC on the different dates. Corrected carbon isotope delta values for 13C (CID) were determined on mature, upper canopy leaves harvested during early pod filling each year. WUEi differed among cultivars both years and the differences were consistent across measurement dates. Correlations between mean WUEi and CID were not significant in either year. It is concluded that consistent cultivar differences in WUEi exist in these soybean cultivars under field conditions, but that carbon isotope ratios may not be useful in identifying them.

Experimental systems to simulate future elevated CO2 conditions in the field often have large, rapid fluctuations in CO2. To examine possible impacts of such fluctuations on photosynthesis, intact leaves of field grown plants of five species were exposed to two-minute cycles of CO2 between 400 and 800 mol mol-1 lasting a total of 10 minutes, with photosynthesis, stomatal conductance and PSII fluorescence measured at the end of each half-cycle, and also 10 minutes after the end of the cycling. Prior to the cyclic CO2 treatments, steady-state responses of leaf gas exchange and fluorescence to CO2 were determined. In four of the five species, in which stomatal conductance decreased with increasing CO2, the cyclic CO2 treatments reduced stomatal conductance. In those species, both photosynthesis and the photochemical efficiency of PSII were reduced at limiting internal CO2 levels, but not at saturating CO2. In the fifth species, there was no change in stomatal conductance with CO2, and no change in either photosynthesis or PSII efficiency at any CO2 level with CO2 cycling. It is concluded that in many, but not all, species fluctuations in CO2 may reduce photosynthesis at low CO2 partly by decreasing the photochemical efficiency of photosystem II, as well as by decreasing stomatal conductance.

The main sources of intrinsic noise in excitable cells at the microcircuit and network levels are the stochastic characteristics of ion channel gating and activation of the synaptic conductance. Studies using in vivo, in vitro, and in silico methods to examine the effects of synaptic background activity were not adequately investigated in non-neuronal excitatory cells, where neurotransmitter-based innervation also occurs. We created a mathematical model to replicate the background synaptic noise dynamics in a non-neuronal cell. We utilized the stochastic Ornstein-Uhlenbeck process to represent excitatory synaptic conductance, which was incorporated into a whole-cell model to produce spontaneous and evoked cellular electrical activities. The single-cell model includes many biophysically detailed ion channels represented by a set of ordinary differential equations in Hodgkin-Huxley and Markov formalisms. This paradigm effectively induced irregular spontaneous depolarizations (SDs) and spontaneous action potential (sAP) resembling in vitro-like electrical activity in the cells. The input resistance decreased by multiple factors, and the spontaneous action potential firing rate elevated. The potential to reach the action potential threshold is altered. Background synaptic activity can alter the input/output characteristics of non-neuronal excitatory cells. Suppressing these baseline activities would facilitate the discovery of new pharmaceutical targets for different clinical diseases.

Nowadays, fostered by technological progress and contextual circumstances such as economic crisis and pandemic restrictions, remote education is living a growing deployment. However, this growth generated widespread doubts about the actual effectiveness of remote/online compared to face-to-face education. The present study aimed at comparing face-to-face and remote education through a multimodal neurophysiological approach. It involved forty students at a driving school, during a real classroom, experiencing both the modalities. Wearable devices to measure brain, ocular, heart and sweating activities were employed in order to analyse the students’ neurophysiological signals to obtain insights about their cognitive dimension. In particular, four parameters were considered, the Eye Blink Rate, the Heart Rate and its Variability and the Skin Conductance Level. Also, the students filled a questionnaire at the end to obtain an explicit measure of their learning performance. Data analysis showed a higher cognitive activity, in terms of attention and mental engagement, in presence with respect to remote modality. On the other hand, students by remote felt more stressed, in particular during the first part of the lesson. Analysis of questionnaires demonstrated worst performance by remote, thus suggesting a common “disengaging” behaviour when attending remote courses, thus undermining their effectiveness. In conclusion, neuroscientific tools could help to obtain insights about mental concerns, often «blind», such as attentional decreasing and stress increasing, as well as their dynamics during the lesson itself, so allowing to define proper countermeasures to emerging issues when introducing new practices into daily life.

The present study aims to unravel the mechanisms of salicylic acid and rehydration and the physiological benefits in pepper plants grown under water deficit. 3x4 factorial scheme adopted, with three water regimes (irrigated, dry and rehydration) and four SA concentrations, namely: 0 (control), 0.5, 1 and 1.5 mM. Evaluated leaf moisture percentage, leaf water potential, chlorophylls (a and b), carotenoids, stomatal conductance, chlorophyll a fluorescence and H2O2 concentration at different times throughout the day and water conditions (irrigated, dry and rehydration) and SA applications (without the addition of the regulator (0) and with SA addition at concentrations equal to 0.5, 1 and 1.5 mM). Exogenous SA application favored stomatal conductance responses(gs) and modified fluorescence parameters (Fm, Fo, Fm', Fo', Fv/Fm, qP, ETR and NPQ) of sweet pepper plants subjected to drought followed by rehydration. SA concentration of 0.5 mM allowed a more expressive recovery of gs indices, effective quantum yield of photosystem II, with emphasis on excess energy (E) and maximum quantum yield (FV/FM) over time in plants subjected to drought and rehydration. We discovered that the use of SA, especially in association with rehydration, by modulating the variables gs and chlorophyll a fluorescence, prevents damage to membranes and consequently mitigates water deficit in pepper plants.

This paper reports modelling outcomes for improvements to building energy performance in Indonesia. Long-term climate effects due to building energy demands including carbon emissions are also considered. The global change assessment model (GCAM) was used to generate the related end-user building energy data, including socioeconomics for urban areas of Indonesia. As a comprehensive study, the total life cycle of carbon in the building sector and the concept of zero-carbon buildings, including energy efficiency, zero-emissions electricity and fuel switching options were considered. Building shell conductance (u-value) of building envelope, floor area ratio (FAR), air conditioner (AC) efficiency, electrical appliances (APLs) efficiency, rooftop photovoltaic (PV) performance and ground source heat pump (GSHP) systems were considered as parameters to mitigate carbon emissions under the operational energy category in GCAM. Carbon mitigation associated with the cement production process was considered in the raw material category. Urban population and labour productivity in Indonesia were used as base inputs with projected growth rates to 2050 determined from available literature. Low growth rate ‘LowRate’ and high growth rate ‘HighRate’ were considered as variable inputs for u-value, FAR, AC efficiency, APLs efficiency, and PV capacity factor to model emissions mitigation. The energy consumption of the GSHP was compared to the conventional reverse cycle ACs to identify the potential of the GSHP as a fuel-switching option. Only base input data were used for cement production process parameters without applying any variable inputs. GCAM base scenarios based on input data only (without modifying variable data) for the residential building sector in Indonesia were considered the benchmark for this study. Total potential carbon emissions mitigation was found to be 432 Mt CO2-e for the residential building sector in Indonesia over 2020-2050. It was found that an average of 24% carbon emissions mitigation could be achieved by 2020-30 and 76% in 2031-2050.

Curcumin, a major constituent of turmeric, has beneficial effects against several diseases. In cystic fibrosis (CF), this compound potentiates the activity of a number of cystic fibrosis transmembrane conductance regulator (CFTR) mutants. Despite holding promise in the treatment of CF, the curcumin binding site in CFTR and the molecular mechanism of activation of this channel are still unknown. The results of the study, based on docking and molecular dynamics (MD) simulations, allow to propose that curcumin binds the closed ATP-free CFTR near the NBD1/ ICl1/ICl4 interface. The bound ligand, once approached by NBD2 during transient channel opening, lays at a multiple interdomain cross point. Thereafter, curcumin can bridge NBD1 and NBD2, and also ICL1/ICL4 and ICL2/ICL3 finally tightening the same interdomain interactions that normally uphold the active conformation in the wild type ATP-bound CFTR. The proposed binding site is compatible with biochemical observations made in previous CFTR-curcumin interaction studies. These findings provide the framework for the design of novel drugs that activate CFTR mutants characterized by defects in ATP binding and/or NBD dimerization, or even lacking NBD2.

Graphene and borophene are highly attractive two-dimensional materials with outstanding physical properties. In this study we employed a combined atomistic continuum multiscale modeling to explore the effective thermal conductivity of polymers nanocomposites made of PDMS polymer as the matrix and graphene and borophene as nanofillers. We first conduct classical molecular dynamics simulations to investigate the interfacial thermal conductance between graphene/PDMS and borophene/PDMS interfaces. Acquired results confirm that the interfacial thermal conductance between nanosheets and polymer increases from the single-layer to multilayered nanosheets and finally converges. The data provided by the atomistic simulations were then used in the finite element method simulations to evaluate the effective thermal conductivity of polymer nanocomposites at continuum level. We explore the effects of nanofillers type, their volume content, geometry aspect ratio and thickness on the nanocomposites effective thermal conductivity. As a very interesting finding, we show that borophene nanosheets, despite almost two orders of magnitude lower thermal conductivity than graphene, can yield very close enhancement in the effective thermal conductivity in comparison with graphene, particularly for low volume content and small aspect ratios and thicknesses. We conclude that for the polymer-based nanocomposites, significant improvement in the thermal conductivity can be reached by improving the bonding between the fillers and polymer or in another word enhancing the thermal conductance at the interface. By taking into account the high electrical conductivity of borophene, our results suggest borophene nanosheets as promising nanofillers to simultaneously enhance the polymers thermal and electrical conductivity.

Keywords: Cystic fibrosis, Cystic Fibrosis Transmembrane Conductance Regulator gene, CFTR, Next Generation Sequencing, Cystic fibrosis carriers

Little is known about how differences in water availability within the “super humid” tropics can influence the distribution of understory plant species and the composition of understory plant communities. We investigated variation in the physiological drought tolerances of understory plants and plant communities across a large elevation and precipitation gradient. We established 58 understory plots along a gradient of 400 – 3600 m asl elevation and 1000 – 6000 mm yr-1 rainfall in and around Manu National Park in southeastern Peru. Within the plots, we sampled all understory woody plants and measured three metrics of physiological leaf drought tolerance - turgor loss point (TLP), cuticular conductance (Gmin), and solute leakage (SL) - and assessed how the community-level means of these traits related to mean annual precipitation (MAP) and elevation (in the study gradient temperature decreases linearly and vapor pressure deficit increases monotonically with elevation). We did not find any correlations between the three metrics of leaf drought tolerance, suggesting that they represent independent strategies for coping with low water availability. Despite being widely used metrics of leaf drought tolerance, neither TLP nor Gmin showed any significant relationships with elevation or MAP. In contrast, SL, which has only recently been developed for use in ecological field studies, increased significantly at higher precipitations and at lower elevations (i.e., plants in colder and drier habitats have lower SL, indicating greater drought tolerances). Our results illustrate that differences in water availability may play a strong role in structuring plant communities even in in the wet tropics and highlight the potential for SL assays to be an efficient and effective tool for measuring drought tolerances in the field.

This work presents a control scheme to control the grid-connected single-phase photovoltaic (PV) system. The considered system has four 250W solar panels, a non-inverting buck-boost DC-DC converter, and DC-AC inverter with LCL filter. The control system aims to track and operate at the maximum power point (MPP) of PV panels, regulate the voltage of DC link, and supply the grid with a unity power factor. To well achieve these goals, the proposed control system consists of three parts, that are MPP tracking controller module with a fuzzy-based modified incremental conductance (INC) algorithm, a DC-link voltage regulator with a hybrid fuzzy proportional-integral (PI) controller, and a Current Controller module using the linear quadratic regulator (LQR) for grid-connected power. Based on fuzzy control and LQR, this work introduces a full control solution for grid-connected single-phase PV systems. The key novelty of this research is to analyze and prove that the newly proposed method is more successful in numerous aspects by comparing and evaluating the previous and present control methods. The designed control system settles quickly, which is critical for output stability. In addition, as compared to backstepping approach used in our past study, the LQR technique is more resistant to sudden changes and disturbances. Furthermore, backstepping method produces the larger overshoot, which has a detrimental impact on efficiency. Simulation findings under various weather conditions were compared to theoretical ones to indicate that the system can deal with variations in weather parameters.

Several strategies promote phyllosphere colonization by soil-born Trichoderma plant-beneficial strains. One of these is foliar spraying with suspensions containing large amounts of chlamydospores – spores with a thick cell wall structure that makes them highly resistant to harsh environmental conditions. Trichoderma biomass was produced by cultivation on cornmeal medium and compared by microscopic and thermogravimetric analysis with the biomass produced in potato dextrose broth. Both analyses revealed higher chlamydospores content and thicker mycelium in the fungal biomass produced on cornmeal medium. The Trichoderma suspension rich in chlamydospores was sprayed on bitter gourd (Momordica charantia) leaves at two concentration levels, 106 and 108 ufc/ml. The effect of these treatments on plant physiological parameters, leaf photosynthetic pigments, polyphenol and flavonoid contents, antioxidant activity of leaves and fruits and yield was compared to the control (plants sprayed with water) and to the experimental treatment sprayed with 108 ufc propagules produced in potato dextrose broth. The effect of chlamydospore-rich suspensions on plant physiological parameters was more pronounced and long-lasting compared with the other treatments. The treatment with chlamydospore-rich suspension enhanced the accumulation of polyphenols and flavonoids in the leaves and fruits and increased the antioxidant activity. The application of the foliar treatment with Trichoderma suspensions did not modify the cytocompatibility of the extracts from fruits determined on L929 cells.

Soybean are vulnerable to drought and temperature increases potentially induced by climate change. The purpose of this study was to determine if the use of cover crops (CC) can influence the gas exchange potential of glyphosate tolerant soybean when the vapor pressure deficit (Vpd) increases. This two years study was conducted in an open experimental field comprising Direct Seeding plots without CC (DS) or with CC (DSCC). Stomatal conductance (Gs) was measured five times on the same identified leaves following GBH application. These leaves were then collected in order to observe the stomata (size, density and stomatal index) with a scanning electron microscope and to perform measurements on foliar traits (venation density, width of midrib). The Vpd was calculated concomitantly to Gs measurements at the leaf surface. The results suggest that the use of CC promotes phenotypic change in soybean leaves (more elaborate venation and a higher stomatal density), which in turn may enhance their tolerance to drier conditions. In 2019, Gs could be up to 29% higher in DSCC plots compared to DS ones along with similar Vpd values. This study shows that the benefits of using CC can be observed through the morphological development strategies of the crop plants and their higher tolerance to drought.

Green infrastructure systems are often overdesigned. This may be a byproduct of static sizing (e.g., accounting for a design storm’s runoff volume but not exfiltration rates) or may be deliberate (e.g., buffering against performance loss through time). Regardless, overdesign may compromise plants’ access to water in systems where soil pits are embedded in infiltration beds. It could raise the storm size required for water to reach soil pits, reducing water availability between storms, which could ultimately induce plant physiological stress. This study investigated the hydrological dynamics and water relations of a tree trench system suspected to have been overbuilt and identified factors contributing to, compounding, and mitigating the risk of plant stress. Results provided strong evidence that the abovementioned processes played out. Water in the infiltration bed reached soil pits only once in three years, with that event occurring during a hydrant release. Moreover, minimal water was retained in the soil pit during the event due to the hydraulic properties of the soil media. Through a growing season, one of the two tree types frequently experienced water stress, while the other did so only rarely. These contrasting responses can likely be attributed to roots either being largely confined to the soil pits or reaching a deeper water source. Implications of these results for green infrastructure design are considered.