Water Fraction Research Articles

An Evaluation of Different Sweet Olive Cultivars with Different Ripening Degrees Grown in the Puglia Region, Southeastern Italy

Some olive cultivars grown in southeastern Italy are characterized by the production of olives with a reduced level of bitterness. They are known as sweet olive cultivars and fruits are usually consumed directly or cooked without any debittering process, offering either health benefits to consumers, thanks to the high content of antioxidants, or an economic benefit to farmers for their higher price with respect to both table and oil olives. This study evaluates and compares the organoleptic, pomological, chemical, and physical parameters of seven sweet olive cultivars at different ripening degrees in the Puglia region over 8 weeks of maturity stage for two consecutive seasons (2022 and 2023). The organoleptic evaluation was performed by a restricted panel of usual consumers/experts of sweet olives. The results showed a higher preference for the olive cultivars locally named Triggiano Dolce, Cerasella, and Mele. Significant differences in weight, length, and width of the fruits were observed based on both cultivar and year. The phenolic composition of olive cultivars was significantly affected by both cultivar and harvest year, with Cazzinicchio and Cellina di Nardò having the highest total polyphenols. The analysis of water fraction extracted from olive samples by liquid chromatography coupled with mass spectrometry led to the identification of eleven compounds belonging to the secoiroids, phenylpropanoids, phenylethanolids, and flavonoids classes. The comparison of these compounds among the studied cultivars highlighted significant differences.

Synthesis and Aggregation-Induced Emission Properties of New Carbazole-Based Pyranones and their Ring-Transformed Derivatives

AbstractA new series of N-phenyl-carbazole (N-phCbz) appended pyranones were designed and synthesized using α-oxo-ketene-S,S-acetal under mild reaction conditions in good yields. The reactivity of donor-acceptor (D-A)-based 2H-pyranones was utilized to develop their ring-transformed benzene-cored N-phenyl-carbazole derivatives. All the synthesized carbazole-based pyranones showed aggregation-induced emission (AIE) characteristics in 80–99% water fraction (f w) in DMSO. Among all the synthesized compounds, 6-(4-(9H-carbazol-9-yl)phenyl)-4-(methylthio)-2-oxo-2H-pyran-3-carbonitrile exhibited excellent AIE behavior with ca. 70-fold increase in fluorescence in 80% fw at 550nm. Furthermore, this compound showed exceptionally high fluorescence in nonpolar solvent (THF) as compared to polar solvents such as DMSO (ca. 200-fold increase in fluorescence). The DFT, DSC, and TGA analyses of the synthesized D-π-A compounds suggested the strong electron-donor ability of N-phCbz, with good thermal stability in the range of 231–393 °C. These N-phenyl-carbazole-appended pyranones with interesting AIE properties have great potential as probes for bioimaging applications as well as for optoelectronic materials.

CrAss-like phages are suitable indicators of antibiotic resistance genes found in abundance in fecally polluted samples

Antibiotic resistance genes (ARGs) have been extensively observed in bacterial DNA, and more recently, in phage particles from various water sources and food items. The pivotal role played by ARG transmission in the proliferation of antibiotic resistance and emergence of new resistant strains calls for a thorough understanding of the underlying mechanisms. The aim of this study was to assess the suitability of the prototypical p-crAssphage, a proposed indicator of human fecal contamination, and the recently isolated crAssBcn phages, both belonging to the Crassvirales group, as potential indicators of ARGs. These crAss-like phages were evaluated alongside specific ARGs (blaTEM, blaCTX-M-1, blaCTX-M-9, blaVIM, blaOXA-48, qnrA, qnrS, tetW and sul1) within the total DNA and phage DNA fractions in water and food samples containing different levels of fecal pollution. In samples with high fecal load (>103 CFU/g or ml of E. coli or somatic coliphages), such as wastewater and sludge, positive correlations were found between both types of crAss-like phages and ARGs in both DNA fractions. The strongest correlation was observed between sul1 and crAssBcn phages (rho = 0.90) in sludge samples, followed by blaCTX-M-9 and p-crAssphage (rho = 0.86) in sewage samples, both in the phage DNA fraction. The use of crAssphage and crAssBcn as indicators of ARGs, considered to be emerging environmental contaminants of anthropogenic origin, is supported by their close association with the human gut. Monitoring ARGs can help to mitigate their dissemination and prevent the emergence of new resistant bacterial strains, thus safeguarding public health.

Nitrate trend reversal in Dutch dual-permeability chalk springs, evaluated by tritium-based groundwater travel time distributions

Historical use of fertilizer and manure on farmlands is known to have a lasting impact on ecosystems and water resources, but few studies assess the legacy of nitrate pollution on groundwater and surface water after farming applications were reduced. We studied the response of nitrate in spring water to a reduction of nitrogen fertilizer applications in agriculture realized since the mid-1980s. We assessed the travel time distribution of groundwater based on a time series of tritium measurements for 90 springs and small brooks that drain a dual porosity chalk aquifer. The travel time distributions were constrained using the tritium data in combination with time series of nitrate concentrations, applying a shape-free travel time distribution model. A clear trend reversal of nitrate concentrations was observed and simulated for springs with a large fraction of young water (< 30 years old) whereas the nitrate response in springs with relatively older water was attenuated and delayed. We conclude that obtaining a time series of tritium data helps to constrain age distributions of water that is discharged from dual permeability aquifers. The fraction of water aged <30 years was a meaningful parameter to distinguish between different types of springs. Nitrate trends in springs that drain large fractions of young water (> 0.6) show higher peak concentrations, shorter lag-time between leaching and outflow peaks and steeper declines after trend reversal, relative to trends in springs which are dominantly fed by older groundwater. The study thus shows that the nitrate legacy of groundwater systems is strongly determined by the range of their travel time distributions, and trend reversal in receiving springs and surface waters may appear within 10 to 15 years after measures to reduce nitrate losses from farming.

Modeling Water Transport in Polymer Electrolyte Membrane Electrolyzers Using a One-Dimensional Transport Model

In this work, we present a water transport model to quantify the movement of water across Nafion® membranes in a proton exchange membrane electrolyzer as a function of varying operating conditions and membrane parameters. This physics-based model is based on the three main water transport mechanisms: diffusion, electro-osmotic drag, and pressure-driven flow. Three sets of equations are obtained to model the movement of water on the cathode side – I. Material balances for hydrogen and water in the flow channel (z-direction), II. Water movement across the membrane in the x-direction, and III. Expressions for variable membrane properties to serve as model inputs. The condensation of water at the cathode is also modeled to understand the respective transport contributions from the vapor and liquid phases. The coupled equation sets are solved numerically with appropriate boundary conditions. An analytical solution is also obtained for the governing differential equation for the mole fraction of water in the vapor phase. This study is perhaps the first effort for a detailed physics-based transport model to predict the water transport in the electrolyzer in one dimension using the actual measured values for the physical parameters of the system. The model results are compared with the experimental data available for water transport, and a good agreement is observed over the wide range of current, temperature and pressure differentials. Further, with the help of this simple transport model, the numerical analysis is performed to delineate the effect of electrolyzer operating conditions on the net water transport across the membrane, water condensation at the cathode, individual contribution of the transport fluxes, and electrolyzer design. Finally, the model is exercised to simulate the dependence of water transport as a function of membrane thickness. This confirms the validity of the current approach of using thin reinforced membranes by electrolyzer fabricators. Figure 1

Surface populations as a model for the distance-dependence of the interfacial refractive index.

Vibrational sum frequency spectra provide information about interfaces that is sensitive to the orientation of molecules, their electronic environment, and the local electric fields. Here, we use molecular dynamics simulations in order to study a surfactant, para-cyanophenol, at the air-water interface. The volume fractions of water and the organic surfactant are considered at various points over the nanometer-scale region in a Lorentz-Lorenz model. We find that the calculated ratios of nonlinear susceptibility tensor elements are in agreement with experimental data only when this depth profile was considered. We also use these data to evaluate the ratio of the C-N hyperpolarizability tensor elements in the interfacial region.

Saturated hydraulic conductivity (Ksat) and topographic controls on baseflow contribution in high-altitude aquifers with complex geology

Mountains in general are important sources of water resources and correspondingly, the Upper Indus Basin (UIB) in the Himalayas provides water for hundreds of millions of users. During low-flow periods, streamflow is fed by a combination of groundwater (baseflow), snow/glacier melt and recent precipitation. However, the proportion of stream baseflow generated by different sources and the factors that control these contributions remain poorly understood. In this paper, we focus on the Western Himalayan Liddar watershed (1243 km2) in the UIB and use a multi-method approach to characterize aquifers and baseflow generation in three nested catchments which represent varying geology and topography. Our multi-method approach includes geophysical surveys, slug tests, stable isotope compositions, young water fraction (Fyw) estimation and a Bayesian end member mixing model. Specifically, we hypothesize that Ksat of the subsurface plays a critical role in the contribution of groundwater to baseflow. The watershed is subdivided into three nested catchments (Limestone, hardrock and alluvium). Our results indicate that the upstream, steep, high-permeability limestone catchment has the relatively largest groundwater contribution to streamflow (63–78 %) and a low Fyw (38 %) than the other two sites. The mid-elevation hard rock catchment has a lower permeability on average but is highly variable due to fracture networks and geologic contacts, allowing a substantial groundwater contribution to streamflow (38–66 %) and a similar Fyw (36 %) to the limestone catchment. The downstream, low-slope catchment underlain by alluvium has a highly variable hydraulic conductivity and a substantially lower groundwater contribution to streamflow (26–45 %) and a higher Fyw (55 %). We find that both hydraulic conductivity and topography exert control on the magnitude of baseflow contribution to the stream. However, Ksat acts as a key control in groundwater contribution to baseflow as observed in headwaters and downstream region of the watershed. While unconsolidated deposits are often thought of as important high-porosity mountain aquifers, our results point to the importance of fractured and karstified bedrock in baseflow generation in high mountains. As climate change alters the snow- and ice-melt regimes of UIB rivers, our study underscores the critical importance of improving our understanding of baseflow sources.

Fat-suppression T2 relaxation time and water fraction predict response to intravenous glucocorticoid therapy for thyroid-associated ophthalmopathy.

To investigate the value of fat-suppression (FS) T2 relaxation time (T2RT) derived from FS T2 mapping and water fraction (WF) derived from T2 IDEAL to predict the treatment response to intravenous glucocorticoids (IVGC) in patients with thyroid-associated ophthalmopathy (TAO) based on texture analysis. In this study, 89 patients clinically diagnosed with active and moderate-to-severe TAO were enroled (responsive group, 48 patients; unresponsive group, 41 patients). The baseline clinical characteristics and texture features were compared between the two groups. Multivariate analysis was performed to identify the independent predictors of treatment response to IVGC. ROC analysis and the DeLong test were used to assess and compare the predictive performance of different models. The responsive group exhibited significantly shorter disease duration and higher 90th percentile of FS T2RT and kurtosis of WF in the extraocular muscle (EOM) and 95th percentile of WF in the orbital fat (OF) than the unresponsive group. Model 2 (disease duration + WF; AUC, 0.816) and model 3 (disease duration + FS T2RT + WF; AUC, 0.823) demonstrated superior predictive efficacy compared to model 1 (disease duration + FS T2RT; AUC, 0.756), while there was no significant difference between models 2 and 3. The orbital tissues of responders exhibited more oedema and heterogeneity. Furthermore, OF is as valuable as EOM for assessing the therapeutic efficacy of IVGC. Finally, WF derived from T2 IDEAL processed by texture analysis can provide valuable information for predicting the treatment response to IVGC in patients with active and moderate-to-severe TAO. The texture features of FS T2RT and WF are different between responders and non-responders, which can be the predictive tool for treatment response to IVGC. Texture analysis can be used for predicting response to IVGC in TAO patients. TAO patients responsive to IVGC show more oedema and heterogeneity in the orbital tissues. WF from T2 IDEAL is a tool to predict the therapeutic response of TAO.

Pretreatment with nano-silver extends the post-harvest longevity of gladiolus cut flowers by reducing free water mobility

The water content of cut flowers is a significant factor in their post-harvest quality. In this study, we examine the efficacy of silver nanoparticles (NS) on the longevity of cut gladiolus, with a focus on water state and distribution. We used Low-field nuclear magnetic resonance (LF-NMR) technology to identify three water fractions with different transverse relaxation times (T2) values: bound water T21 (<10 ms), intermediate immobilized water T22 (10–100 ms), and the slowest component free water T23 (>10 ms). During the opening process, T23 increased at stages 2 and 3 and then decreased, T22 decreased slowly, and T21 remained unchanged. Free water values were consistently higher than bound water and immobilized water and reached their maximum from stage 2 until stage 4, when the petals were extended and began to wilt. The vascular bundles responsible for transporting water had higher water content, as detected by proton density-weighted magnetic resonance imaging (MRI). Bound water and free water with NS pretreatments in bracts were initially lower but then two days later the signal amplitude of each water state exceeded those of the control, indicating that the treatment enhanced the water-holding capacity over time. Furthermore, NS pretreatments reduced the free water mobility of the cut flowers and inhibited stem decay. Additionally, we found that NS can enter the stem and are primarily transported upward along the xylem with water using scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS) technology. Overall, our findings indicate that NS pretreatment reduces free water in gladiolus cut flowers, enhancing their water retention and prolonging their vase life.

A multi-stimuli-responsive fluorescence material based on 1,8-naphthalimide.

A pair of 1,8-naphthalimides (NPIs) were designed and successfully synthesized through embellishing amino-containing NPI with 4-diethylaminosalicyladehyde and 4-diethylaminobenzaldehyde, respectively. Their structures were fully confirmed by 1H/13C NMR, HR-MS and FT-IR spectroscopic studies. Their photophysical properties were systematically investigated in different solvents of varied polarity, in THF/water mixtures with varying water fractions (fw), and in THF solvent with varying concentrations of NPIs. It inferred that the distinct differences in emission between two NPIs during self-assembled process could be ascribed that the hydroxyl-containing NPI allowed the excited-state intramolecular proton transfer process between -OH and CH=N units in the aggregation state. Interestingly, the solid of 4-diethylaminosalicyladehyde-functionalized NPI exhibited multi-stimuli-responsive fluorescence changes involving mechanofluorochromism and HCl/NH3 vapor stimulus-induced conversion. However, no remarkable change was observed in the photoluminescence (PL) spectra for the solid of 4-diethylaminobenzaldehyde-functionalized NPI under the stimuli of mechanical force and organic solvent.

Three super-Earths and a possible water world from TESS and ESPRESSO

Context. Since 2018, the ESPRESSO spectrograph at the VLT has been hunting for planets in the southern skies via the radial velocity (RV) method. One of its goals is to follow up on candidate planets from transit surveys such as the TESS mission, with a particular focus on small planets for which ESPRESSO’s RV precision is vital. Aims. We aim to confirm and characterise, in detail, three super-Earth candidate transiting planets from TESS using precise RVs from ESPRESSO. Methods. We analysed photometry from TESS and ground-based facilities, high-resolution imaging, and RVs from ESPRESSO, HARPS, and HIRES, to confirm and characterise three new planets: TOI-260 b, transiting a late K dwarf, and TOI-286 b and c, orbiting an early K dwarf. We also updated the parameters for the known super-Earth TOI-134 b (L 168-9 b), which is hosted by an M dwarf. Results. TOI-260 b has a 13.475853−0.000011+0.000013 d period, 4.23 ± 1.60 M⊕ mass, and 1.71 ± 0.08 R⊕ radius. For TOI-286 b we find a 4.5117244−0.0000027+0.0000031 d period, 4.53 ± 0.78 M⊕ mass, and 1.42 ± 0.10 R⊕ radius; for TOI-286 c, we find a 39.361826−0.000081+0.000070 d period, 3.72 ± 2.22 M⊕ mass, and 1.88 ± 0.12 R⊕ radius. For TOI-134 b we obtain a 1.40152604−0.00000082+0.00000074 d period, 4.07 ± 0.45 M⊕ mass, and 1.63 ± 0.14 R⊕ radius. Circular models are preferred for all the planets, although for TOI-260 b the eccentricity is not well constrained. We computed bulk densities and placed the planets in the context of composition models. Conclusions. TOI-260 b lies within the radius valley, and is most likely a rocky planet. However, the uncertainty on the eccentricity and thus on the mass renders its composition hard to determine. TOI-286 b and c span the radius valley, with TOI-286 b lying below it and having a likely rocky composition, while TOI-286 c is within the valley, close to the upper border, and probably has a significant water fraction. With our updated parameters for TOI-134 b, we obtain a lower density than previous findings, giving a rocky or Earth-like composition.

Tracking atrazine degradation in soil combining 14C-mineralisation assays and compound-specific isotope analysis

The quantification of pesticide dissipation in agricultural soil is challenging. In this study, we investigated atrazine biodegradation in both liquid and soil experiments bioaugmented with distinct atrazine-degrading bacterial isolates. This was achieved by combining 14C-mineralisation assays and compound-specific isotope analysis of atrazine. In liquid experiments, the three bacterial isolates mineralised over 40% of atrazine, demonstrating their potential for extensive degradation. However, the kinetics of mineralisation and degradation varied among the isolates. Carbon stable isotope fractionation was similar for Pseudomonas isolates ADPT34 and ADP2T0, but slightly higher for Chelatobacter SR27. In soil experiments, atrazine primarily degraded into atrazine-desethyl, while atrazine-hydroxy was mainly observed in experiments with SR27. Atrazine mineralisation in soil by ADPT34 and SR27 exceeded 40%, whereas ADP2T0 exhibited a mineralisation rate of 10%. In experiments with ADPT34 and SR27, atrazine 14C-residues were predominantly found in the non-extractable fraction, whereas they accumulated in the extractable fraction in the experiment with ADP2T0. Compound-specific isotope analysis (CSIA) relies on changes of stable isotope ratios and holds potential to evaluate herbicide transformation in soil. CSIA of atrazine indicated atrazine biodegradation in water and solvent extractable soil fractions and varied between 29% and 52%, depending on the bacterial isolate. Despite atrazine degradation in both soil fractions, a significant portion of atrazine residues persisted, depending on the bacterial degrader, initial cell concentration, and mineralisation and degradation rates. Overall, our approach can aid in quantifying atrazine persistence and degradation in soil, and in optimizing bioaugmentation strategies for remediating soils contaminated with persistent herbicides.

A rhodamine-based AIE chemodosimeter for ratiometric fluorescent sensing Hg2+ and cell imaging application

In this work, a tetraphenyl ethylene functionalized rhodamine chemodosimeter, namely, TRP, has been designed, built, and structurally determined. The chemodosimeter exhibited an AIE effect in an EtOH-H2O mixture with the maximal emission intensity at 463 nm at a water fraction of 70 %. Then TRP was applied for ratiometric monitoring of Hg2+ ions in EtOH/H2O solution (v/v = 3/7), presenting about a 35-fold fluorescence intensity ratio enhancement (F649/F463), visible color changes, and well-resolved emission bands (187 nm). In addition, TRP showed high selectivity and sensitivity in Hg2+ ions sensing and achieved a limit of detection (LOD) of 10.0 nM, which was mainly attributed to the production of an oxadiazole functionalized and spirolactam ring opened rhodamine derivative-induced by Hg2+ ions. Significantly, using TRP as a tracer, ratiometric fluorescent detection of Hg2+ ion has been successfully conducted via living cell imaging, demonstrating its potential for practical applications in biological systems.

Experimental and theoretical study of the photochemical properties and acidochromism of nonconventional 2,4,6-triarylpyridine-based materials

2,4,6-Triarylpyridines (TAPs) represent a versatile class of N-heterocycles with broad applications in many fields. This study presents an investigation on photochemical properties and acidochromism behavior of novel 2,6-bis(4-(dodecyloxy)phenyl)-4-(4-substituted-phenyl)pyridine-based derivatives (1a-1g). Photochemical study in dichloromethane (DCM) and acetone (ACT) solutions showed a small solvent effect for the TAP derivatives, except for the carbazole derivative 1a, which was characterized as the most emissive material in all conditions, but especially in DCM solution for blue emission (λEM = 406 nm, ϕf = 0.36). The presence of electron-donating groups at the 4-phenyl moiety contributes to more intense and redshifted emissions in both DCM and ACT solutions, as well as in the solid state. In aqueous ACT, while TAPs bearing EDGs such as 1a presented more intense emissions depending on the water fraction, an opposite effect was verified for fluorinated derivative 1f. The acidochromism of selected TAPs 1a and 1f (fluorinated derivative) in aqueous acetone was characterized by the decreasing of the emission intensity at 436 nm and 388 nm, respectively, in the presence of aqueous HCl for both TAPs, however, the protonated 1f showed strong emission in higher wavelength (λEM = 476 nm) in acidic medium. A 1H NMR study allowed a better understanding of the structural features associated to the acidochromism. The photochemical and acidochromism results obtained for the TAP derivatives are strongly supported by computational results, and particularly noteworthy is the favoring of the resonance effect as consequence of the decreasing in the torsion angle between the 4-alkoxyaryl substituents and the pyridine core after protonation of 1f. The emissive properties and acidochromism capacity of 1a and 1f allowed the potential application of TAP-adsorbed paper strips as disposable sensors for qualitative detection of gaseous HCl.

The myelin water imaging transcriptome: myelin water fraction regionally varies with oligodendrocyte-specific gene expression

Identifying sensitive and specific measures that can quantify myelin are instrumental in characterizing microstructural changes in neurological conditions. Neuroimaging transcriptomics is emerging as a valuable technique in this regard, offering insights into the molecular basis of promising candidates for myelin quantification, such as myelin water fraction (MWF). We aimed to demonstrate the utility of neuroimaging transcriptomics by validating MWF as a myelin measure. We utilized data from a normative MWF brain atlas, comprised of 50 healthy subjects (mean age = 25 years, range = 17–42 years) scanned at 3 Tesla. Magnetic resonance imaging data included myelin water imaging to extract MWF and T1 anatomical scans for image registration and segmentation. We investigated the inter-regional distributions of gene expression data from the Allen Human Brain Atlas in conjunction with inter-regional MWF distribution patterns. Pearson correlations were used to identify genes with expression profiles mirroring MWF. The Single Cell Type Atlas from the Human Protein Atlas was leveraged to classify genes into gene sets with high cell type specificity, and a control gene set with low cell type specificity. Then, we compared the Pearson correlation coefficients for each gene set to determine if cell type-specific gene expression signatures correlate with MWF. Pearson correlation coefficients between MWF and gene expression for oligodendrocytes and adipocytes were significantly higher than for the control gene set, whereas correlations between MWF and inhibitory/excitatory neurons were significantly lower. Our approach in integrating transcriptomics with neuroimaging measures supports an emerging technique for understanding and validating MRI-derived markers such as MWF.

Exploring the therapeutic potential of Thai medicinal plants: in vitro screening and in silico docking of phytoconstituents for novel anti-SARS-CoV-2 agents

BackgroundThe high virulence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), responsible for coronavirus disease 2019 (COVID-19), has triggered global health and economic concerns. The absence of specific antiviral treatments and the side effects of repurposed drugs present persistent challenges. This study explored a promising antiviral herbal extract against SARS-CoV-2 from selected Thai medicinal plants based on in vitro efficacy and evaluated its antiviral lead compounds by molecular docking.MethodsTwenty-two different ethanolic-aqueous crude extracts (CEs) were rapidly screened for their potential activity against porcine epidemic diarrhea virus (PEDV) as a surrogate using a plaque reduction assay. Extracts achieving ≥ 70% anti-PEDV efficacy proceeded to the anti-SARS-CoV-2 activity test using a 50% tissue culture infectious dose method in Vero E6 cells. Molnupiravir and extract-free media served as positive and negative controls, respectively. Potent CEs underwent water/ethyl acetate fractionation to enhance antiviral efficacy, and the fractions were tested for anti-SARS-CoV-2 performance. The fraction with the highest antiviral potency was identified using liquid chromatography–high-resolution mass spectrometry (LC–HRMS). Molecular docking analyses of these compounds against the main protease (Mpro) of SARS-CoV-2 (6LU7) were performed to identify antiviral lead molecules. The top three hits were further evaluated for their conformational stability in the docked complex using molecular dynamics (MD) simulation.ResultsThe water fraction of mulberry (Morus alba Linn.) leaf CE (WF-MLCE) exhibited the most potent anti-SARS-CoV-2 efficacy with low cytotoxicity profile (CC50 of ~ 0.7 mg/mL), achieving 99.92% in pre-entry mode and 99.88% in postinfection treatment mode at 0.25 mg/mL. Flavonoids and conjugates were the predominant compounds identified in WF-MLCE. Molecular docking scores of several flavonoids against SARS-CoV-2 Mpro demonstrated their superior antiviral potency compared to molnupiravir. Remarkably, myricetin-3-O-β-D-galactopyranoside, maragrol B, and quercetin 3-O-robinobioside exhibited binding energies of ~ − 9 kcal/mol. The stability of each ligand–protein complex of these compounds with the Mpro system showed stability during MD simulation. These three molecules were pronounced as antiviral leads of WF-MLCE. Given the low cytotoxicity and high antiviral potency of WF-MLCE, it holds promise as a candidate for future therapeutic development for COVID-19 treatment, especially considering its economic and pharmacological advantages.

Impact of Soil Moisture Depletion on Various Yield Components and Water Usage to Trigger Pods in Chickpea (Cicer arietinum L.) Desi Genotypes

ABSTRACTChickpeas are well adapted to rainfed conditions, but a lack of moisture during the reproductive phase can result in lower pod setting and ultimately reduced grain yield. The exact reasons for this reduction are not fully understood, partly because of the lack of information on soil moisture content (SMC) and water use during podding. This study aimed to address this knowledge gap by quantifying the impact of gradual drought on various yield components of desi‐type genotypes using the fraction of transpirable soil water (FTSW) method. Two water treatments were applied at the start of anthesis: well‐watered (WW) and drought‐stressed (DS). The WW was maintained at 24% SMC, whereas the DS was dried to 3% SMC. The results showed that DS caused early podding (3.3 days less), with reductions in plant height (11.4 cm), leaf area (1249.5 cm2), flowers (18.6), pods (27.4), seeds (37.0), grain yield (0.2 g), aboveground dry biomass (11.4 g) and harvest index (0.2 g), while increasing flower abortion (14.6) and seed biomass (1.5 g). However, diverse genotypic responses were observed to treatments, as well as water usage, FTSW and SMC that triggered pods which ranged from 1.12 to 1.89 L, 0.05 to 0.43 and 4.0% to 12.2%, respectively. A positive association between days taken and the amount of water used to terminate pods indicated that quicker‐triggering genotypes, such as Rupali and Genesis 836, consumed less water to develop pods than Flipper, ICCV_06109 and PBA Slasher did. Conversely, the negative association between the amount of water used and the number of pods triggered, seeds and grain yield explained the superior performance of Rupali and Genesis 836. These genotypes extracted less water (FTSW = 0.36 and 0.43; SMC = 10.3% and 12.2%, respectively) to develop pods and maintained favourable photosynthesis at lower transpiration rates for longer periods, allowing them to use residual moisture more efficiently. Our research offers crucial insights that can be beneficial to breeders and physiologists, paving the way for future studies aimed at developing drought‐tolerant genotypes.

Pea protein isolate-kappa-carrageenan complex coacervate as a lecithin substitute and their effect on physical properties, polymorphism, and melting behaviour of dark chocolates

This study used pea protein isolate (4% w/w) and kappa-carrageenan (4% w/w) to prepare complex coacervate through electrostatic interactions by optimizing the pH and ratio of protein-to-polysaccharide. The maximum coacervate yield of 81% was achieved at the optimized pH of 3.0 and the protein-to-polysaccharide ratio of 4:1. The optimized coacervate at various concentrations (1, 1.5, 2, 2.5, and 3% w/v) was assessed to emulsify cocoa butter to water fractions. The 2% w/v of complex coacervate successfully emulsified up to 40% aqueous phase in cocoa butter to water fractions whereas complex coacervates at 1%, 1.5%, 2.5%, and 3% w/v were found to stabilize only 20% aqueous phase. The storage and temperature stability of emulsions were higher upon usage of 2% w/v complex coacervate as the serum layer separation was minimal. Based on the emulsion stability observations, complex coacervate (2% w/v) was used to partially and completely substitute lecithin in dark chocolates. The results showed that irrespective of the emulsifiers utilized, the polymorphism and melting behaviour of all chocolates remained the same and retained the desired polymorphic form V. The moisture content and particle size distribution of chocolates did not exceed the acceptable limit. The Casson plastic viscosity (ηca), Casson yield stress (τ0c), and hardness (N) of chocolates significantly (p < 0.05) increased upon increasing the complex coacervate. The present findings revealed that partial substitution (50%) of lecithin with complex coacervate is highly promising for the production of dark chocolates while retaining the desirable flow properties and polymorphism.

Platelet-Rich Plasma for Patellar Tendinopathy: A randomized controlled trial correlating clinical outcomes and quantitative imaging

Abstract Background Patellar tendinopathy (PT) is a common overuse injury in active individuals, often with incomplete recovery. Recently, platelet-rich plasma (PRP) treatment has shown promising results. Traditional qualitative markers are not reliable indicators of treatment response. Advanced quantitative imaging, such as Ultrashort-TE (UTE) MRI and ultrasound (US) shear-wave elastography (SWE) may be valuable adjuncts. Purpose To investigate the clinical outcomes and quantitative imaging changes in adults with symptomatic patellar tendinopathy treated with PRP, needle tenotomy (NT) or sham injection (SH). Materials and Methods Single-blinded prospective randomized controlled trial from April 2017 until July 2022 with three parallel interventions in athletes with symptomatic PT: PRP, NT and SH. VAS pain, VISA-P function, conventional US, shear wave speed (SWS), UTE T2* relaxation time (T2*single) and T2* fraction of fast-relaxing macromolecular-bound water (FF) were acquired at 0, 16 and 52-weeks. Longitudinal analyses were used to compare intra- and inter-group differences over time. Correlations were assessed by Pearson’s correlation coefficient. Results 29 subjects (mean age, 26.1±5.3 years; 82.8% men) were randomized. At 52-weeks all groups demonstrated a significant improvement in pain, though most pronounced within the PRP group (ΔVAS=-5.9, 95% confidence interval (CI) [-7.8, -3.9], p&amp;lt;.001). SWS increased significantly only in the PRP group (Δ+2.3, [0.8, 3.9], p=.003). Change in SWS was moderately correlated with change in pain across all groups (r=-.52, [-.76, -.15], p=.009). FF significantly increased in all groups (Δ=0.10-0.11, p=.024-0.046); a significant decrease in T2*single was only seen in the PRP group (Δ=-8.07, [-14.6, -1.55], p=.014). Conclusion Clinical improvement was evident irrespective of treatment but was greatest with PRP. SWS correlated with improvement in pain and may represent an adjunctive measure to assess healing in patellar tendinopathy. Correlative changes in T2* UTE quantitative markers suggest their potential for response assessment, but further research is needed to clarify their clinical applicability.

Stable isotopes of landfast sea ice as a record of La Grande River under-ice plume dispersal

Vertical profiles of salinity, and isotopic abundance ratios of hydrogen (δ2H) and oxygen (δ18O) of 18 landfast ice cores, collected along the northeast coast of James Bay in March 2019, and one ice core collected in Belcher Islands, were used to obtain the winter timeseries of the spatiotemporal evolution of the under-ice plume of La Grande River (LGR), the dominant river in the area. Variability in the isotopic composition and salinity of the ice cores indicated changes to the water source composition at the ice–water interface when the ice layers formed. The increased presence of river water beneath the ice during January–March was marked by more negative isotopic ratios in the lower portion of the ice as river discharge was increased for hydroelectric production. River water was the source of ∼43% of the ice in our ice core samples ( n = 320) with the interquartile range from 16% to 71%. The river water fractions incorporated into the ice indicate that LGR under-ice plume extended more than 75 km north and at least 30 km south of the river mouth for ∼3 months. These findings correspond well with more challenging to obtain hydrographic observations. End-of-winter ice core sampling and analysis for isotopic abundance has potential as a tool to monitor dispersal of LGR discharge into the ice-covered coastal environment.