Low-Cost Self-Reconstructed High Entropy Oxide as an Ultra-Durable OER Electrocatalyst for Anion Exchange Membrane Water Electrolyzer.

Future energy loss can be minimized to a greater extent via developing highly active electrocatalysts for alkaline water electrolyzers. Incorporating an innovative design like high entropy oxides, dealloying, structural reconstruction, in situ activation can potentially reduce the energy barriers between practical and theoretical potentials. Here, a Fd-3m spinel group high entropy oxide is developed via a simple solvothermal and calcination approach. The developed (FeCoMnZnMg)3O4 electrocatalyst shows a near equimolar distribution of all the metal elements resulting in higher entropy (ΔS ≈1.61R) and higher surface area. The self-reconstructed spinel high entropy oxide (S-HEO) catalyst exhibited a lower overpotential of 240 mV to reach 10 mA cm-2 and enhanced reaction kinetics (59 mV dec-1). Noticeably, the S-HEO displayed an outstanding durability of 1000 h without any potential loss, significantly outperforming most of the reported OER electrocatalysts. Further, S-HEO is evaluated as the anode catalyst for an anion exchange membrane water electrolyzer (AEMWE) in 1 m, 0.1 m KOH, and DI water at 20 and 60 °C. These results demonstrate that S-HEO is a highly attractive, non-noble class of materials for high active oxygen evolution reaction (OER) electrocatalysts allowing fine-tuning beyond the limits of bi- or trimetallic oxides.

Biomass Derived Biofluorescent Carbon Dots for Energy Applications: Current Progress and Prospects.

Biomass resources are often disposed of inefficiently and it causes environmental degradation. These wastes can be turned into bio-products using effective conversion techniques. The synthesis of high-value bio-products from biomass adheres to the principles of a sustainable circular economy in a variety of industries, including agriculture. Recently, fluorescent carbon dots (C-dots) derived from biowastes have emerged as a breakthrough in the field, showcasing outstanding fluorescence properties and biocompatibility. The C-dots exhibit unique quantum confinement properties due to their small size, contributing to their exceptional fluorescence. The significance of their fluorescent properties lies in their versatile applications, particularly in bio-imaging and energy devices. Their rapid and straight-forward production using green/chemical precursors has further accelerated their adoption in diverse applications. The use of green precursors for C-dot not only addresses the biomass disposal issue through a scientific approach, but also establishes a path for a circular economy. This approach not only minimizes biowaste, which also harnesses the potential of fluorescent C-dots to contribute to sustainable practices in agriculture. This review explores recent developments and challenges in synthesizing high-quality C-dots from agro-residues, shedding light on their crucial role in advancing technologies for a cleaner and more sustainable future.

Perforated peptic ulcer disease in transferred patients is associated with significant increase in length of stay.

BACKGROUND: Perforated peptic ulcer disease (PPUD) has a prevalence of 0.004-0.014% with mortality of 23.5% (Tarasconi et al. in World J Emerg Surg 15(PG-3):3, 2020). In this single center study, we examined the impact associated with patient transfer from outside facilities to our center for definitive surgical intervention (exploratory laparotomy). METHODS: Using EPIC report workbench, we identified 27 patients between 2018 and 2021 undergoing exploratory laparotomy with a concurrent diagnosis of peptic ulcer disease, nine of which were transferred to our institution for care. We queried this population for markers of disease severity including mortality, length of stay, intensive care unit (ICU) length of stay, and readmission rates. Manual chart reviews were performed to examine these outcomes in more detail and identify patients who had been transferred to our facility for surgery from an outside hospital. RESULTS: A total of 27 patients were identified undergoing exploratory laparotomy for definitive treatment of PPUD. The majority of patients queried underwent level A operations, the most urgent level of activation. In our institution, a Level A operation needs to go to the operating room within one hour of arrival to the hospital. Average mortality for this patient population was 14.8%. The readmission rate was 40.1%, and average length of ICU stay post-operatively was 16 days, with 83% of non-transfer patients requiring ICU admission and 100% of transfer patients requiring ICU admission, although this was not found to be statistically significant. Average length of hospital stay was 27 days overall. For non-transfer patients and transfer patients, LOS was 20 days and 41 days, respectively, which was statistically significant by one-sided t-test (p = 0.05). CONCLUSION: Patients transferred for definitive care of PPUD in a population otherwise notable for high mortality and high readmission rates: their average length of stay compared to non-transfer patients was over twice the length, which was statistically significant. Transferred patients also had higher rates of ICU care requirement although this was not statistically significant. Further inquiry to identify modifiable variables to facilitate the care of transferred patients is warranted, especially in the context of improving quality metrics known to enhance patient outcomes, satisfaction, and value.

Developing Outstanding Bifunctional Electrocatalysts for Rechargeable Zn-Air Batteries Using High-Purity Spinel-Type ZnCo2 Se4 Nanoparticles.

Zinc-air batteries are gaining popularity as viable energy sources for green energy storage technologies. The cost and performance of Zn-air batteries are mostly determined by the air electrodes in combination with an oxygen electrocatalyst. This research aims at the particular innovations and challenges relating to air electrodes and related materials. Here, a nanocomposite of ZnCo2 Se4 @rGO that exhibits excellent electrocatalytic activity for the oxygen reduction reaction, ORR (E1/2  = 0.802 V), and oxygen evolution reaction, OER (η10  = 298 mV@10 mA cm-2 ) is synthesized. In addition, a rechargeable zinc-air battery with ZnCo2 Se4 @rGO as the cathode showed a high open circuit voltage (OCV) of 1.38 V, a peak power density of 210.4 mW cm-2 , and outstanding long-term cycling stability. The electronic structure and oxygen reduction/evolution reaction mechanism of the catalysts ZnCo2 Se4 and Co3 Se4 are further investigated using density functional theory calculations. Finally, a perspective for designing, preparing, and assembling air electrodes is suggested for the future developments of high-performance Zn-air batteries.

An efficient metal free synthesis of 2-aminobenzothiozoles - a greener approach.

A facile one-pot, metal-free method for the synthesis of 2-aminobenzothiazoles was developed, which includes an initial reaction of electron-deficient 2-haloanilines with aromatic isothiocyanates and the subsequent intramolecular cyclization of the resulting thioureas through the SNAr mechanism. This one-pot, atom-economical, robust, and scalable method avoids the use of reagents such as acid chlorides and Lawesson's reagent that are difficult to handle.

Correction: An efficient metal free synthesis of 2-aminobenzothiozoles - a greener approach.

Correction for 'An efficient metal free synthesis of 2-aminobenzothiozoles - a greener approach' by Krithika Ganesh et al., Org. Biomol. Chem., 2023, 21, 564-568, https://doi.org/10.1039/D2OB01981G.

Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study.

In this study, we employ the framework of first-principles density functional theory (DFT) computations to investigate the physical, electrical, bandgap and thermal conductivity of Cs2AgInCl6-CAIC (type I) and Cs2AgSbCl6-CASC (type II) using the GGA-PBE method. CAIC possesses a direct band gap energy of 1.812 eV, while CASC demonstrates an indirect band gap energy of 0.926 eV. The CAIC and CASC exhibit intriguingly reduced thermal conductivity, which can be attributed to the notable reduction in their respective Debye temperatures, measuring 182 K and 135 K, respectively. The Raman active modes computed under ambient conditions have been compared with real-world data, showing excellent agreement. The thermal conductivity values of CAIC and CASC compounds exhibit quantum mechanical characteristics, with values of 0.075 and 0.25 W m-1 K-1, respectively, at 300 K. It is foreseen that these outcomes will generate investigations concerning phosphors and diodes that rely on single emitters, with the aim of advancing lighting and display technologies in the forthcoming generations.

Correction: Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study.

Correction for 'Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study' by Keqing Zhang et al., Phys. Chem. Chem. Phys., 2023, 25, 31848-31868, https://doi.org/10.1039/d3cp03795a.

Isolation, screening, characterization, and optimization of bacteria isolated from calcareous soils for siderophore production.

The most effective agricultural practice to prevent iron deficiency in calcareous soils is fertilizing with synthetic chelates. These compounds are non-biodegradable, and persistent in the environment; hence, there is a risk of leaching metals into the soil horizon. To tackle iron deficiency-induced chlorosis (IDC) in crops grown on calcareous soils, environmentally friendly solutions are needed rather than chemical application as it affects the soil health further. Hence, the present work focused on isolating and screening calcareous soil-specific bacteria capable of producing iron-chelating siderophores. Siderophore-producing bacteria (SPB) was isolated from the groundnut (Arachis hypogea L.) rhizosphere region, collected from Coimbatore district, Tamil Nadu, of which 17 bacterial isolates were positive for siderophore production assayed by chrome azurol sulphonate. The performance of SPB isolates was compared for siderophore kinetics, level of siderophore production, type of siderophore produced and iron-chelating capacity under 15 mM KHCO3. Four best performing isolates were screened, with average siderophores yield ranging ∼60-80% under pH 8, with sucrose as carbon source and NH2SO4 as nitrogen source at 37 °C. The four efficient SPB were molecularly identified as B. licheniformis, B. subtilis, B. licheniformis, and O. grignonense based on 16S rDNA sequencing. The simultaneous inhibition method showed T.viride has the highest antagonistic effect against S.rolfsii, and M.phaseolina with a reduction of mycelial growth by 69.3 and 65.1%, respectively, compared to control. Our results indicate that the optimized conditions enhanced siderophores chelation by suppressing the stem and root rot fungi, which could help in a cost-effective and environmentally friendly manner.

A study to determine the impact of IMPT optimization techniques on prostate synthetic CT image sets dose comparison against CT image sets.

Background: The objective of this study is to determine the impact of intensity modulated proton therapty (IMPT) optimization techniques on the proton dose comparison of commercially available magnetic resonance for calculating attenuation (MRCA T) images, a synthetic computed tomography CT (sCT) based on magnetic resonance imaging (MRI) scan against the CT images and find out the optimization technique which creates plans with the least dose differences against the regular CT image sets. Material and methods: Regular CT data sets and sCT image sets were obtained for 10 prostate patients for the study. Six plans were created using six distinct IMPT optimization techniques including multi-field optimization (MFO), single field uniform dose (SFUD) optimization, and robust optimization (RO) in CT image sets. These plans were copied to MRCA T, sCT datasets and doses were computed. Doses from CT and MRCA T data sets were compared for each patient using 2D dose distribution display, dose volume histograms (DVH), homogeneity index (HI), conformation number (CN) and 3D gamma analysis. A two tailed t-test was conducted on HI and CN with 5% significance level with a null hypothesis for CT and sCT image sets. Results: Analysis of ten CT and sCT image sets with different IMPT optimization techniques shows that a few of the techniques show significant differences between plans for a few evaluation parameters. Isodose lines, DVH, HI, CN and t-test analysis shows that robust optimizations with 2% range error incorporated results in plans, when re-computed in sCT image sets results in the least dose differences against CT plans compared to other optimization techniques. The second best optimization technique with the least dose differences was robust optimization with 5% range error. Conclusion: This study affirmatively demonstrates the impact of IMPT optimization techniques on synthetic CT image sets dose comparison against CT images and determines the robust optimization with 2% range error as the optimization technique which gives the least dose difference when compared to CT plans.

Genome-wide identification, characterization and expression analysis of non-RD receptor like kinase gene family under Colletotrichum truncatum stress conditions in hot pepper.

Receptor like kinases (RLKs) are preserved upstream signaling molecules which regulate several biological processes from plant development to various stress adaptation programs. Non arginine aspartate (non-RD) a prominent class of RLKs plays a significant role in disease resistance and apoptosis in plants. In present investigation, a comprehensive in silico analysis for non-RD Kinase gene family as well as identification of gene structures, sequence similarity, chromosomal localization, gene duplication analysis, promoter analysis, transcript expression profiles and phylogenic studies were done. In this study, twenty-six genes were observed on nine out of twelve chromosomes. All these genes were clustered into five subfamilies under large monophyletic group termed as Interleukin-1 Receptor-Associated Kinase (IRAK) family. Some of the important physiochemical properties of twenty-six proteins are determined and ranged in the following order: (a) Amino acids size ranged from (620 to 1781) (b) Molecular weight ranged as of (70.11 to 197.11 KDa) and (c) Theoretical PI ranged from (5.69 to 8.63) respectively. Structural diversity in genomic structure among non-RD kinase gene family was identified and presence of pathogen induced cis regulatory elements including STRE, MYC, MYB, and W box were found. Expression profiles revealed the potential ability of three genes CaRLK1 from LRRXII and CaRLK15,16 from stress antifung subfamily were pointedly upregulated beyond the severe stress time period (9 DAI) in anthracnose resistant genotype PBC-80 in response to Colletotrichum truncatum infection. Subsequently, in silico studies from the available genome sequencing data helped us to identify candidate genes tangled in inducing disease resistance.

Enhanced prediction of recombination hotspots using input features extracted by class specific autoencoders.

In yeast and in some mammals the frequencies of recombination are high in some genomic locations which are known as recombination hotspots and in the locations where the recombination is below average are consequently known as coldspots. Knowledge of the hotspot regions gives clues about understanding the meiotic process and also in understanding the possible effects of sequence variation in these regions. Moreover, accurate information about the hotspot and coldspot regions can reveal insights into the genome evolution. In the present work, we have used class specific autoencoders for feature extraction and reduction. Subsequently the deep features that are extracted from the autoencoders were used to train three different classifiers, namely: gradient boosting machines, random forest and deep learning neural networks for predicting the hotspot and coldspot regions. A comparative performance analysis was carried out by experimenting on deep features extracted from different sets of the training data using autoencoders for selecting the best set of deep features. It was observed that learning algorithms trained on features extracted from the combined class specific autoencoder out performed when compared with the performances of these learning algorithms trained with other sets of deep features. So the combined class-specific autoencoder based feature extraction can be applied to a growing range of biological problems to achieve superior prediction performance.

Toxicity impact of fenvalerate on the gill tissue of Oreochromis mossambicus with respect to biochemical changes utilizing FTIR and principal component analysis.

The use of pesticides in agriculture can make their way into the earth and wash into the amphibian system causing ecological stress. This study aims to understand the changes occurring in gill tissues as a result of fenvalerate exposure using Fourier-transform infrared spectroscopy. The intensity ratio of the selected bands I1545/I1657, I2924/I2853, and I1045/I1545 measures changes in proteins, lipids, and carbohydrates. Curve-fitting analysis was performed in the selected band region to analyze the quantitative changes of proteins, lipids, and carbohydrates. The band area ratio of CH3/asCH2+ sCH2 shows the absence of a long chain of fatty acids due to fenvalerate treatment. The band area ratio of asCH2/sCH2 increases for higher sublethal concentrations, which shows the lower disorder of lipid acyl chain flexibility. A decrease in lipids was found in lower sublethal concentrations. The secondary structure of proteins affirms ß sheet development. Carbohydrate metabolism of gill tissues demonstrates a decrease in glycogen contents. A further decrease in glycogen content and an increase in lactic acid were observed when presented to a fenvalerate concentration. PCA plots indicate distinct variations among the biochemical parameters of the gill tissues. This study provides a quantitative examination of assessing pesticide toxicity in aquatic environments.

Performance of an indigenous integrated slurry photocatalytic membrane reactor (PMR) on the removal of aqueous phenanthrene (PHE).

In this study, a slurry photocatalytic membrane reactor (PMR) was developed and evaluated for the degradation of aqueous phenanthrene (PHE). During continuous process with a hydraulic retention time (HRT) of 140 min, the maximum PHE degradation and total organic carbon (TOC) removal efficiencies were found to be 97% and 79%, respectively. The reuse and recovery potential of TiO2 was studied with continuous recycling. The major intermediates during photodegradation of PHE were found to be phenanthrenequinone, phenanthenol and fluorine. This study also includes an investigation of membrane fouling caused by hydrophilic nano TiO2. The cake layer observed on the membrane surface was characterized by scanning electron microscopy (SEM), atomic force microscopy (AFM) and energy dispersive spectroscopy (EDS). In addition, the effect of operating parameters such as pH and permeate flux on membrane fouling were also investigated. Low permeate flux and alkaline conditions reduced membrane fouling.

Comprehensive strategy for the design of precision drugs and identification of genetic signature behind proneness of the disease-a pharmacogenomic approach.

The proneness of diseases and susceptibility towards drugs vary from person to person. At present, there is a strong demand for the personalization of drugs. The genetic signature behind proneness of the disease has been studied through a comprehensive 'octopodial approach'. All the genetic variants included in the approach have been introduced. The breast cancer associated with BRCA1 mutation has been taken as the illustrative example to introduce all these factors. The genetic variants associated with the drug action of tamoxifen have been fully illustrated in the manuscript. The design of a new personalized anti-breast cancer drug has been explained in the third phase. For the design of new personalized drugs, a metabolite of anti-cancer drug chlorambucil has been taken as the template. The design of drug has been made with respect to the protein 1T15 of BRCA1 gene corresponding to the genetic signature of rs28897696.

In situ generation of a hydroxyl radical by nanoporous activated carbon derived from rice husk for environmental applications: kinetic and thermodynamic constants.

The objective of this investigation is to evaluate the hydroxyl radical (˙OH) generation using nanoporous activated carbon (NPAC), derived from rice husk, and dissolved oxygen in water. The in situ production of the ˙OH radical was confirmed through the DMPO spin trapping method in EPR spectroscopy and quantitative determination by a deoxyribose assay procedure. NPAC served as a heterogeneous catalyst to degrade 2-deoxy-d-ribose (a reference compound) using hydroxyl radical generated from dissolved oxygen in water at temperatures in the range 313-373 K and pH 6, with first order rate constants (k = 9.2 × 10(-2) min(-1), k = 1.2 × 10(-1) min(-1), k = 1.3 × 10(-1) min(-1) and k = 1.68 × 10(-1) min(-1)). The thermodynamic constants for the generation of hydroxyl radicals by NPAC and dissolved oxygen in water were ΔG -1.36 kJ mol(-1) at 313 K, ΔH 17.73 kJ mol(-1) and ΔS 61.01 J mol(-1) K(-1).

Methyl 3'-benzyl-4'-(2,4-di-chloro-phen-yl)-1'-methyl-2-oxo-1-propyl-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxy-l-ate.

In the title compound, C30H30Cl2N2O3, the indole ring system is roughly planar, with a maximum deviation of 0.1039 (18) Šfor the carbonyl C atom, and makes a dihedral angle of 86.61 (9)° with the mean plane of the pyrrolidine ring. This spiro pyrrolidine ring adopts an envelope conformation with the N atom at the flap position. The pyrrole ring of the indole ring system adopts a twisted conformation on the C-C(=O) bond. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif, and a π-π inter-action [centroid-centroid distance = 3.6577 (12) Å] involving the 2,4-di-chloro-phenyl ring and the benzyl ring. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming C(9) chains running parallel to [10-1].

Methyl 4'-(3-bromo-phen-yl)-3'-(2,5-di-methyl-benz-yl)-1'-methyl-2-oxo-spiro-[indo-line-3,2'-pyrrolidine]-3'-carboxyl-ate.

In the title compound, C29H29BrN2O3, the indole ring system is essentially planar (r.m.s. deviation = 0.079 Å) and makes a dihedral angle of 85.23 (10)° with the mean plane of the 4-methyl-pyrrolidine ring. This ring adopts an envelope conformation with the N atom at the flap. The pyrrolidine ring of the indole ring system adopts a twisted conformation on the C-C(=O) bond. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. These dimers are further linked by N-H⋯O and C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (10-1).

Methyl (E)-3-(2-formyl-phen-oxy)acrylate.

In the title compound, C11H10O4, the methyl acrylate sub-stituent adopts an extended E conformation with all torsion angles close to 180°. The conformation of the keto group with respect to the olefinic double bond is typically S-trans. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) graph-set motif. The dimers are further linked via C-H⋯O hydrogen bonds, forming chains along [001], which enclose R 3 (2)(16) graph-set ring motifs. The keto group O atomaccepts two C-H⋯O interactions.