Deep insights into the optoelectronic properties of AgCdF-based perovskite solar cell using the combination of DFT and SCAPS-1D simulation.

The main focus of this research is to explore the properties and photovoltaic application of AgCdF, and hence, initially, the CASTEP software was used in this study to assess the structural, optical, mechanical, and electrical characteristics of the AgCdF perovskite absorber layer within the context of the density functional theory (DFT) method. AgCdF resulting from the structural research is confirmed to be chemically and thermodynamically stable by the estimated tolerance factor and formation enthalpy. According to the band structure analysis, AgCdF is an indirect band gap semiconductor with a band gap of 1.

Drought vulnerability assessment and its impact on crop production and livelihood of people: An empirical analysis of Barind Tract.

North-Western section of Bangladesh is experiencing a protracted decrease in precipitation, irregular rainfall, and the depletion of ground water, which results in water scarcity and extreme dry weather that impedes the production of agricultural commodities and threatens the people's way of life. Analyzing the precipitation deficit and ground water deficit, along with vegetation cover, temperature condition, and the condition of the vegetation is a crucial component of drought vulnerability assessment. Rajshahi Zilla, a region of Bangladesh located in the middle of the Barind tract, is experiencing a severe water shortage.

Anxiolytic Effect of Sesamol, Possibly Through the GABAkine Interaction Pathway.

Plant-based components have helped generate novel lead molecules and scaffolds for anxiety research in psychopharmacology. The present study examined the anxiolytic properties of sesamol (SES), a phenolic lignan derived from Sesamum indicum, employing both in vivo and computational methods to understand its mechanisms of action. In this experiment, adult Swiss albino mice received various doses of SES (25 and 50 mg/kg, p.

Integer programming framework for pangenome-based genome inference.

Affordable genotyping methods are essential in genomics. Commonly used genotyping methods primarily support single nucleotide variants and short indels but neglect structural variants. Additionally, accuracy of read alignments to a reference genome is unreliable in highly polymorphic and repetitive regions, further impacting genotyping performance.

The Role of Protonation in the PfMATE Transporter Protein Structural Transitions.

Multi-antimicrobial extrusion (MATE) transporter membrane proteins provide drug and toxin resistivity by expelling compounds from cells. MATE proteins can be pictured as V-shaped. To regulate its functioning, the protein structure can switch between outward-facing (OF) and inward-facing (IF).

Discovery of key molecular signatures for diagnosis and therapies of glioblastoma by combining supervised and unsupervised learning approaches.

Glioblastoma (GBM) is the most malignant brain cancer and one of the leading causes of cancer-related death globally. So, identifying potential molecular signatures and associated drug molecules are crucial for diagnosis and therapies of GBM. This study suggested GBM-causing ten key genes (ASPM, CCNB2, CDK1, AURKA, TOP2A, CHEK1, CDCA8, SMC4, MCM10, and RAD51AP1) from nine transcriptomics datasets by combining supervised and unsupervised learning results.

Next generation power inverter for grid resilience: Technology review.

Distributed generation (DG) systems are becoming more popular due to several benefits such as clean energy, decentralization, and cost effectiveness. Because the majority of renewable energy sources provide DC power, power electronic inverters are necessary for their conversion from DC to AC power. To fulfill this demand, the next generation power inverter employs innovative technologies while simultaneously assuring stability and resilience.

An in-depth investigation of lead-free KGeCl perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks.

Potassium germanium chloride (KGeCl) has emerged as a promising contender for use as an absorber material for lead-free perovskite solar cells (PSCs), offering significant potential in this domain. In this study, we conducted a density functional theory (DFT) investigation to analyze and assess the structural, electronic, thermomechanical, and optical characteristics of the cubic KGeCl absorber. The positive phonon dispersion curve confirmed the dynamical stability of KGeCl.

Antioxidant activity of Schiff base ligands using the DPPH scavenging assay: an updated review.

Schiff base ligands, formed from primary amines and carbonyl compounds, are potential antioxidants because they scavenge 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals hydrogen atom transfer (HAT) and single electron transfer (SET) routes. This review aims to help design, synthesize, and discuss the antioxidant activity of Schiff base ligands based on their structure. This study critically discussed the solvent effect and the structural changes of Schiff base ligands responsible for DPPH scavenging activity, such as proton donating, electron-donating, and electron-withdrawing substituents, conjugation and ring structure.

Landscape transition-induced ecological risk modeling using GIS and remote sensing techniques: a case of Saint Martin Island, Bangladesh.

Uncontrolled human activity and nature are causing the deterioration of Saint Martin Island, Bangladesh's only tropical island, necessitating sustainable land use strategies and ecological practices. Therefore, the present study measures the land use/cover transition from 1974 to 2021, predicts 2032 and 2042, and constructs the spatiotemporal features of the Landscape Ecological Risk Index based on land use changes. The study utilized Maximum Likelihood Classification (MLC) on Landsat images from 1974, 1988, 2001, 2013, and Sentinel 2B in 2021, achieving ≥ 80% accuracy.

Unraveling the potential effects of non-synonymous single nucleotide polymorphisms (nsSNPs) on the Protein structure and function of the human gene on type 2 diabetes and colorectal cancer: An approach.

Background And Aims: The single nucleotide polymorphisms (SNPs) in gene have been recognized as contributing to type 2 diabetes (T2D) susceptibility and colorectal cancer. This study aims to predict the structural stability, and functional impacts on variations in non-synonymous SNPs (nsSNPs) in the human gene using various computational techniques.

Materials And Methods: Several tools, including SIFT, Predict-SNP, SNPs&GO, MAPP, SNAP2, PhD-SNP, PANTHER, PolyPhen-1,PolyPhen-2, I-Mutant 2.

Chitosan/gelatin coating loaded with ginger essential oil/β-cyclodextrin inclusion complex on quality and shelf life of blueberries.

Blueberries are highly susceptible to fungal pathogens and oxidative deterioration due to their thin epidermal layer, which can be mitigated by applying a natural polymer-based antimicrobial coating to their surface. This study aimed to develop a chitosan/gelatin-based antimicrobial coating utilizing ginger essential oil (GEO) to extend the postharvest quality of blueberries. To ensure GEO's stability within the coating, it was initially encapsulated with β-cyclodextrin (β-CD) using the inclusion complexation technique.

Synthesis, Activation, and Characterization of Carbon Fiber Precursor Derived from Jute Fiber.

Activated carbon (AC) fiber is a carbonaceous material with a porous structure that has a tremendous scope of application in different fields. Conventionally, AC is derived from fossil fuel-based raw materials like polyacrylonitrile (PAN) and pitch. In this work, AC was synthesized from eco-friendly, renewable, and ubiquitous jute fiber.

Exploration of trace elements in groundwater and associated human health risk in Chattogram City of Bangladesh.

The study aimed to evaluate trace metals in the groundwater of Chattogram City located on the southeastern coast of Bangladesh and assess their potential health risks. Given the city's unique characteristics as both a coastal and industrial hub in Bangladesh, a knowledge gap persists particularly in the assessment of trace metals. A random sampling technique was applied to collect one hundred and seventeen groundwater samples from different wards of the city to analyze some trace metals (Cr, Cd, Fe, Cu, Mn, Pb, and Zn) and the quality of the collected water samples was evaluated using different indices, such as Heavy Metal Evaluation Index (HEI), Groundwater Quality Index (GWQI), Heavy Metal Pollution Index (HPI), and Degree of Contamination (C).

Water-soluble Schiff base ligands and metal complexes: an overview considering green solvent.

The water-soluble metal complexes with Schiff base (SB) ligands are of great interest to green chemistry researchers due to their stability, cost-effectiveness, eco-friendly, electron-donating ability, and various applications. They have high potential to express their biological activity including anti-inflammatory, anticancer, antibacterial, antifungal, antioxidant, and DNA binding and cleavage. In the recent era, transition metal complexes have played a significant role in different processes such as hydrogenation, carbonylation, oxidation, reduction, epoxidation, hydrolysis, decomposition, and polymerization reactions in industry.

In-silico discovery of common molecular signatures for which SARS-CoV-2 infections and lung diseases stimulate each other, and drug repurposing.

COVID-19 caused by SARS-CoV-2 is a global health issue. It is yet a severe risk factor to the patients, who are also suffering from one or more chronic diseases including different lung diseases. In this study, we explored common molecular signatures for which SARS-CoV-2 infections and different lung diseases stimulate each other, and associated candidate drug molecules.

Identification of most representative hub-genes for diagnosis, prognosis, and therapies of hepatocellular carcinoma.

Background: Hepatocellular carcinoma (HCC) is the third leading cause of cancer-related deaths globally. To reduce HCC-related mortality, early diagnosis and therapeutic improvement are essential. Hub differentially expressed genes (HubGs) may serve as potential diagnostic and prognostic biomarkers, also offering therapeutic targets for precise therapies.

A systematic first-principles investigation of the structural, electronic, mechanical, optical, and thermodynamic properties of Half-Heusler ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) for spintronics and optoelectronics applications.

This paper is the first to look at the structural, electronic, mechanical, optical, and thermodynamic properties of the ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) half-Heusler (HH) using DFT based first principles method. The lattice parameters that we have calculated are very similar to those obtained in prior investigations with theoretical and experimental data. The positive phonon dispersion curve confirm the dynamical stability of ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn).

Comparative Seed Proteome Profile Reveals No Alternation of Major Allergens in High-Yielding Mung Bean Cultivars.

Mung bean contains up to 32.6% protein and is one of the great sources of plant-based protein. Because many allergens also function as defense-related proteins, it is important to determine their abundance levels in the high-yielding, disease-resistant cultivars.

A computational approach to identify phytochemicals as potential inhibitor of acetylcholinesterase: Molecular docking, ADME profiling and molecular dynamics simulations.

Inhibition of acetylcholinesterase (AChE) is a crucial target in the treatment of Alzheimer's disease (AD). Common anti-acetylcholinesterase drugs such as Galantamine, Rivastigmine, Donepezil, and Tacrine have significant inhibition potential. Due to side effects and safety concerns, we aimed to investigate a wide range of phytochemicals and structural analogues of these compounds.

Insights into pelvic insufficiency fracture following pelvic radiotherapy for cervical cancer: a comparative review.

Background: Radiotherapy (RT)-induced pelvic insufficiency fractures (PIF) are prevalent in patients with cervical cancer. Inconclusive studies on PIF after cervical irradiation create uncertainty. This review examined PIF after RT in cervical patients, including its pathobiology, likely locations of fractures, incidence, clinical symptoms, and predisposing factors.