Molecular docking, ADME properties and synthesis of thiophene sulfonamide derivatives.

This study investigates the drug-like properties of target molecules containing thiophene sulfonamide groups using computational molecular docking techniques. The binding interactions of these derivatives were assessed using protein 2NSD (Enoyl acyl carrier protein reductase InhA, complexed with N-(4-methylbenzoyl)-4-benzylpiperidine, PDB DOI: 10.2210/pdb2NSD/pdb) as the receptor.

Synthesis and characterization of aniline-based azo molecules: In vitro pharmacological and emission studies.

The present work involves the synthesis of novel dispersed mono-azo dyes using different coupling components and 2-methoxy-5-nitro aniline as amine through a simple and convenient diazo-coupling method. The structures of the newly synthesized mono azo dyes were confirmed by using various spectral techniques such as H NMR, Fourier transform infrared, and high-resolution mass spectrometry. At room temperature, the electronic absorption spectra and fluorescence spectra of the synthesized mono azo dyes were recorded with different solvents.

Azoospermia and multi-organ damage in juvenile rats exposed to α-Terpineol from weaning to sexual maturity.

This study aimed to evaluate the repeated oral administration of α-terpineol in juvenile Wistar rats over a 70-day period. The objective was to assess the potential systemic and reproductive toxicity of α-terpineol when administered by gavage at doses of 75, 150, and 300 mg/kg/day to juvenile Wistar rats for 70 days from postnatal day 24. The control group received corn oil for 70 days.

Utilizing sulfa drugs' pH-dependent spectral modifications for designing molecular logic gates.

In this study, the absorption and fluorescence characteristics of sulfa drugs, specifically Sulfadiazine (SDZ), Sulfamerazine (SMZ), and Sulfamethazine (STZ), were examined across a pH range of 1-14. The absorption and fluorescence spectra of these sulfa drugs showed significant changes depending on the pH value. Analysis of their pH-dependent absorption and fluorescence properties indicated that these sulfa drugs could used to design molecular logic gates.

Elevating Oxygen Evolution using Iron Phthalocyanine Infused Vanillic acid Electrocatalyst.

Oxygen evolution reaction (OER) is the bottle neck step in water splitting reaction towards the realization of hydrogen based clean energy production and storage. Metal air batteries and polymer electrolyte membrane fuel cells (PEMFC) are the alternative green energy systems that utilise O and H in the production of continuous and high energy output without the utilization of carbon based fuels which are the major sources of pollution. Transition metal based N organics are explored extensively as oxygen electrocatalysts i.

Macromolecule-Nanoparticle-Based Hybrid Materials for Biosensor Applications.

Biosensors function as sophisticated devices, converting biochemical reactions into electrical signals. Contemporary emphasis on developing biosensor devices with refined sensitivity and selectivity is critical due to their extensive functional capabilities. However, a significant challenge lies in the binding affinity of biosensors to biomolecules, requiring adept conversion and amplification of interactions into various signal modalities like electrical, optical, gravimetric, and electrochemical outputs.

Dataset of chilli and onion plant leaf images for classification and detection.

This article presents the chili and onion leaf (COLD) dataset, which focuses on the leaves of chili and onion plants, scientifically known as Allium cepa and capsicum. The presence of various diseases such as Purple blotch, Stemphylium leaf blight, Colletotrichum leaf blight, and Iris yellow spot virus in onions, as well as Cercospora leaf spot, powdery mildew, Murda complex syndrome, and nutrition deficiency in chili, have had a significant negative effect on onion and chili production. As a consequence, farmers have incurred financial losses.

Investigation of bisindole-linked pyrimidine moieties: synthesis using strantium-aluminum supported strontium aluminate nanophosphors catalyst, DNA reactivity, and molecular docking studies.

In this communication, an innovative and straightforward protocol for the one-pot catalytic synthesis of bis(indolyl)pyrimidine derivatives and their DNA binding abilities is presented. The synthesis involves the condensation of indole with diverse substituted pyrimidine-5-carbaldehydes, employing cost-effective and reusable Sr-Al supported nanophosphors, specifically strontium aluminate (SrAlO), as a catalyst. In particular, this method does not require the use of toxic solvents.

Multiclass classification of diseased grape leaf identification using deep convolutional neural network(DCNN) classifier.

The cultivation of grapes encounters various challenges, such as the presence of pests and diseases, which have the potential to considerably diminish agricultural productivity. Plant diseases pose a significant impediment, resulting in diminished agricultural productivity and economic setbacks, thereby affecting the quality of crop yields. Hence, the precise and timely identification of plant diseases holds significant importance.

Enhanced O/N separation by QuaternizedMatrimid/Multiwalled carbon nanotube mixed-matrix membrane.

The air separation (O/N) based on polymeric membranes is critical because it is more energy efficient than traditional methods. Dense polymeric membranes are now the main stay of industrial processes that generate oxygen and nitrogen enriched gas. Though, regular polymeric membranes often fall short of selective pressure demands because O and N gases have such comparable equivalent diameters.

Novel decorated aluminium(iii) phthalocyanine complex with the application of MWCNTs on electrodes: electrochemical non-enzymatic oxidation and reduction of glucose and hydrogen peroxide.

In this study, we performed the physicochemical and electrochemical characterization of a decorated macrocyclic aluminium(iii) phthalocyanine complex (AlTMQNCAPc). Subsequently, the AlTMQNCAPc@MWCNT/GC electrode was used for the electrochemical detection of glucose and hydrogen peroxide (HO) by cyclic voltammetry (CV), differential pulse voltammetry (DPV), and chronoamperometry (CA). Moreover, the limit of detection, linear range, and sensitivity for glucose and HO were investigated (CV: 2.

Promising bioactive metabolites of mangrove inhabitant and prostate cancer PC3 cell inhibition by antimicrobial peptides.

is a group of microbes known for antibiotic production and has contributed to more than 70% of present commercially available antibiotics. These antibiotics are important in the management, protection, and treatment of chronic illnesses. In the present study, the isolated strain from mangrove soil in Mangalore, India (GenBank accession number: MW785875) was subjected for differential cultural characterization, phenotype involving brown pigmentation, filamentous mycelia, and ash-colored spore production was observed using field emission scanning electron microscopy (FESEM) analysis revealing filamentous mycelia possessing a straight spore chain.

Dataset of groundnut plant leaf images for classification and detection.

The use of machine learning is rapidly expanding across many industries, including agriculture and the IT sector. However, data is essential for machine learning models, and a substantial amount of data is required prior to training a model. We have collected data of groundnut plant leaves in the form of digital photographs taken in the Koppal (Karnataka, India) area with the assistance of a pathologist in natural settings.

Antiproliferative activity of antimicrobial peptides and bioactive compounds from the mangrove .

The group of microbes is known for antibiotic and enzyme production. Antibiotics and enzymes produced by them are important in the control, protection, and treatment of chronic human diseases. In this study, the () strain MW647910.

Electrochemical, Ultrasensitive, and Selective Detection of Nitrite and HO: Novel Macrostructured Phthalocyanine with Composite MWCNTs on a Modified GCE.

In the current study, the synthesis of tetra-4-(2-methoxyphenoxy) carboxamide cobalt(II) amide-bridged phthalocyanine (CoTMePhCAPc) is described, as well as its characterization by Fourier transform infrared (FT-IR), UV-visible, and mass spectroscopy; powder X-ray diffraction (PXRD); thermogravimetric analysis (TGA); scanning electron microscopy (SEM); and electrochemistry. Sensing of nitrite (NO) and hydrogen peroxide (HO) simultaneously was done on CoTMePhCAPc with the composite multiwalled carbon nanotube (MWCNT)-modified glassy carbon electrode (CoTMePhCAPc/MWCNT/GCE) in the range of linear absorption (NO and HO: CV 50-750, differential pulse voltammetry (DPV) 50-750, CA 50-500 nmol L), lower detection limit (NO and HO: CV 10.5 and 12.

Experimental and Theoretical Spectroscopic Investigation on Coumarin Based Derivatives for Non-Linear Optoelectronics Application.

The spectral properties of MBTC (4-((4-((Benzo[d]oxazol-2-ylthio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-7-methoxy-2H-chromen-2-one), CBTC (4-((4(((5Chlorobenzo[d]oxazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2H-benzo[h]chromen-2-one) and TBTC (4-((4-((Benzo[d]oxazol-2-ylthio)methyl)-1H-1,2,3-triazol-1-yl)methyl)6(tertbutyl)2Hchromen-2-one) were studied in series of solvents with different polarity at room temperature to explore their solvatochromic effect and dipole moment. Stokes shift revealed a bathochromic shift with varying solvent polarity for all molecules which implies π-πtransition. The ground state and excited state dipole moment of the molecules are calculated experimentally using salvatochromic methods like Lippert-Mataga, Bakhshiev, Kawaski-chamma-viallet, and Reichardt's microscopic solvent polarity functions and computationally by density functional theory (DFT) method.

Seventy-Day Toxicity Study in Juvenile Sprague-Dawley Rats with Semicarbazide (SEM) from Weaning to Sexual Maturity.

The study was conducted to evaluate the toxicological effects, functional observation battery tests, and sexual maturity of semicarbazide oral gavage administration to juvenile Sprague-Dawley rats for 70 days at 0, 15, 30, and 60 mg/kg/day weaning to sexual maturity. At 60 mg/kg/day, there was a delay in mean age at acquisition of balano-preputial and vaginal patency and a decrease in body weight and food consumption in males. Treatment increased reticulocyte count, aspartate aminotransferase, and alanine aminotransferase levels in both sexes and decreased hematocrit and protein in males.

Darcy-Forchheimer Flow of Water Conveying Multi-Walled Carbon Nanoparticles through a Vertical Cleveland Z-Staggered Cavity Subject to Entropy Generation.

To date, when considering the dynamics of water conveying multi-walled carbon nanoparticles (MWCNT) through a vertical Cleveland Z-staggered cavity where entropy generation plays a significant role, nothing is known about the increasing Reynold number, Hartmann number, and Darcy number when constant conduction occurs at both sides, but at different temperatures. The system-governing equations were solved using suitable models and the Galerkin Finite Element Method (GFEM). Based on the outcome of the simulation, it is worth noting that increasing the Reynold number causes the inertial force to be enhanced.

Tetraphenolphthalein Cobalt(II) Phthalocyanine Polymer Modified with Multiwalled Carbon Nanotubes as an Efficient Catalyst for the Oxygen Reduction Reaction.

Oxygen reduction reaction (ORR) is the main reaction at the cathode of a fuel cell that utilizes Pt/C as the benchmark catalyst. Due to sluggish activity, high cost, rare abundance, and durability issues, Pt/C must be replaced by nonprecious, stable, and easily synthesizable materials. This work involves the synthesis of novel, simple, low-cost, and environmentally friendly phenolphthalein-bearing cobalt(II) phthalocyanine polymer, ( ) dyad, as an efficient catalyst for ORR.

Reporting dinaciclib and theodrenaline as a multitargeted inhibitor against SARS-CoV-2: an study.

Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is one of the rapid spreading coronaviruses that belongs to the Coronaviridae family. The rapidly evolving nature of SARS-CoV-2 results in a variety of variants with a capability of evasion to existing therapeutics and vaccines. So, there is an imperative need to discover potent drugs that can able to disrupt the function of multiple drug targets to tackle the SARS-CoV-2 menace.

Multifaceted roles of plant derived small molecule inhibitors on replication cycle of SARS-CoV-2.

Introduction: Coronavirus disease 2019 (COVID-19) is an illness caused by the new coronavirus severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2). It has affected public health and the economy globally. Currently approved vaccines and other drug candidates could be associated with several drawbacks which urges developing alternative therapeutic approaches.

Predictive modeling and therapeutic repurposing of natural compounds against the receptor-binding domain of SARS-CoV-2.

Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a member of the Coronaviridae family, causing major destructions to human life directly and indirectly to the economic crisis around the world. Although there is significant reporting on the whole genome sequences and updated data for the different receptors are widely analyzed and screened to find a proper medication. Only a few bioassay experiments were completed against SARS-CoV-2 spike protein.

Symmetrically Substituted Zn and Al Phthalocyanines and Polymers for Photodynamic Therapy Application.

N4 macrocyclic complexes of Al and Zn phthalocyanines with symmetrical imine and imidazole moiety at the periphery were synthesized. The synthesized ligands, complexes, and polymers were purified and characterized to study the structure of the molecule. These synthesized complexes were used for photodynamic therapy application as the diamagnetic Zn and Al have the ability to produce and stabilize singlet oxygen species.

Pharmacokinetics of Bio-shell-silver-core Nanoparticles (AgNP) in Sprague-Dawley Rats - In Vivo Study.

Background: Silver nanoparticles have been widely used in the field of nanomedicine. A comprehensive understanding of their pharmacokinetics is crucial for proper risk assessment and safe biomedical applications.

Objectives: The purpose of this study was to investigate the safety of silver nanoparticles by determining their potential toxicity following 28 days of administration in Sprague-Dawley rats.