Recent advances in metal-catalysed oxidation reactions.

Oxidation reactions are vital tools in synthetic organic chemistry. Oxidation of organic species such as alcohols, phenols, aldehydes and ketones provides synthetically valuable organic compounds, especially synthetic intermediates for several biologically active compounds. Some of these synthetic intermediates have shown their synthetic utility in the total synthesis of natural products.

Versatile platform of 3D/2D/1D:ZnFeO/NiAl-LDH/MWCNTs nanocomposite for photocatalytic purification of dinoseb and electrocatalytic O evolution reaction.

Integrating photocatalysis with electrocatalysis may represent a synergistic approach to address environmental and energy challenges. In this context, we explored synthesizing a series of nanocomposite materials using a solid-state approach involving simple grinding and subsequent thermal treatment for the photocatalytic purification of dinoseb and electrocatalytic oxygen evolution (OER). Interestingly, among the series of synthesized materials, 40 wt percentage of 3D/2D/1D:ZnFeO/NiAl-LDH/MWCNTs ternary nanocomposite (40-NZM) showed highly improved dinoseb detoxification and OER efficiencies compared to those of pure materials.

Harnessing bacterial metabolites for enhanced cancer chemotherapy: unveiling unique therapeutic potentials.

Cancer poses a serious threat to health globally, with millions diagnosed every year. According to Global Cancer Statistics 2024, about 20 million new cases were reported in 2022, and 9.7 million people worldwide died of this condition.

Point-of-Care Devices for Viral Detection: COVID-19 Pandemic and Beyond.

The pandemic of COVID-19 and its widespread transmission have made us realize the importance of early, quick diagnostic tests for facilitating effective cure and management. The primary obstacles encountered were accurately distinguishing COVID-19 from other illnesses including the flu, common cold, etc. While the polymerase chain reaction technique is a robust technique for the determination of SARS-CoV-2 in patients of COVID-19, there arises a high demand for affordable, quick, user-friendly, and precise point-of-care (POC) diagnostic in therapeutic settings.

A tetracobalt(II) cluster with a two vertex truncated dicubane topology endogenously supported by carboxylate-based (2-pyridyl)methylamine ligands: magneto-structural and DFT studies.

A reaction between CoCl and L-(CO) (2 : 1 stoichiometry) in CHOH affords a discrete complex [CoII4-{L-(CO)}(μ-OCH)(CHOH)(HO)Cl] (1) [L-(CO) = 3-[-{2-(pyridin-2-yl)methyl}amino]-bis(propionate)]. The structure of 1 reveals two terminal mononuclear Co{L-(CO)}Cl units connected by a dimeric CoII2(μ-OCH)(CHOH)(HO) unit present in the centre through two methoxo (μ-OCH)- and two carboxylate (μ-1,1-OCO-) bridges affording a tetranuclear coordination cluster of Co(II) with a defective dicubane topology. In 1, Co1 (terminal) has distorted octahedral CoNOCl and the central Co2 has CoO coordination.

Investigation of memory influences on bio-heat responses of skin tissue due to various thermal conditions.

Advancement of new technologies such as laser, focused ultrasound, microwave and radio frequency for thermal therapy of skin tissue has increased numerous challenging situations in medical treatment. In this article, a new meticulous bio-heat transfer model based on memory-dependent derivative with dual-phase-lag has been developed under different thermal conditions such as thermal shock and harmonic-type heating. Laplace transform method is acquired to perceive the analytical consequences.

Base pairs with 5-chloroorotic acid and comparison with the natural nucleobase. Structural and spectroscopic study, and three suggested antiviral modified nucleosides.

A structural and spectroscopic study of 5-chloroorotic acid (5-ClOA) biomolecule was carried out by IR and FT-Raman and the results obtained were compared to those achieved in 5-fluoroorotic acid and 5-aminoorotic acid compounds. The structures of all possible tautomeric forms were determined using DFT and MP2 methods. To know the tautomer form present in the solid state, the crystal unit cell was optimized through dimer and tetramer forms in several tautomeric forms.

Atomistic Simulations of Hydrated Sulfonated Polybenzophenone Block Copolymer Membranes.

We present a classical molecular dynamics simulations study on the nanostructures of the sulfonated polybenzophenone (SPK) block copolymer membranes at 300 K and 353 K. The results of the radial distribution function (RDF) show that the interactions of the sulfonate groups of the membrane with the hydronium ions are more significant than those of water due to the strong electrostatic attraction over the hydrogen bonding. However, the effect of temperatures on the RDF profile seems insignificant.

Application of soil amendments mitigates phytotoxic effects on Solanum melongena L. and Lycopersicon esculentum L. seedlings exposed to chlorpyrifos and dimethoate pesticides.

This field study was done to study the effects of pesticides chlorpyrifos and dimethoate singly and in combination with soil amendments like chemical fertilizer (CF), farmyard manure (FM), and 50% CF + 50% FM (CM) on various indices of growth, physio-biochemical parameters of brinjal, and their residual effect in tomato seedlings. As compared to the control, the decrease of 9.5 and 5.

Liquid-assisted mechanochemical synthesis, crystallographic, theoretical and molecular docking study on HIV instasome of novel copper complexes: (µ-acetato)-bis(2,2'-bipyridine)-copper and bromidotetrakis(2-methyl-1H-imidazole)-copper bromide.

In the present work the two new Cu(II) complexes, (µ-acetato)-bis(2,2'-bipyridine)-copper [Cu(bpy)(CHCO)] and bromidotetrakis(2-methyl-1H-imidazole)-copper bromide [Cu(2-methylimid)Br]Br have been synthesized by liquid assisted mechanochemical method. The [Cu(bpy)(CHCO)] complex (1) and [Cu(2-methylimid)Br]Br complex (2) characterised by IR and UV-visible spectroscopy and the structure are confirmed by XRD diffraction studies. Complex (1) crystallized in the Monoclinic with the space group of C2/c where a = 24.

phytochemicals possess SARS-CoV-2 RdRp and human TMPRSS2 protein binding potential.

Abstract: Coronavirus disease-19 (COVID-19) pandemic caused by severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) has infected approximately 26 million people and caused more than 6 million deaths globally. Spike (S)-protein on the outer surface of the virus uses human trans-membrane serine protease-2 (TMPRSS2) to gain entry into the cell. Recent reports indicate that human dipeptidyl peptidase-4 inhibitors (DPP4 or CD26) could also be utilized to check the S-protein mediated viral entry into COVID-19 patients.

Current advances and research prospects for agricultural and industrial uses of microbial strains available in world collections.

Microorganisms are an important component of the ecosystem and have an enormous impact on human lives. Moreover, microorganisms are considered to have desirable effects on other co-existing species in a variety of habitats, such as agriculture and industries. In this way, they also have enormous environmental applications.

Role of Workplace Spirituality, Empathic Concern and Organizational Politics in Employee Wellbeing: A Study on Police Personnel.

Employee wellbeing as a central aspect of organizational growth has been widely regarded and accepted. Therefore, a considerable growth in the number of researches focusing on employee wellbeing has been comprehended in recent years. Employee wellbeing characterizes the individual's own cognitive interpretation of his/her life at work.

Hydration, Prediction of the p , and Infrared Spectroscopic Study of Sulfonated Polybenzophenone (SPK) Block-Copolymer Hydrocarbon Membranes and Comparisons with Nafion.

We used long-range-corrected density functional theory to investigate the hydration, p values, and harmonic vibrational spectroscopy of sulfonated polybenzophenone (SPK) block-copolymer hydrocarbon membranes to ascertain the reasons why this gives comparable or higher proton conductivities against Nafion over a wide range of humidity. It was found that a minimum of three water molecules are required for proton dissociation in both membranes. From natural population analysis, it was noticed that the proton dissociation of SPK membranes is nearly comparable to Nafion at relatively low water content.

Identification of miRNAs and related hub genes associated with the triple negative breast cancer using integrated bioinformatics analysis and approach.

Triple negative breast cancer (TNBC) is an aggressive breast cancer subtype generally associated with younger women. Due to the lack of suitable drugable targets in TNBC, the microRNAs are considered as a better hope as therapeutic agents for the management of the disease. In this study, we identified differentially expressed miRNAs (DEMs) and associated hub genes in TNBC microarray data (GSE38167, GSE60714, and GSE10833) using bioinformatics tools.

Aggregation vs Surface Segregation: Antagonism over the Magnetic Behavior of NiCr Nanoparticles.

Annealing is a valuable method for fine-tuning the ultrasmall magnetic properties of alloy nanoparticles (NPs) by controlling their sizes, modifying their surfaces, and affecting their magnetic interactions. Herein, we study the effect of moderate annealing (450 °C) on strongly interacting NiCr nanoparticle assemblies (0 ≤ atom % Cr ≤ 15) immediately after deposition. Concurrent temperature-dependent electron microscopy and magnetization data demonstrate the interplay of two competing factors, namely, enhanced particle aggregation and element-specific surface segregation, on the magnetic properties, with the former boosting and the latter suppressing them.

Insights into geometries, stabilities, electronic structures, reactivity descriptors, and magnetic properties of bimetallic Ni Cu (m = 1, 2; n = 3-13) clusters: Comparison with pure copper clusters.

A long-range corrected density functional theory (LC-DFT) was applied to study the geometric structures, relative stabilities, electronic structures, reactivity descriptors and magnetic properties of the bimetallic NiCu and Ni Cu (n = 3-13) clusters, obtained by doping one or two Ni atoms to the lowest energy structures of Cu , followed by geometry optimizations. The optimized geometries revealed that the lowest energy structures of the NiCu and Ni Cu clusters favor the Ni atom(s) situated at the most highly coordinated position of the host copper clusters. The averaged binding energy, the fragmentation energies and the second-order energy differences signified that the Ni doped clusters can continue to gain an energy during the growth process.