Development of a Phototriggered Diradical Phosphoamination Strategy of Alkenes.

Aminophosphonates serve as extremely important moieties with respect to their activities in biological systems. However, incorporating a Nitrogen and Phosphorus moiety by conventional techniques in ionic mode is usually associated with extensive prefunctionalization of the substrates, employing harsh conditions and reagents that limit the viability of these methods. Introducing both of these components as radicals may be a viable option.

Assessment of dynamic characteristics of bio-cemented sand considering microbially induced calcite precipitation treatment.

Enhancement of dynamic characteristics of sand through bio-cementation is one of the prospective ground improvement techniques for sustainable development considering seismic loading scenarios. Microbially induced calcite precipitation (MICP) has already been established as an efficient and low-cost and sustainable bio-cementation technique. In the present study, engineering characteristics of poorly graded standard Ennore sand of India have been improved through the bio-cementation effects of Sporosarcina pasteurii bacteria using the MICP technique.

Green synthesis of gold nano-particles using Madhuca indica flower extract and their anticancer activity on head and neck cancer: Characterization and mechanistic study.

Complete eradication of aggressive head and neck squamous cell carcinoma (HNSCC) still remains a major challenging problem due to numerous resistance properties of cancer stem cells (CSC) which is crucially responsible for tumor recurrence and metastasis. This challenge causes a high demand for the emergence of novel targeted treatment modalities for improved therapeutic efficacies. Phytochemicals derived from plants proves to be a wide reservoir of important drug candidates which have the potential to impede multiple aspects of malignant growth and progression.

Nanomaterials impact in phytohormone signaling networks of plants - A critical review.

Nanotechnology offers a transformative approach to augment plant growth and crop productivity under abiotic and biotic stress conditions. Nanomaterials interact with key phytohormones, triggering the synthesis of stress-associated metabolites, activating antioxidant defense mechanisms, and modulating gene expression networks that regulate diverse physiological, biochemical, and molecular processes within plant systems. This review critically examines the impact of nanoparticles on both conventional and genetically modified crops, focusing on their role in nutrient delivery systems and the modulation of plant cellular machinery.

Collective dynamics on constrained three-lane exclusion process.

The motivation behind the proposed study stems from multilane traffic systems with finite availability of particles. Our investigation revolves around a totally asymmetric simple exclusion process incorporating a finite reservoir and the occurrence of lane-switching phenomena. The study delves into the system's characteristics, including phase diagrams, density profiles, phase transitions, finite-size effects, and shock positions.

Reconfiguration of Intrinsic Depletion-Mode Characteristics of MoS Field-Effect Transistors to High-Performance Enhancement-Mode Operation Using an Argon Plasma-Induced p-Type Doping Technique.

The intrinsic n-type behavior and unavailability of the appropriate p-type doping method for MoS allows only n-type conduction with depletion mode (D-mode) characteristics and forbids the implementation of p-type field-effect transistors (FETs). The D-mode characteristic results in a high off-current (I) at zero gate bias, which limits the usage of MoS FETs for industry-scale (n-channel metal-oxide semiconductor) NMOS/(complementary metal-oxide semiconductor) CMOS-logic-based applications due to significant power dissipation. Both these issues, i.

Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme.

The number of solvent molecules present in the system during molecular dynamics is the balancing act between the need to remove the boundary effects present in the system and the computational cost. Application of the telescopic-solvation box scheme during the estimation of the potential of mean force (PMF) can be advantageous in situations where the contribution of solvent far from the site of interest toward the whole PMF is negligible, as previously demonstrated in the case of adaptive steered molecular dynamics and umbrella sampling. This work explores the application of the telescopic-solvation box scheme during enhanced sampling by the stratified adaptive biasing force (ABF) family of methods, including ABF, extended ABF, well-tempered-metadynamics extended ABF, and multiwalker extended ABF.

Reusable Iron-Copper Catalyzed Cross-Coupling of Primary Amides with Aryl and Alkyl Halides: Access to N-Arylamides as Potential Antibacterial and Anticancer Agents.

We present, for the first time, an efficient ligand-free iron-copper catalyzed cross-coupling reaction involving a variety of aryl, heteroaryl halides (including chlorides, bromides, and iodides), and alkyl bromides with diverse aryl and aliphatic primary amides, conducted under solvent-minimized conditions. This economically competitive protocol successfully yielded the corresponding cross-coupling products, N-arylamides and N-alkylamides, in good to excellent yields with broad substrate scope (65 examples) and tolerance to several sensitive functionalities (including heterocycles). No conventional work-up is required for this protocol, and the developed method is applicable for gram-scale synthesis.

SARS-CoV-2 variants and bebtelovimab: immune escape mechanisms revealed by computational studies.

The receptor binding domain (RBD) of SARS-CoV-2 (coronavirus) targets and facilitates the binding with the human ACE2 receptor and is also a target for most monoclonal antibodies for the inhibition process. The emerging mutations in the RBD of SARS-CoV-2 are problematic, as their local and non-local effects can disrupt the binding mechanism of the antibody with the coronavirus's viral protein, thus compromising the antibody's inhibitory function. In this study, we have employed molecular dynamics to elucidate the binding mechanism between human-derived monoclonal antibody, bebtelovimab, and the RBD of the viral spike protein and the effects of mutations on this binding.

Erosion behavior of Al-SiC and Al-WC MMCs via powder metallurgy under solid particle impingement.

This study investigates the erosion behavior of Al-SiC and Al-WC metal-based composites in a solid particle impingement environment developed through powder metallurgy. Micro-sized powders of SiC and WC were utilized in different weight proportions (0-10 wt%) for fabricating the composite samples. The angle of impingements of 30-90° and impact velocity of 30-90 m/s were used for solid particle erosion testing.

Delving into Macrolide Binding Affinities and Associated Structural Modulations in Erythromycin Esterase C: Insights into the Venus Flytrap Mechanism.

Since their inception in antibacterial therapy, macrolide-based antibiotics have significantly shaped the evolutionary pathways of pathogenic bacteria, driving them to develop diverse antimicrobial resistance (AMR) mechanisms. Among these, macrolide esterase, commonly referred to as erythromycin esterase, emerged as a critical defense mechanism, enabling bacteria to detoxify macrolides by hydrolyzing the macrolactone ring within the bacterial cell. In this study, we delve into the intricate interactions and conformational dynamics of erythromycin esterase C (EreC), a key member of the Ere enzyme family.

Functional metal-organic frameworks derived electrode materials for electrochemical energy storage: a review.

Pristine metal-organic frameworks (MOFs) are built through self-assembly of electron rich organic linkers and electron deficient metal nodes coordinate bond. Due to the unique properties of MOFs like highly tunable frameworks, huge specific surface areas, flexible chemical composition, flexible structures and a large volume of pores, they are being used to design the electrode materials for electrochemical energy storage devices. As per the literature, MOFs (including manganese, nickel, copper, and cobalt-based zeolitic imidazolate frameworks (ZIFs), University of Oslo (UiO) MOFs, Hong Kong University of Science and Technology (HKUST) MOFs and isoreticular MOFs (IRMOFs)) have attracted much attention in the field of supercapacitors (SCs)/batteries.

Physicochemical Analysis of Cu(II)-Driven Electrochemical CO Reduction and its Competition with Proton Reduction.

The reduction of CO has become a key role in reducing greenhouse gas emissions in efforts to search for long-term responses to climate change. We report a couple of CO-reducing molecular catalysts based on earth-abundant copper complexes. These are [Cu(DPA)(PyNAP)] (1) and [Cu(DPA)(PyQl)] (2) (where, DPA=pyridine-2,6-dicarboxylate, PyNAP=2-(pyridin-2-yl)-1,8-naphthyridine, and PyQl=2-(pyridin-2-yl)quinoline).

Rationally designed porous self-assembled nanoparticles for combinational chemo-photodynamic therapy.

Despite notable advancements in cancer therapy, it remains a formidable global health challenge. The emergence of combinational treatments, particularly the integration of chemotherapy with photodynamic therapy (chemo-PDT), offers a glimmer of hope. This study introduces the development of zinc-coordinated quercetin-based self-assembled nanoparticles (ZnQ NPs) for advanced dual-mode cancer therapy.

Cytocompatible Hyperbranched Polyesters Capable of Altering the Ca Signaling in Neuronal Cells In Vitro.

Synthetic hyperbranched polyesters with potential therapeutic properties were synthesized using the bifunctional polyethylene glycol or PEG with different molecular weights, ca., 4000, 6000, and 20,000 g/mol, and the trifunctional -aconitic acid or TAA. During polycondensation, a fixed amount of PEG was allowed to react with varying amounts of TAA (1:1 and 1:3) to control the branching extents.

A chromatographic relay conjugated photoredox strategy: , -pharmacophore from alkenes formal [2+2+1] heteroannulation.

An expedient route to 2-aminodihydrothiophenes and their seleno analogues is reported. A three-component photoredox reaction between alkene, thio(seleno)cyanate, and bromomalonate is employed, generating a carbo-thio(seleno)cyanate intermediate that undergoes a domino of reactions mediated by alumina column chromatography, leading to valuable chalcogen pharmacophores. Mechanistic investigations using DFT and control experiments reveals an intramolecular H-bond responsible for driving the domino forward.

Effect of Low-Rank and High-Rank Coal Blend Characteristics on the Gasification Performance in Fixed Bed Reactor.

Coal gasification is the most demanding technology, increasing day by day for synthesis gas and chemical production in a clean environment. Coal is a primary source of energy or fuel. India has a high preservation of high-ash coal.

Bismuth niobate/g-CN heterojunction for maximised visible light photocatalytic removal of Bisphenol A.

The occurrence of xenobiotic pollutants in the aquatic environment troubling the present and future generation. Persistent Organic Pollutants (POPs) is one such class of xenobiotic that was dominant in that category. In the present paper, a competent visible light driven heterojunction photocatalyst combining Bismuth niobate and g-CN was developed for the effective removal of Bisphenol A (BPA), a notable POP.

Performance analysis of snail shell biomaterials in solar still for clean water production: nature-inspired innovation for sustainability.

In this current investigation, the experimental performance of a solar still basin was significantly enhanced by incorporating snail shell biomaterials. The outcomes of the snail shell-augmented solar still basin (SSSS) are compared with those of a conventional solar still (CSS). The utilization of snail shells proved to facilitate the reduction of saline water and enhance its temperature, thereby improving the productivity of the SSSS.

Ni(II) and Pd(II) complexes of a new redox-active pentadentate azo-appended 2-aminophenol ligand: Pd(II)-assisted intraligand cyclization forms a phenoxazinyl ring.

Square planar complexes of Ni(II) and Pd(II) of a new redox-active pentadentate azo-appended 2-aminophenol ligand (HL = ,'-bis(2-hydroxy-3,5-di--butylphenyl)-2,2'-diamino--azobenzene) in three accessible redox levels [amidophenolate(2-), semiquinonate(1-) π radical, and quinone(0)] were synthesized. The coordinated HL(3-) ligand provides four donor sites [two N(iminophenolates), an N'(azo), and an O(phenolate)], while the phenolic OH group remains free in the three complexes. Cyclic voltammetry on complex [Ni(L)] 1 and its corresponding Pd(II) analogue [Pd(L)] 2 in CHCl displayed three redox responses (two oxidative at = 0.