Synthesis, structural characterization, Hirshfeld surface analysis and QTAIM analysis of 3-(4-cyano-thio-phen-3-yl)-[1,2,4]selena-diazolo[4,5-]pyridin-4-ium chloride.

The title compound, CHNSSe·Cl, produced by the reaction between 3,4-di-cyano-thio-phene and 2-pyridyl-selenyl chloride was isolated as a salt that crystallizes in the triclinic space group 1. Notable features include strong chalcogen inter-actions (Se⋯Cl and Se⋯S), as revealed through Hirshfeld surface analysis, which also highlights significant contributions from N⋯H/H⋯N, C⋯H/H⋯C and H⋯H contacts in the crystal packing. Supra-molecular inter-actions were further analysed using density functional theory (DFT) and quantum theory of atoms in mol-ecules (QTAIM) at the ωB97XD/6-311++G** level of theory.

Crystal structure of 1-[(4-chloro-phen-yl)di-phenylyl-meth-yl]-3-(tri-fluoro-meth-yl)-1-pyrazole.

The title compound, CHClFN, was synthesized from 3-(tri-fluoro-meth-yl)-1-pyrazole and chloro-(4-chloro-phen-yl)methyl-ene)di-benzene. The structure features intra-molecular (Ph)C-H⋯N and inter-molecular (Ph)C-H⋯F hydrogen bonds, as well as C-H⋯π-ring inter-actions between the phenyl and pyrazole rings.

Effects of Female Sex Hormone Therapy on Nasal Mucosa.

Women worldwide commonly use combined oral contraceptives (COCs) and hormone replacement therapy(HRT). Nevertheless, there is still ambiguity regarding the possible influence of these hormone therapy on the nasal mucosa. A systematic review was performed according to PRISMA guidelines.

Features of the monocyte inflammatory response in patients with premature coronary artery disease.

The purpose of this study was to examine the secretion of inflammatory cytokines by cultured monocytes/macrophages in patients with premature coronary artery disease (CAD). The study included 38 patients with premature CAD and 35 patients without CAD. A primary culture of CD14+ monocytes was obtained by immunomagnetic separation.

6-Benzylaminopurine-dependent starch accumulation is key to drought tolerance in tall fescue subjected to water deficiency.

Unlabelled: Drought is a natural disaster that exerts considerable adverse impacts on the agricultural sector. This study aimed to investigate the cytokinin-mediated carbohydrate accumulation in the aerial parts of the plant and the roots in four-month-old drought-stressed tall fescue ( Schreb.) plants.

Light-activated semiconductor gas sensors: pathways to improve sensitivity and reduce energy consumption.

Resistive type gas sensors based on wide-bandgap semiconductor oxides are remaining one of the principal players in environmental air monitoring. The rapid development of technology and the desire to miniaturize electronics require the creation of devices with minimal energy consumption. A promising solution may be the use of photoactivation, which can initiate/accelerate physico-chemical processes at the solid-gas interface and realize detection of flammable and explosive gases at close to room temperature.

Application of Iodine-Amine Oxidation Approach in the Synthesis of Various N-Alkyl Phosphoramidate Oligonucleotide Derivatives.

Introduction: Nowadays, use of phosphate modifications in oligonucleotide backbone has become a common approach for imbuing its structure with the desired beneficial properties. The recent advances in successful application of different classes of phosphate modifications in the design of therapeutic oligonucleotides have led to a renewed interest in the development of approaches for introducing diverse classes of phosphate modifications.

Methods: This study aims to investigate the efficiency and optimize protocols for the application of the iodine-amine oxidation reaction to produce various N-alkyl phosphoramidate oligonucleotide derivatives during the conventional solid-phase phosphoramidite synthesis method.

Unveiling cutting-edge developments in defective BiOI nanomaterials: Precise manipulation and improved functionalities towards bolstered photocatalysis.

Defect engineering represents a paradigm shift in tailoring nanomaterials for enhanced catalytic performance across various applications. This manuscript succinctly highlights the significance of defect engineering in improving the catalytic performance of BiOI nanoparticles for multiple applications, particularly in photocatalysis. The photocatalytic process of BiOI semiconductor is intricately linked to its indirect bandgap and layered crystalline structure.

Differential gene expression and metabolic pathways in Toona sinensis: Influence on colour and aroma.

Toona sinensis, a plant species renowned for its culinary and medicinal properties, exhibits diverse colour variations that contribute to its aesthetic appeal and commercial value. Understanding the molecular mechanisms underlying colour and aroma traits in Toona sinensis is crucial for breeding programs and quality regulation in agriculture and the food industry. The present investigation included a comprehensive analysis of the transcriptomic and metabolomic profiles of Toona sinensis with different colours, including green, red, and red leaves with green stems.

Enhancing energy efficiency in buildings using sawdust-based insulation in hot arid climates.

In the quest for sustainable construction solutions, this study explores the thermal insulation potential of sawdust as an eco-friendly material for building applications in hot-arid climates, with a focus on Iraq. The research evaluates the thermal behavior of sawdust when mixed with clay and glue, forming two different composite insulation materials. Laboratory experiments were conducted to measure thermal conductivity, with results compared against traditional insulators like Styrofoam.

Exploring tubulin-paclitaxel binding modes through extensive molecular dynamics simulations.

Cancer treatment remains a pressing challenge, with paclitaxel playing a pivotal role in chemotherapy by disrupting mitotic spindle dynamics through microtubule stabilization. However, the molecular details of paclitaxel interaction with β-tubulin, its target, remain elusive, impeding efforts to overcome drug resistance and optimize efficacy. Here, we employ extensive molecular dynamics simulations to probe the binding modes of paclitaxel within tubulin protofilaments.

European trends in attitudes and strategies for myopia management in clinical practice.

Background: Surveys conducted between 2015 and 2022 showed growing concern among European eye care practitioners about myopia management, though adoption of effective strategies varied. This study updates findings from 2024, analysing trends in attitudes and strategies for myopia management across Europe from 2015 to 2024.

Methods: A cross-sectional online survey targeting European eye care practitioners was distributed in multiple languages through professional bodies.

Comparing the effectiveness of dual-task and single-task training on walking function in stroke recovery: A systematic review and meta-analysis.

Background: Stroke is a prevalent neurological disease with high morbidity and disability. Single-task walking training has limitations, and dual-task walking training has emerged. Yet, research on the relative effectiveness of dual- and single-task training for stroke patients' walking function is inconclusive.

Primary radical ions in irradiated carbonates.

This study focuses on primary radical ionic species created in liquid carbonates upon high-energy radiation. We studied the radiation-induced fluorescence intensity decays observed from solutions of luminophores in dimethyl, diethyl, ethylene, and propylene carbonates. Based on the effects of external magnetic and electric fields on the fluorescence decays on a timescale of 1-60 ns and quantum chemical calculations, we found that in all studied carbonates, solvent ionization was rapidly followed by the formation of comparatively long-lived positive charge and unpaired electron spin carriers.

BioArchLinux: community-driven fresh reproducible software repository for life sciences.

Motivation: The BioArchLinux project was initiated to address challenges in bioinformatics software reproducibility and freshness. Relying on Arch Linux's user-driven ecosystem, we aim to create a comprehensive and continuously updated repository for life sciences research.

Results: BioArchLinux provides a PKGBUILD-based system for seamless software packaging and maintenance, enabling users to access the latest bioinformatics tools across multiple programming languages.

Eukaryotic initiation factors eIF4F and eIF4B promote translation termination upon closed-loop formation.

Eukaryotic translation initiation factor 4F (eIF4F), comprising subunits eIF4G, eIF4E, and eIF4A, plays a pivotal role in the 48S preinitiation complex assembly and ribosomal scanning. Additionally, eIF4B enhances the helicase activity of eIF4A. eIF4F also interacts with poly (A)-binding protein (PABP) bound to the poly (A) tail of messenger RNA (mRNA), thereby forming a closed-loop structure.

Superficial Temporal Artery-Middle Cerebral Artery Bypass Treatment Planning for Cerebral Ischaemia Based on Multi-Scale Model.

Superficial temporal artery and middle cerebral artery (STA-MCA) bypass surgery is an effective method to enhance cerebral blood flow (CBF) in ischemic patients. However, the effectiveness of various bypass techniques varies with the diversity of Circle of Willis (CoW) structures. This study aims to develop a physiologically realistic hemodynamic model to optimize STA-MCA bypass planning for cerebral ischemia patients with different CoW structures.

Antivirotics based on defective interfering particles: emerging concepts and challenges.

Viruses are obligate parasites, that use the host's internal metabolic systems for their own reproduction. This complicates the search for molecular targets to prevent the spread of viral infection without disrupting the vital functions of human cells. Defective interfering particles (DIPs) are natural competitors of viruses for important resources of viral reproduction.

Global partnerships in combating tropical diseases: assessing the impact of a U.S. withdrawal from the WHO.

Background: Annually, tropical diseases are a major cause of mortality; for instance, in 2019, neglected tropical diseases (NTDs) caused 150,000 deaths and 19 million DALYs, with sub-Saharan Africa bearing over half the burden and the other concentrations in Asia and South America. Their impact, though significant, is lower than ischemic heart disease and respiratory infections. The World Health Organization is critical in combating these tropical diseases through surveillance, information campaigns and health promotion.

Clarifying the origin of molecular O in cathode oxides.

Anionic redox has reshaped the conventional way of exploring advanced cathode materials for Li-ion batteries. However, how anions participate in the redox process has been the subject of intensive debate, evolving from electron holes to O-O dimerization and currently to a focus on trapped molecular O based on high-resolution resonant X-ray inelastic scattering research. Here we show that the resonant X-ray inelastic scattering signal of molecular O is not exclusive to Li-rich oxide cathodes, but appears consistently in O-redox-inactive oxide materials even with a short beam exposure time as low as 1 min, indicating that molecular O species are not directly related to voltage hysteresis and voltage decay.

Bedmap3 updated ice bed, surface and thickness gridded datasets for Antarctica.

We present Bedmap3, the latest suite of gridded products describing surface elevation, ice-thickness and the seafloor and subglacial bed elevation of the Antarctic south of 60 °S. Bedmap3 incorporates and adds to all post-1950s datasets previously used for Bedmap2, including 84 new aero-geophysical surveys by 15 data providers, an additional 52 million data points and 1.9 million line-kilometres of measurement.

Observation of an Associative State in Aqueous Hydroxide.

The dynamics of chemical reactions in solution are of paramount importance in fields ranging from biology to materials science. Because the hydrogen-bond network and proton dynamics govern the behavior of aqueous solutions, they have been the subject of numerous studies over the years. Here, we report the observation of a previously unknown associative state in the hydroxide ion that forms when a proton from a neighboring water molecule approaches the hydroxide ion, utilizing resonant inelastic soft X-ray scattering (RIXS) and quantum dynamical simulations.

Metagenomic insights of microbial functions under conventional and conservation agriculture.

Agricultural practices such as conventional (CN) and conservation agriculture (CA) influence the composition and structure of soil microorganisms. We used short reads and genome-resolved metagenomic-based dual sequencing approaches to create a profile of bacterial and archaeal communities in hyperthermic Typic Haplustepts soil after seven years of CA and CN. The most differences in the physico-chemical and biological properties of soil were higher pH, organics carbon, available nitrogen and microbial biomass contents, activities of dehydrogenase, β-glucosidase, and arylsulfatase, found in CA soil.