Computational Insights into Hydrogen Atom Transfer Mediators in C-H Activation Catalysis of Nonheme Fe(IV)O Complexes.

This study presents a detailed density functional theory (DFT) investigation into the mechanism and energetics of C-H activations catalyzed by bioinspired Fe(IV)O complexes, particularly in the presence of -hydroxy mediators. The findings show that these mediators significantly enhance the reactivity of the iron-oxo complex. The study examines three substrates with varying bond dissociation energies─ethylbenzene, cyclohexane, and cyclohexadiene─alongside the [Fe(IV)O(N4Py)] complex.

Stent strategies: Endothelial progenitor cell coated stents vs sirolimus eluting stents in a pairwise meta-analysis.

Background: Endothelial progenitor cells (EPCs) capturing stents were developed to enhance endothelial repair and reduce the risk of stent thrombosis, addressing limitations of Sirolimus-Eluting Stents (SES). This study aims to compare the safety and efficacy of EPC stents versus SES in patients undergoing percutaneous coronary intervention (PCI).

Methods: We performed a meta-analysis following PRISMA guidelines in patients undergoing PCI treated with Sirolimus eluting stent (SES) vs the use of EPC stents and recognized 8 clinical trials with patients undergoing PCI and reporting outcomes such as Target Lesion Failure (TLF), stent thrombosis, and revascularisation.

To assess the availability of antibiotics for online sale and comparison of e-pharmacies on key characteristics influencing safe and rational use of antibiotics: an exploratory analysis.

Background: Growing antimicrobial resistance represents serious public health threat. With the increasing presence of online/e-pharmacies in India, public access to medicines has increased. Easy access coupled with lack of adequate and authentic drug information can undermine rational antibiotic use.

Association of cannabis use disorder with atrial fibrillation in young men without concomitant tobacco use: Insights from nationwide propensity matched analysis.

Background: Recent data are inconclusive regarding the risk of arrhythmias among young cannabis users. Furthermore, many young adults use both cannabis and tobacco, which could add a residual confounding effect on outcomes. So, we studied young men who have cannabis use disorder (CUD) excluding tobacco use disorder (TUD) to understand their independent association with atrial fibrillation (AF) and related outcomes.

An efficient ranking-based ensembled multiclassifier for neurodegenerative diseases classification using deep learning.

Neurodegenerative diseases are group of debilitating and progressive disorders that primarily affect the structure and functions of nervous system, leading to gradual loss of neurons and subsequent decline in cognitive, and behavioral activities. The two frequent diseases affecting the world's significant population falling in the above category are Alzheimer's disease (AD) and Parkinson's disease (PD). These disorders substantially impact the quality of life and burden healthcare systems and society.

CTAB-crafted ZnO nanostructures for environmental remediation and pathogen control.

This study addresses the critical need for efficient and sustainable methods to tackle organic pollutants and microbial contamination in water. The present work aim was to investigate the potential of multi-structured zinc oxide nanoparticles (ZnO NPs) for the combined photocatalytic degradation of organic pollutants and antimicrobial activity. A unique fusion of precipitation-cum-hydrothermal approaches was precisely employed to synthesize the ZnO NPs, resulting in remarkable outcomes.

Impact of carboxylate ligation on the C-H activation reactivity of a non-heme Fe(IV)O complex: a computational investigation.

A comprehensive DFT investigation has been presented to predict how a carboxylate-rich macrocycle would affect the reactivity of a non-heme Fe(IV)O complex towards C-H activation. The popular non-heme iron oxo complex [Fe(O)(N4Py)], (N4Py = ,-(bis(2-pyridyl)methyl)-bis(2-pyridylmethyl)amine) (1), has been selected here as the primary compound. It is transformed to the compound [Fe(O)(Bu-P2DA)], where Bu-P2DA = -(1',1'-bis(2-pyridyl)pentyl)iminodiacetate (2) after the replacement of two pyridine donors of N4Py with carboxylate groups.

Association of tooth loss and nutritional status in adults: an overview of systematic reviews.

Background: Association of tooth loss and nutritional status has been widely researched with conflicting results. This overview aimed to analyse and summarize findings from systematic reviews on association of tooth loss with nutritional status, in view of their quality assessment and methodological characteristics.

Methods: Overview was conducted as per Cochrane Overviews of Reviews guidelines.

Mild Cognitive Impairment: Clinical Presentation and Short-Term Comparative Outcome of Patients With Potentially Modifiable and Nonmodifiable Risk Factors.

To estimate the prevalence and study the clinical presentation of mild cognitive impairment (MCI), assess its outcome in terms of cognition and quality of life, identify factors for reversion to baseline, and compare these factors in the modifiable and nonmodifiable risk factor groups. Individuals aged >50 years with memory/cognitive complaint(s) were screened using the Mini-Cog over 1 year (August 2018-August 2019). Those meeting the criteria for MCI were enrolled, and risk factors (modifiable and nonmodifiable) were noted.

Selected fruit pomaces: Nutritional profile, health benefits, and applications in functional foods and feeds.

The utmost objective of every nation is to achieve zero hunger and ensure the health and well-being of its population. However, in impoverished nations, particularly in rural areas, such issues persist on a daily basis. Currently, there is a growing demand for fruit consumption due to their potential health benefits.

In-hospital outcomes in COVID-19 patients with non-alcoholic fatty liver disease by severity of obesity: Insights from national inpatient sample 2020.

Background: Non-alcoholic fatty liver disease (NAFLD) increases the risk of cardiovascular diseases independently of other risk factors. However, data on its effect on cardiovascular outcomes in coronavirus disease 2019 (COVID-19) hospitalizations with varied obesity levels is scarce. Clinical management and patient care depend on understanding COVID-19 admission results in NAFLD patients with varying obesity levels.

Enhanced production of lactic acid from pretreated rice straw using co-cultivation of and .

Lactic acid (LA) production from sugar mixture derived from lignocellulosic rice straw employing co- culture system of thermotolerant and inhibitor tolerant DGB and DGS15 was carried out. In minimal media, both the strains of DGB and DGS15 worked together by efficiently utilising glucose and xylose respectively. Response Surface Methodology (RSM) was used for optimisation of pretreatment of rice straw to achieve maximum yield of 50.

Aberrant glycosylation of secretory mucin from the oral cavity in tobacco consumers: a pilot study.

Mucins are a family of high-molecular-weight O-linked glycoproteins which are the primary structural components of mucus and maintain homeostasis in the oral cavity. The present study was conducted as the first step towards establishing a correlation of aberrant mucin glycosylation with tobacco-associated clinical conditions. Tobacco habituates for the study were identified on the basis of type, duration, amount, and frequency of using tobacco products.

Synthesis and characterization of a novel copper carboxylate complex and a copper complex-coated polyether sulfone membrane for efficient degradation of methylene blue dye under UV irradiation: the single crystal X-ray structure of the copper carboxylate complex.

Synthesis of a novel binuclear Cu(II) carboxylate complex under ambient laboratory conditions is presented. The complex exhibits a paddle wheel structure in which the axial positions are occupied by two copper atoms instead of two water molecules. The synthesized complex was characterized by single-crystal X-ray crystallography, FT-IR, X-ray diffraction, and UV-visible spectroscopy techniques.

Hepatoprotective effects of fruits pulp, seed, and peel against chemical-induced toxicity: Insights from in vivo studies.

The liver is a vital organ in human physiology positioned in the upper right quadrant of the peritoneal cavity, which plats a critical role in metabolic processes, detoxification of various substances and overall homeostasis. Along with these critical functions, hepatic diseases impose as significant global health threat. Liver illness is the cause of two million fatalities every year, or 4% of all deaths.

Facile Layer Diffusion Technique for Synthesis of Terbium-Based Metal Organic Framework for Fluorometric Sensing of Hydroquinone.

A photoluminescent terbium (III)-based Metal Organic Framework (MOF) was synthesized at room temperature by layer diffusion method utilizing mixed carboxylate linkers (4,4'-oxybis(benzoic acid) and benzene-1,3,5 tricarboxylic acid). Synthesized MOF has crystalline nature and rod-shaped morphology and is thermally stable up to 455 °C. The fluorescence emission spectra and theoretical results revealed that carboxylate linkers functioned as sensitizers for Tb(III) photoluminescence which resulted in four distinct emission peaks at 495, 547, 584, and 621 nm corresponding to the transitions D → F, D → F, D → F, and D → F.

Bifunctional Metal-Organic Nanoballs Featuring Lewis Acidic and Basic Sites as a New Platform for One-Pot Tandem Catalysis.

The design and synthesis of polyhedra using coordination-driven self-assembly has been an intriguing research area for synthetic chemists. Metal-organic polyhedra are a class of intricate molecular architectures that have garnered significant attention in the literature due to their diverse structures and potential applications. Hereby, we report Cu-MOP, a bifunctional metal-organic cuboctahedra built using 2,6-dimethylpyridine-3,5-dicarboxylic acid and copper acetate at room temperature.

Colposcopic findings to study cervical changes in reproductive age group women using various contraceptives.

Background: Colposcopy has a key role to play in see-and-treat programs for premalignant cervical lesions. The aim of the study/was to observe cervical changes with a colposcope using the Swede scoring system in fertile age group women using various contraceptives: conventional methods (barrier methods, coitus interruptus), oral contraceptives (OCPs), copper-T and bilateral tubectomy. The aim of the study was to observe and evaluate the colposcopic findings using the Swede scoring system for the diagnosis of premalignant/malignant lesions in reproductive age group women using various contraceptives.

Association Between Metabolic Syndrome and Hearing Impairment: a Study on 200 Subjects.

The metabolic syndrome (MS) is a cluster of conditions that occur. togehther, increase risk of heart disease, storke, type 2 diabetes mellitus and hypertension as a possible outcome. The previous research has shown a link between hearing loss and being overweight, diabetic, or suffering from heart disease.

Valorization of non-edible fruit seeds into valuable products: A sustainable approach towards circular bioeconomy.

Global imperatives have recently shown a paradigm shift in the prevailing resource utilization model from a linear approach to a circular bioeconomy. The primary goal of the circular bioeconomy model is to minimize waste by effective re-usage of organic waste and efficient nutrient recycling. In essence, circular bioeconomy integrates the fundamental concept of circular economy, which strives to offer sustainable goods and services by leveraging biological resources and processes.

Implications of siRNA Therapy in Bone Health: Silencing Communicates.

The global statistics of bone disorders, skeletal defects, and fractures are frightening. Several therapeutic strategies are being used to fix them; however, RNAi-based siRNA therapy is starting to prove to be a promising approach for the prevention of bone disorders because of its advanced capabilities to deliver siRNA or siRNA drug conjugate to the target tissue. Despite its 'bench-to-bedside' usefulness and approval by food and drug administration for five siRNA-based therapeutic medicines: Patisiran, Vutrisiran, Inclisiran, Lumasiran, and Givosiran, its use for the other diseases still remains to be resolved.

High-valent nonheme Fe(IV)O/Ru(IV)O complexes catalyze C-H activation reactivity and hydrogen tunneling: a comparative DFT investigation.

A comprehensive density functional theory investigation has been presented towards the comparison of the C-H activation reactivity between high-valent iron-oxo and ruthenium-oxo complexes. A total of four compounds, , [Ru(IV)O(tpy-dcbpy)] (1), [Fe(IV)O(tpy-dcbpy)] (1'), [Ru(IV)O(TMCS)] (2), and [Fe(IV)O(TMCS)] (2'), have been considered for this investigation. The macrocyclic ligand framework tpy(dcbpy) implies tpy = 2,2':6',2''-terpyridine, dcbpy = 5,5'-dicarboxy-2,2'-bipyridine, and TMCS is TMC with an axially tethered -SCHCH group.