Computational investigation of the phase stability, electronic, optical, phonon spectrum, and elastic behavior of layered perovskites CaXO (X = Zr, Hf) for optoelectronic applications.

Context: A significant class of solid-state materials, Ruddlesden-Popper (RP) perovskites are well-known for their rich chemical compositions that make them excellent electrocatalysts. Therefore, in this work, we conduct thorough analysis of RP perovskites, specifically CaXO (X = Zr, Hf). We delve into the structural, electronic, optical, and mechanical properties presenting their insights for the first time.

Estimating the social burden of COVID-19 among caregivers of COVID-19 patients in punjab, pakistan.

Quantifying the COVID-19 burden is critical to public health response, resource allocation, and policies to mitigate the pandemic, reduce its impact on health and well-being, and ensure recovery and resilience of affected communities. Though a lot of research has been done worldwide on the issues of caregivers during the pandemic, the information about the Pakistani context is not sufficient. The present study aims to explore and quantify the social burden of family caregivers of COVID-19 patients in Pakistan on scientific grounds, which will be a foundation for the policy, support services, and eventually the improvements in the caregivers well-being who are facing the unrepresentative challenges during the pandemic.

Understanding deNO mechanisms in transition metal exchanged zeolites.

Transition-metal-containing zeolites have wide-ranging applications in several catalytic processes including the selective catalytic reduction (SCR) of NO species. To understand how transition metal ions (TMIs) can effect NO reduction chemistry, both structural and mechanistic aspects at the atomic level are needed. In this review, we discuss the coordination chemistry of TMIs and their mobility within the zeolite framework, the reactivity of active sites, and the mechanisms and intermediates in the NH-SCR reaction.

The Key Features of a Genetic Nondiscrimination Policy: A Delphi Consensus Statement.

Importance: Governments worldwide have become increasingly cognizant of the spread of genetic discrimination (negative treatment or harm on the basis of actual or presumed genetic characteristics). Despite efforts by a number of governments to establish regulations addressing this phenomenon, public concern about genetic discrimination persists.

Objective: To identify key elements of an optimal genetic nondiscrimination policy and inform policymakers as they seek to allay genetic nondiscrimination and related public anxieties.

Structure and phase changes of alumina produced by flame hydrolysis.

Fumed alumina from the combustion of AlCl produced nano particles with specific areas from 30 to 220 m g (BET) which were characterized by powder X-ray diffraction, Al solid-state NMR and transmission electron microscopy. During the short-lived synthesis, highly disordered γ-alumina progressively transforms into a mixture of δ and θ-alumina. For the γ-alumina particles, only for particles with the highest specific area a significant amount of five-coordinated Al can be found which is only partially located in the particle surface.

Investigating the impact of sous vide cooking on the eating quality of spent buffalo (BUBALUS BUBALIS) meat.

This study describes the impact of sous vide cooking at different temperatures and time intervals on the eating quality, specifically tenderness of two muscles, bicep femoris (BF) and semitendinosus (ST) from spent buffalo (Bubalus bubalis). Spent buffalo refers to water buffalo that are no longer considered productive following a sixth lactation cycle. Steaks from each muscle were obtained and cooked at three combinations of time and temperature, namely 55 °C-8H, 65 °C-5H, and 95 °C-45 M, respectively.

Genetic analysis and multimodal imaging identify novel mtDNA 12148T>C leading to multisystem dysfunction with tissue-specific heteroplasmy.

Patients with mitochondrial disorders present with clinically diverse symptoms, largely driven by heterogeneous mutations in mitochondrial-encoded and nuclear-encoded mitochondrial genes. These mutations ultimately lead to complex biochemical disorders with a myriad of clinical manifestations, often accumulating during childhood on into adulthood, contributing to life-altering and sometimes fatal events. It is therefore important to diagnose and characterize the associated disorders for each mitochondrial mutation as early as possible since medical management might be able to improve the quality and longevity of life in mitochondrial disease patients.

Dietary Oyster Mushroom () Waste Inhibits Experimentally Induced Challenge in Japanese Quails Model.

The aim of this study was to investigate the potential of dietary 3% oyster mushroom () waste in enhancing the anticoccidial effects in broilers challenged with infection. The experiment involved a total of 600 Japanese quails, raised from one to thirty-five days of age, which were divided into four treatment groups. These included a negative control group that received a basal diet (BD) without any anticoccidial or antibiotic supplementation in the non-challenged birds (negative control, NC); a positive control (PC) group consisting of NC birds challenged with ; a group that received the BD with an anticoccidial drug (standard); and a group that received the BD supplemented with 3% waste from oyster mushrooms (3% ).

Quadratus lumborum block and transversus abdominis plane block in laparoscopic nephrectomy: a meta-analysis.

To study the efficacy of quadratus lumborum block (QLB) and transversus abdominis plane (TAP) in laparoscopic nephrectomy patients. We conducted a meta-analysis of randomized controlled trials for QLB and/or TAP technique compared with each other or a control. Direct analysis of 24 h post-op pain score at rest for each compared with control showed significant reduction, QLB (mean differences [MD] [95% CI]: -1.

Correlation of Vitamin D deficiency with chest X-rays severity scores and different inflammatory markers in severe and critical COVID-19 patients.

Objective: To determine the relationship between Vitamin D deficiency with Chest X-Rays severity score and Different Inflammatory Markers in Severe and Critical COVID-19 Patients.

Design: A cross-sectional study.

Setting: The study was conducted in COVID-19 isolation units at Mardan Medical Complex Teaching Hospital (MMCTH) and Bacha Khan Medical College, Pakistan.

Determinants of HIV/Aids Knowledge Among Females in Somalia: Findings from 2018 to 2019 SDHS Data.

Background: Immunodeficiency syndrome (AIDS), which is caused by the human immunodeficiency virus (HIV), has become a serious global public health concern, particularly in underdeveloped countries. Even though the fact that just a few case studies have addressed on the HIV/AIDS in the context of Somalia, to the best of our knowledge, no national-scale study on the topic has been attempted. Limited knowledge of HIV/AIDS is highlighted as one of the major factors linked to the high prevalence of HIV among female population.

Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems.

Vibrational spectroscopy is one of the most well-established and important techniques for characterizing chemical systems. To aid the interpretation of experimental infrared and Raman spectra, we report on recent theoretical developments in the ChemShell computational chemistry environment for modelling vibrational signatures. The hybrid quantum mechanical and molecular mechanical approach is employed, using density functional theory for the electronic structure calculations and classical forcefields for the environment.

Multiscale QM/MM modelling of catalytic systems with ChemShell.

Hybrid quantum mechanical/molecular mechanical (QM/MM) methods are a powerful computational tool for the investigation of all forms of catalysis, as they allow for an accurate description of reactions occurring at catalytic sites in the context of a complicated electrostatic environment. The scriptable computational chemistry environment ChemShell is a leading software package for QM/MM calculations, providing a flexible, high performance framework for modelling both biomolecular and materials catalysis. We present an overview of recent applications of ChemShell to problems in catalysis and review new functionality introduced into the redeveloped Python-based version of ChemShell to support catalytic modelling.

Gastroparesis-Related Symptoms in Patients With Type 2 Diabetes Mellitus: Early Detection, Risk Factors, and Prevalence.

Background The symptoms of gastroparesis, such as bloating, postprandial fullness, early satiety, nausea, and abdominal discomfort, progressively worsen the quality of life of the affected individuals. The diagnosis is established on the assessment of gastric function that confirms delayed gastric emptying in the absence of structural etiologies. This study aimed to detect gastroparesis-related clinical symptoms early in patients with type 2 diabetes mellitus (T2DM), investigate the concomitant risk factors, and evaluate the prevalence.

Factor Associated with HIV/AIDS knowledge among males: Findings from 2017-18 Pakistan Demographic and Health Survey.

Acquired immune deficiency syndrome (UNAIDS) has risen as the serious public health problem across the world. Knowledge about HIV/AIDS is the cornerstone for prevention and treatment. Research is needed to explore the attitude and the effect of different demographic, geographic, and socioeconomic and media exposure factors on males knowledge about HIV in Pakistan.

Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite.

The copper-exchanged zeolite Cu-CHA has received considerable attention in recent years, owing to its application in the selective catalytic reduction (SCR) of NO species. Here, we study the NH-SCR reaction mechanism on Cu-CHA using the hybrid quantum mechanical/molecular mechanical (QM/MM) technique and investigate the effects of solvent on the reactivity of active Cu species. To this end, a comparison is made between water- and ammonia-solvated and bare Cu species.

De novo and inherited variants in coding and regulatory regions in genetic cardiomyopathies.

Background: Cardiomyopathies are a leading cause of progressive heart failure and sudden cardiac death; however, their genetic aetiology remains poorly understood. We hypothesised that variants in noncoding regulatory regions and oligogenic inheritance mechanisms may help close the diagnostic gap.

Methods: We first analysed whole-genome sequencing data of 143 parent-offspring trios from Genomics England 100,000 Genomes Project.

Digitization of imaging plates from Guinier powder X-ray diffraction cameras.

A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different standard file formats for powder X-ray patterns containing intensities, their standard deviations and the diffraction angles. The program also allows for manual and automatic correction of the 2θ scale against a known reference material.

Effects of Mutual Coupling on Gain and Beam Width of a Linear Array of a Dielectric Resonator Antenna for Main Beam Scanning Applications.

The effects of mutual coupling on the scanning characteristics of a four-element linear rectangular dielectric resonator antenna array (RDRA) are investigated for different inter-element spacing in this work. In particular, the gain and half-power beam width (HPBW) of an RDRA are studied for various scan angles in the E- and H-plane configurations. It is shown that for both the E and H planes, mutual coupling has an adverse effect on the performance of both phased array configurations.

Clustering-based iterative heuristic framework for a non-emergency patients transportation problem.

Introduction: Non-emergency patient transportation (NEPT) services are particularly important nowadays due to the aging population and contagious disease outbreaks (e.g., Covid-19 and SARS).

A CPW fed quad-port MIMO DRA for sub-6 GHz 5G applications.

The present work investigates a novel four-port, multiple-input multiple-output (MIMO), single element dielectric resonator antenna (DRA) for sub-6 GHz band. The DRA is designed and fabricated into a symmetric cross shape and fed using a coplanar waveguide (CPW) feed. A single radiator with four ports is rarely found in the literature.

SARS-CoV-2 Susceptibility and Gene Variations Within Diverse Ethnic Backgrounds.

There is considerable variability in the susceptibility and progression for COVID-19 and it appears to be strongly correlated with age, gender, ethnicity and pre-existing health conditions. However, to our knowledge, cohort studies of COVID-19 in clinically vulnerable groups are lacking. Host genetics has also emerged as a major risk factor for COVID-19, and variation in the ACE2 receptor, which facilitates entry of the SARS-CoV-2 virus into the cell, has become a major focus of attention.

Copper sulfide nanostructures: synthesis and biological applications.

Over the past few years, considerable attention has been paid to biomedical applications of copper sulfide nanostructures owing to their enhanced physiochemical and pharmacokinetics characteristics in comparison to gold, silver, and carbon nanomaterials. The small-sized Cu S nanoparticles have the advantage to absorb efficiently in the near-infrared region (NIR) above 700 nm and the absorption can be tuned by altering their stoichiometries. Moreover, their easy removal through the kidneys overpowers the issue of toxicity caused by many inorganic substances.