Geochemical evolution, geostatistical mapping and machine learning predictive modeling of groundwater fluoride: a case study of western Balochistan, Quetta.

Around 2.6 billion people are at risk of tooth carries and fluorosis worldwide. Quetta is the worst affected district in Balochistan plateau.

Magnetic fields from indoor transformer stations and risk of cancer in adults: a cohort study.

Objectives: Studies assessing the association of adult cancers with extremely low frequency (ELF) magnetic fields (MF) have provided inconclusive results, probably affected by limitations such as low exposure levels, confounding and various forms of bias. This study investigated the association between residential ELF MF exposure and adult cancer using a design that avoids the main limitations of previous studies.

Methods: Persons who have lived in buildings with indoor transformer stations during the period 1971-2016 formed the study cohort.

Genomic association of SNPs rs4077582 of CYP11A1 and rs700519 of CYP19A1 genes with polycystic ovarian syndrome.

Objective: Polycystic Ovarian Syndrome (PCOS) is a complex endocrine disorder that affects women of reproductive age. Several candidate genes have been shown to be associated with PCOS. Previous studies have shown that variations in CYP11A1 and CYP19A1 genes are associated with hormonal dysregulation associated with PCOS in different ethnic populations.

Ca neutral clusters: a two-step and DFT benchmark.

Electronic and structural properties of calcium clusters with a varying size range of 2-20 atoms are studied using a two-step scheme within the and density functional theory (DFT) with generalized gradient approximation (GGA). The GGA overestimates the binding energies, optimized geometries, electron affinities, and ionization potentials reported in the benchmark. The ground-state structure geometry and binding energy were obtained from the DFT for the ground-state structure of each cluster.

Delving the vitamin D receptor variation and expression profiles in the context of type 2 diabetes among families.

Background: Vitamin D is essential for insulin secretion and sensitivity. Consequently, its inadequacy is linked to higher insulin resistance and Type 2 Diabetes (T2D). The Vitamin D receptor (VDR) gene is one potential candidate for T2D, and multiple polymorphisms in VDR have been examined in various populations, but no conclusive answers have been provided.

Investigating structural and electronic properties of neutral zinc clusters: a and Г benchmark.

The structural and electronic properties of zinc clusters (Zn) for a size range of = 2-15 are studied using density functional theory. The particle swarm optimization algorithm is employed to search the structure and to determine the ground-state structure of the neutral Zn clusters. The structural motifs are optimized using the density functional theory approach to ensure that the structures are fully relaxed.

An insight into recent developments of copper, silver and gold carbon dots: cancer diagnostics and treatment.

Cancer is one of the most fatal diseases globally, however, advancement in the field of nanoscience specifically novel nanomaterials with nano-targeting of cancer cell lines has revolutionized cancer diagnosis and therapy and has thus attracted the attention of researchers of related fields. Carbon Dots (CDs)-C-based nanomaterials-have emerged as highly favorable candidates for simultaneous bioimaging and therapy during cancer nano-theranostics due to their exclusive innate FL and theranostic characteristics exhibited in different preclinical results. Recently, different transition metal-doped CDs have enhanced the effectiveness of CDs manifold in biomedical applications with minimum toxicity.

Three-state dynamics of zinc(II) complexes yielding significant antidiabetic targets.

Protein Tyrosine Phosphatase 1B (PTP1B), being negative regulator of insulin signaling pathways is considered as potential medicinal target. Selective and targeted inhibitors for PTP1B can impact the therapeutic options available to cure chronic illness such as diabetes. Significant research evidence including computational studies on the role of Zn in binding and inhibiting the catalytic pocket have been reported along with experimental exploration of zinc(II) complexes as potent inhibitors of the enzyme.

Effect of phosphorus and sodium acetate on lipid accumulation from sp. IFRPD 1061 in an open pond.

sp, has been comprehensively studied for their potential in the production of biodiesel due to their biomass productivity and high lipid content. This study examined the biomass productivity, and concentration, lipid productivity, and concentration, and lipid contents of sp. IFRPD 1061 under several phosphorus concentrations.

Brain Tumor Classification from MRI Using Image Enhancement and Convolutional Neural Network Techniques.

The independent detection and classification of brain malignancies using magnetic resonance imaging (MRI) can present challenges and the potential for error due to the intricate nature and time-consuming process involved. The complexity of the brain tumor identification process primarily stems from the need for a comprehensive evaluation spanning multiple modules. The advancement of deep learning (DL) has facilitated the emergence of automated medical image processing and diagnostics solutions, thereby offering a potential resolution to this issue.

Phenotypic Analysis, Molecular Characterization, and Antibiogram of Caries-Causing Bacteria Isolated from Dental Patients.

Dental caries is a biofilm-mediated, sugar-driven, multifactorial, dynamic disease that results in the phasic demineralization and remineralization of dental hard tissues. Despite scientific advances in cariology, dental caries remains a severe global concern. The aim of this study was to determine the optimization of microbial and molecular techniques for the detection of cariogenic pathogens in dental caries patients, the prevalence of cariogenic bacteria on the basis of socioeconomic, climatological, and hygienic factors, and in vitro evaluation of the antimicrobial activity of selected synthetic antibiotics and herbal extracts.

Chemical insights into the synthetic chemistry of five-membered saturated heterocycles-a transition metal-catalyzed approach.

Drug design and delivery is primarily based on the hunt for new potent drug candidates and novel synthetic techniques. Recently, saturated heterocycles have gained enormous attention in medicinal chemistry as evidenced by the medicinal drugs listed in the FDA Orange Book. Therefore, the demand for novel saturated heterocyclic syntheses has increased tremendously.

β-glucosidase production by recombinant Pichia pastoris strain Y1433 under optimal feed profiles of fed-batch cultivation.

Pichia pastoris, a methylotrophic yeast, is known to be an efficient host for heterologous proteins production. In this study, a recombinant P. pastoris Y11430 was found better for β-glucosidase activity in comparison with a wild type P.

Toxic and repellent impacts of botanical oils against Callosobruchus maculatus (Bruchidae: Coleoptera) in stored cowpea [Vigna unguiculata (L.) Walp.].

Cowpea (Vigna unguiculata) is an important legume which is consumed globally for protein intake, particularly in Asian states. It is a well-known source of dietary fiber, protein, minerals, and vitamins. The cowpea grains are stored after harvest and used till the next harvest.

Synthesis, characterization, and computational study of copper bipyridine complex [Cu (CHN) (NO)] to explore its functional properties.

In the present study, copper (II) complex of 4, 4'-di-tert-butyl-2,2'-bipyridine [Cu (CHN) (NO)], is investigated through its synthesis and characterization using elemental analysis technique, infra-red spectroscopy, and single-crystal analysis. The compound crystallizes in orthorhombic space group 222. The copper atom in the mononuclear complex is hexa coordinated through two nitrogen and four oxygen atoms from bipyridine ligand and nitrate ligands.

Formononetin reshapes the gut microbiota, prevents progression of obesity and improves host metabolism.

Formononetin (FMNT) is an isoflavone that has been studied for its anti-hyperglycemic and anti-diabetic effects. However, the effect of FMNT on gut dysbiosis and metabolic complications associated with western-style diet consumption has not been reported yet. This study aimed to investigate how FMNT can reshape the gut microbiota at a specific dosage and ameliorate the symptoms of obesity-related metabolic disorders in both genders.

Structural probing of HapR to identify potent phytochemicals to control Vibrio cholera through integrated computational approaches.

Cholera is a severe small intestine bacterial disease caused by consumption of water and food contaminated with Vibrio cholera. The disease causes watery diarrhea leading to severe dehydration and even death if left untreated. In the past few decades, V.

Lithiation and Sodiation of Hydrogenated Silicene: A Density Functional Theory Investigation.

The next-generation renewable energy machineries necessitate the electrodes with appropriate electrochemical performance. Here, the anodic properties of silicane for Li- and Na-ion batteries were scrutinized employing first-principle calculations. The projected single-layer hydrogen-functionalized Si (Si H ) structure was energetically, mechanically, dynamically, and thermally stable based on theoretical simulations, confirming its experimental feasibility.

Electrospun Nanofiber-Based Viroblock/ZnO/PAN Hybrid Antiviral Nanocomposite for Personal Protective Applications.

Designing novel antiviral personal protective equipment (PPE) is crucial for preventing viral infections such as COVID-19 in humans. Here, we fabricate an electrospun nanofiber-based Viroblock (VB)-loaded polyacrylonitrile (PAN)/zinc oxide (ZnO) hybrid nanocomposite for PPE applications. Five different concentrations of Viroblock (0.

Groundwater fluoride concentrations in the watershed sedimentary basin of Quetta Valley, Pakistan.

Litho-geochemical characteristics of low and high fluoride (F) groundwater along with hydrological processes were investigated to delineate its genesis and enrichment mechanism in a watershed sedimentary basin. In this study, groundwater F concentration ranged from 0 to 20 mg/L with a mean and standard deviation of 2.8 and ± 3.

Molecular screening of glycyrrhizin-based inhibitors against ACE2 host receptor of SARS-CoV-2.

The interaction between SARS-CoV-2 Spike protein and angiotensin-converting enzyme 2 (ACE2) is essential to viral attachment and the subsequent fusion process. Interfering with this event represents an attractive avenue for the development of therapeutics and vaccine development. Here, a hybrid approach of ligand- and structure-based virtual screening techniques were employed to disclose similar analogues of a reported antiviral phytochemical, glycyrrhizin, targeting the blockade of ACE2 interaction with the SARS-CoV-2 Spike.

Clinical applications of artificial intelligence and machine learning in cancer diagnosis: looking into the future.

Artificial intelligence (AI) is the use of mathematical algorithms to mimic human cognitive abilities and to address difficult healthcare challenges including complex biological abnormalities like cancer. The exponential growth of AI in the last decade is evidenced to be the potential platform for optimal decision-making by super-intelligence, where the human mind is limited to process huge data in a narrow time range. Cancer is a complex and multifaced disorder with thousands of genetic and epigenetic variations.

SARS-CoV-2: An Update on Genomics, Risk Assessment, Potential Therapeutics and Vaccine Development.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a great threat to public health, being a causative pathogen of a deadly coronavirus disease (COVID-19). It has spread to more than 200 countries and infected millions of individuals globally. Although SARS-CoV-2 has structural/genomic similarities with the previously reported SARS-CoV and MERS-CoV, the specific mutations in its genome make it a novel virus.