Apolipoprotein E Gene Variation in Pakistani Subjects with Type 2 Diabetes with and without Cardiovascular Complications.

Background: Apolipoprotein E (APOE) gene polymorphism has been implicated in the pathogenesis of various metabolic disorders, including type 2 diabetes mellitus (T2DM). Type 2 diabetes mellitus (T2DM) is a major public health concern worldwide, including in Pakistan. Cardiovascular problems linked with T2DM have a significant impact on individuals and society. The goal of this study is to investigate the relationship between Apolipoprotein E (ApoE) genotypes, dyslipidemia, and cardiovascular complications such as ischemic heart disease (IHD) and stroke. Methods: This study was carried out on 260 subjects divided into controls and diabetics. The diabetics were further divided into four subgroups such as D1: diabetics without cardiovascular issues, D2: diabetics with heart disease, D3: diabetics with stroke, and D4: diabetics with both heart disease and stroke. Anthropometric parameters (age, BMI) and risk factors (smoking, diabetes duration, hypertension) were assessed in all groups. Serum levels of TC, TG, LDL, HDL, VLDL, creatinine, BSF, and HbA1c were also measured. Apolipoprotein E gene polymorphism was determined using PCR-RFLP. Results: Hypertension, BMI, and dyslipidemia are defined as elevated levels of total cholesterol, triglycerides, LDL, and VLDL, and decreased levels of HDL. Uncontrolled hyperglycemia (elevated fasting blood sugar and glycated hemoglobin) in T2DM was linked to vascular complications such as IHD and stroke. Hypertension was prevalent in 79.3% of the population. Stage 2 hypertension was more prevalent in all age groups. It was also noted that common genotypes in the Pakistani population are 3/3, 4/4, 2/3, and 3/4. The frequency of genotypes 3/4 and 2/3 is highest in diabetics with stroke. Genotype 3/3 is present frequently in diabetics with IHD/stroke and patients with both these complications. However, genotype 4/4 is most frequently found in diabetics with IHD. Conclusions: It is concluded that BMI, hypertension, hyperglycemia, atherosclerosis, and dyslipidemia are linked with cardiovascular complications of type 2 diabetes. Apolipoprotein E gene polymorphism is associated with cardiovascular disease in patients with diabetes by affecting the lipid profile.

Insight into de-regulation of amino acid feedback inhibition: a focus on structure analysis method.

Regulation of amino acid's biosynthetic pathway is of significant importance to maintain homeostasis and cell functions. Amino acids regulate their biosynthetic pathway by end-product feedback inhibition of enzymes catalyzing committed steps of a pathway. Discovery of new feedback resistant enzyme variants to enhance industrial production of amino acids is a key objective in industrial biotechnology. Deregulation of feedback inhibition has been achieved for various enzymes using in vitro and in silico mutagenesis techniques. As enzyme's function, its substrate binding capacity, catalysis activity, regulation and stability are dependent on its structural characteristics, here, we provide detailed structural analysis of all feedback sensitive enzyme targets in amino acid biosynthetic pathways. Current review summarizes information regarding structural characteristics of various enzyme targets and effect of mutations on their structures and functions especially in terms of deregulation of feedback inhibition. Furthermore, applicability of various experimental as well as computational mutagenesis techniques to accomplish feedback resistance has also been discussed in detail to have an insight into various aspects of research work reported in this particular field of study.

Antioxidant effect of Moringa olifera leaves extract in extender improves post-thaw quality, kinematics, lipid peroxidation, total antioxidant capacity and fertility of water buffalo bull semen.

Our objectives were to determine the antioxidant effect of Moringa olifera leave extract (MLE) in tris extender on post-thaw quality, kinematics, lipid peroxidation, total antioxidant capacity and field fertility of water buffalo bull semen. Semen was collected on a weekly basis for 5 weeks (n = 5 bulls & n = 25). After collection, every sample was diluted individually with extender (tris egg yolk) containing MLE concentrations (0%, 5%, 10%, 15% and 20%) at 37°C. After dilution, semen was filled in 0.54 mL straws and frozen in automatic freezer. After thawing, sperm motility (%) (progressive & total), path velocity (µm/s), straight velocity (µm/s), curvilinear velocity (%), beat cross frequency (Hz), linearity (%), straightness (%), length of average path (µm), length of straight-line path (µm), length of curvilinear path (µm), plasma membrane integrity (%), acrosome membrane integrity (%), DNA integrity (%) and morphology (%) were higher (p < 0.05) in spermatozoa preserved in extender containing 15% MLE as compared to control. The fertility rate (60%, vs. 45%) was higher (p < 0.05) with semen doses frozen with 15% MLE in extender than the control. In conclusion, 15% MLE improves semen quality, kinematics and field fertility in water buffaloes.

Three New Acrylic Acid Derivatives from Achillea mellifolium as Potential Inhibitors of Urease from Jack Bean and α-Glucosidase from Saccharomyces cerevisiae.

(1) Background: Achillea mellifolium belongs to a highly reputed family of medicinal plants, with plant extract being used as medicine in indigenous system. However, limited data is available regarding the exploitation of the medicinal potential of isolated pure compounds from this family; (2) Methods: A whole plant extract was partitioned into fractions and on the basis of biological activity, an ethyl acetate fraction was selected for isolation of pure compounds. Isolated compounds were characterized using different spectroscopic techniques. The compounds isolated from this study were tested for their medicinal potential using in-vitro enzyme assay, coupled with in-silico studies; (3) Results: Three new acrylic acid derivatives (1-3) have been isolated from the ethyl acetate fraction of Achillea mellifolium. The characterization of these compounds (1-3) was carried out using UV/Vis, FT-IR, 1D and 2D-NMR spectroscopy (1H-NMR, 13C-NMR, HMBC, NOESY) and mass spectrometry. These acrylic acid derivatives were further evaluated for their enzyme inhibition potential against urease from jack bean and α glucosidase from Saccharomyces cerevisiae, using both in-silico and in-vitro approaches. In-vitro studies showed that compound 3 has the highest inhibition against urease enzyme (IC50 =10.46 ± 0.03 µΜ), followed by compound 1 and compound 2 with percent inhibition and IC50 value of 16.87 ± 0.02 c and 13.71 ± 0.07 µΜ, respectively, compared to the standard (thiourea-IC50 = 21.5 ± 0.01 µΜ). The investigated IC50 value of compound 3 against the urease enzyme is two times lower compared to thiourea, suggesting that this compound is twice as active compared to the standard drug. On the other hand, all three compounds (1-3) revealed mild inhibition potential against α-glucosidase. In-silico molecular docking studies, in combination with MD simulations and free energy, calculations were also performed to rationalize their time evolved mode of interaction inside the active pocket. Binding energies were computed using a MMPBSA approach, and the role of individual residues to overall binding of the inhibitors inside the active pockets were also computed; (4) Conclusions: Together, these studies confirm the inhibitory potential of isolated acrylic acid derivatives against both urease and α-glucosidase enzymes; however, their inhibition potential is better for urease enzyme even when compared to the standard.

Synthesis, evaluation of thymidine phosphorylase and angiogenic inhibitory potential of ciprofloxacin analogues: Repositioning of ciprofloxacin from antibiotic to future anticancer drugs.

Over expression of thymidine phosphorylase (TP) in various human tumors compared to normal healthy tissue is associated with progression of cancer and proliferation. The 2-deoxy-d-ribose is the final product of thymidine phosphorylase (TP) catalyzed reaction. Both TP and 2-deoxy-d-ribose are known to promote unwanted angiogenesis in cancerous cells. Discovery of potent inhibitors of thymidine phosphorylase (TP) can offer appropriate approach in cancer treatment. A series of ciprofloxacin 2, 3a-3c, 4a-4d, 5a-5b, 6 and 7 has been synthesized and characterized using spectroscopic techniques. Afterwards, inhibitory potential of synthesized ciprofloxacin 2, 3a-3c, 4a-4d, 5a-5b, 6 and 7 against thymidine phosphorylase enzyme was assessed. Out of these twelve analogs of ciprofloxacin nine analogues 3a-3c, 4a-4c, 5a-5b and 6 showed good inhibitory activity against thymidine phosphorylase. Inhibitory activity as presented by their IC50 values was found in the range of 39.71 ± 1.13 to 161.89 ± 0.95 µM. The 7-deazaxanthine was used as a standard inhibitor with IC50 = 37.82 ± 0.93 µM. Furthermore, the chick chorionic allantoic membrane (CAM) assay was used to investigate anti-angiogenic activity of the most active ciprofloxacin-based inhibitor 3b. To enlighten the important binding interactions of ciprofloxacin derivatives with target enzyme, the structure activity relationship and molecular docking studies of chosen ciprofloxacin analogues was discussed. Docking studies revealed key π-π stacking, π-cation and hydrogen bonding interactions of ciprofloxacin analogues with active site residues of thymidine phosphorylase enzyme.

Isolation of dihydrobenzofuran derivatives from ethnomedicinal species Polygonum barbatum as anticancer compounds.

BACKGROUND: Ethnomedicinally, the family Polygonaceae is famous for the management of cancer. Various species of this family have been reported with anticancer potentials. This study was designed to isolate anticancer compounds from ethnomedicinally important species Polygonum barbatum. METHODS: The column chromatography was used for the isolation of compounds from the solvent fraction of P. barbatum. The characterization of isolated compounds was performed by various spectroscopic techniques like UV, IR, mass spectrometry and 1D-2D NMR spectroscopy. Keeping in view the ethnomedicinal importance of the family, genus and species of P. barbatum, the isolated compounds (1-3) were screened for anticancer potentials against oral cancer (CAL-27) and lungs cancer (NCI H460) cell lines using MTT assay. Active compound was further investigated for apoptosis by using morphological changes and flow cytometry analysis. In vivo anti-angiogenic study of the isolated compounds was also carried using chorioallantoic membrane assay. Docking studies were carried out to explore the mechanism of anticancer activity. RESULTS: Three dihydrobenzofuran derivatives (1-3) have been isolated from the ethyl acetate fraction of P. barbatum. The structures of isolated compounds were elucidated as methyl (2S,3S)-2-(3,4-dimethoxyphenyl)-4-((E)-3-ethoxy-3-oxoprop-1-en-1-yl)-7-methoxy-2,3-dihydrobenzo-furan-3-carboxylate (1), (E)-3-((2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-(methoxy carbonyl)-2,3-dihydrobenzofuran-4-yl)acrylic acid (2) and (2S,3S)-4-((E)-2-carboxyvinyl)-2-(3,4-dimethoxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid (3). The compound 1 was found to be more potent with IC50 of 48.52 ± 0.95 and 53.24 ± 1.49 against oral cancer cells as compared to standard drug (IC50 = 97.76 ± 3.44 µM). Both compound also inhibited lung cancer cells but at higher concentrations. Morphological and flow cytometry analysis further confirms that compound 1 induces apoptosis after 24 to 48 h treatment. In antiangiogenesis assay, compounds 1, 2 and 3 exhibited IC50 values of 8.2 ± 1.1, 13.4 ± 1.1 and 57.7 ± 0.3 µM respectively. The docking studies revealed that the compounds under study have the potential to target the DNA and thymidylate synthase (TS). CONCLUSION: Based on its overwhelming potency against the tested cell lines and in angiogenesis assay, compound 1 can be further evaluated mechanistically and can be developed as anticancer drug candidate.

Addition of pomegranate juice (Punica granatum) in tris-based extender improves post-thaw quality, motion dynamics and in vivo fertility of Nili Ravi buffalo (Bubalus bubalis) bull spermatozoa.

The aim of the present study was to determine the protective effects of pomegranate juice in tris-based extender on semen parameters, computer-assisted sperm analysis (CASA) motion characteristics and field fertility of post-thawed Nili Ravi buffalo (Bubalus bubalis) bull spermatozoa. Two consecutive ejaculates/collection from each of the five adult Nili Ravi buffalo bulls were collected with artificial vagina at 42°C for a period of 7 weeks, diluted in extender containing different concentrations of pomegranate juice (0.0%, 2.5%, 5%, 7.5% and 10%). Diluted samples were packed and frozen in 0.54 ml French straws. The addition of 10% pomegranate juice in extender significantly improved post-thaw sperm morphology (%), motilities (CASA total motility, progressive motility (%) as well as VAP, VSL, VCL, STR, DAP, DSL) compared to the control group (p < 0.05). Plasma membrane, acrosome membrane and DNA integrity were significantly higher in extender with 10% pomegranate juice than the control group (p < 0.05). Field fertility rate (60.39% vs. 46.53%) was higher (p < 0.05) in extender with 10% pomegranate juice as compared to the control. It is therefore concluded that the addition of 10% pomegranate juice in tris-based extender improves post-thaw semen parameters, CASA motion dynamics and field fertility in Nili Ravi buffaloes.

Comparison of Tris egg yolk-based, Triladyl® and Optixell® extender on post-thaw quality, Kinematics and in vivo fertility of Nili Ravi Buffalo (Bubalus bubalis) bull spermatozoa.

Our objectives were to ascertain the comparison of Tris egg yolk-based, Triladyl® and Optixell® extender on postthaw quality, CASA parameters and in vivo fertility of Nili Ravi buffalo (Bubalus bubalis) bull spermatozoa. Semen samples (n = 35) from five bulls were diluted in Tris egg yolk-based, Triladyl® , Optixell® extender and frozen in 0.50 ml French straws. Postthaw sperm CASA motility (%) was higher (p < 0.05) in Optixell extender as compared to Triladyl and Tris egg yolk-based extender. Although sperm progressive motility (%), morphology (%), average path velocity (µm/s), straight line velocity (µm/s), curvilinear velocity (µm/s), amplitude of lateral head displacement (µm), beat cross-frequency (Hz), straightness (%), length of curvilinear path (µm), length of average path (µm), intact plasma and acrosome membrane (%), and DNA integrity (%) were higher (p < 0.05) in spermatozoa cryopreserved in Optixell® extender as compared to Tris egg yolk-based and Triladyl® extender. The fertility rates (68.18%, 45.45%, 55.4%) were higher (p < 0.05) in buffaloes inseminated with semen doses frozen in Optixell extender than the Tris egg yolk-based and Triladyl® extender respectively. It is concluded that Optixell® extender improves postthaw semen quality and fertility in Nili Ravi buffaloes.

Isolation and characterization of three new anti-proliferative Sesquiterpenes from Polygonum barbatum and their mechanism via apoptotic pathway.

BACKGROUND: The emergence of chemoresistant cancers and toxicity related to existing chemotherapeutic agents, demand the search for new pharmacophore with enhanced anti-cancer activity and least toxicity. For this purpose, three new sesquiterpenes were isolated from ethyl acetate fraction of the aerial parts of the plant Polygonum barbatum and evaluated for their anti-cancer potential. METHODS: The structural elucidation and characterization of the isolated compounds 1-3 were performed using various spectroscopic techniques such as mass, UV, IR, and extensive 1D/2D-NMR spectroscopy. Furthermore, the compounds 1-3 were subjected to screening of anti-cancer activity against different cell lines followed by brief analysis of apoptotic and anti-angiogenic potentials of the potent hit against non-small cell lung carcinoma cell line. RESULTS: All the compounds 1-3 were subjected to anti-proliferative potential against non-small cell lung carcinoma (NCI-H460), breast cancer (MCF-7), cervical cancer (HeLa) and normal mouse fibroblast (NIH-3 T3) cell lines. Among these, compound 3 was found to be more cytotoxic against NCI-H460 and MCF-7 cells (IC50 = 17.86 ± 0.72 and 11.86 ± 0.46 µM respectively). When compared with the standard drug cisplatin compound 3 was found to have more potent activity against NCI-H460 (IC50 = 19 ± 1.24 µM) as compared to MCF-7 cell lines (IC50 = 9.62 ± 0.5 µM). Compound 3 induced apoptosis in NCI-H460 cells in a dose dependent manner. It significantly downregulated, the expression of anti-apoptotic (BCL-2 L1 and p53) and increased the expression of pro-apoptotic (BAK and BAX) genes. Besides apoptosis, it also significantly reduced the cell migration and downregulated the angiogenic genes (i.e. VEGF and COX-2), thereby, inhibiting angiogenesis in NCI-H460 cells. CONCLUSION: Compound 3 possesses potent anti-proliferative potential as well as induced apoptosis and inhibited the cell migration of the cancerous cells by altering the gene expression, responsible for it.

Phytoextraction of HG by parsley (Petroselinum crispum) and its growth responses.

The effect of mercury (Hg) on the growth and survival of parsley (Petroselinum crispum) was explored at various treatments. The plants were grown in pots having Hoagland's solution to which various Hg treatments were applied and placed under greenhouse conditions. The treatments were: no metal applied (control) and six doses of Hg as mercuric chloride for 15 days. Linear trend of Hg accumulation was noted in roots, stems, and leaves with increasing Hg treatments. The maximum Hg concentration in root, stem and leaf was 8.92, 8.27, and 7.88 at Hg treatments of 25 mg l(-1), respectively. On the whole, Hg accumulation in different plant parts was in the following order: leaves > stem > roots. Linear trend was also observed for Bioaccumulation Factor (BF) and Translocation Factor (TF) with increasing Hg concentrations in the growth medium. The highest respective BFHg and TFHg values were 9.32 and 2.02 for the Hg treatments of 25 and 50 mg l(-1). In spite of the reduced growth in the presence of Hg, the plant has phytoremediation potential. It is recommended that parsley should not be cultivated in Hg contaminated sites in order to avoid dietary toxicity.

Carboxymethyl cellulose-based materials as an alternative source for sustainable electrochemical devices: a review.

In electrochemistry, bio-based materials are preferred over the traditional costly and synthetic polymers due to their abundance, versatility, sustainability and low cost. One of the bio-based polymers is carboxymethyl cellulose (CMC) which has become an overarching material in electrochemical devices pertaining to its amphiphilic nature with multi-carbon functional groups. Owing to its flexible framework with fascinating groups on its surface like hydroxide (-OH) and carboxylate (-COO-), CMC is able to be modified into conducting materials by blending it with other biopolymers, synthetic polymers, salts, acids and others. This blending has improved the profile of CMC by exploiting the ability of hydrogen bonding, swelling, adhesiveness and dispersion of charges and ions. These properties of CMC have made it possible to utilize this bio-sourced polymer in several applications as a conducting electrolyte, binder in electrodes, detector, sensor and active material in fuel cells, actuators and triboelectric nanogenerators (TENG). Thus, CMC based materials are cheap, environment friendly, hydrophilic, biodegradable, non-toxic and biocompatible which render it a desirable material in energy storage devices.

In silico prediction of mutation sites for anthranilate synthase from Serratia marcesens to deregulate tryptophan feedback inhibition.

Allosteric feedback inhibition of the committed step in amino acid biosynthetic pathways is a major concern for production of amino acids at industrial scale. Anthranilate synthase (AS) catalyzes the first reaction of tryptophan biosynthetic pathway found in microorganisms and is feedback inhibited by its own product i.e. tryptophan. Here, we identified new mutant sites in AS using computational mutagenesis approach. MD simulations (20 ns) followed by MMPBSA and per residue decomposition energy analysis identified seven amino acid residues with best binding affinity for tryptophan. All 19 mutant structures were generated for each identified amino acid residue followed by simulation to evaluate effect of mutation on protein stability. Later, molecular docking studies were employed to generate mutant-tryptophan complex and structures with binding energies (kcal/mol) much higher than wild-type AS were selected. Finally, two mutants i.e., S37W and S37H were identified on the basis of positive binding scores and loss of tryptophan binding inside pocket. Further, MD simulations run for 200 ns were performed over these mutant-tryptophan complexes followed by RMSD, RMSF, radius of gyration , solvent accessible surface area , intra-protein hydrogen bond numbers, principal component analysis, free energy landscape (FEL) and secondary structure analysis to rationale effect of mutations on stability of protein. Cross correlation analysis of mutant site amino acids (S37W) with key residues of catalytic site (G325, T326, H395 and G482) was done to evaluate the effect of mutations on catalytic site conformation. Current computational mutagenesis approach predicted two mutants S37W and S37H with proposed deregulated feedback inhibition by tryptophan and retained catalytic activity.Communicated by Ramaswamy H. Sarma.

Hydrothermal Synthesis of Fe-Doped Cadmium Oxide Showed Bactericidal Behavior and Highly Efficient Visible Light Photocatalysis.

Cationic dyes present in industrial effluents significantly reduce the effectiveness of remediation operations. Considering the terrible impact of these pollutants on environment and biodiversity, investigating strategies to remove potentially harmful compounds from water is becoming an increasingly intriguing issue. In this work, we employed a simple hydrothermal technique to synthesize Fe-doped CdO (2, 4, and 6 wt %) nanostructures and assessed their efficacy in degrading methylene blue (MB) dye and inhibiting the growth of Staphylococcus aureus and Escherichia coli, respectively. Structural, morphological, and optical characterization of produced nanomaterials was also performed using X-ray diffraction, TEM, and UV absorption spectra. The photocatalytic decomposition of MB was significantly enhanced (58.8%) by using Fe (6 wt %)-doped CdO catalysts for 80 min under irradiation. In addition, 2.05-5.05 mm inhibitory zones were seen against Gram-positive bacteria (S. aureus), whereas the range for Gram-negative bacteria (E. coli) was 1.65-2.75 mm. These nanostructures were shown to be very effective inhibitors of beta-lactamase, d-alanine-d-alanine ligase B, and fatty acid synthase inhibitor by in silico molecular docking investigations.

Bactericidal Action and Industrial Dye Degradation of Graphene Oxide and Polyacrylic Acid-Doped SnO2 Quantum Dots: In Silico Molecular Docking Study.

The present work demonstrates the systematic incorporation of different concentrations of graphene oxide (GO) into a fixed amount of polyacrylic acid (PAA)-doped SnO2 quantum dots (QDs) through a co-precipitation approach. The research aimed to evaluate the catalytic and antibacterial actions of GO/PAA-SnO2 QDs. Moreover, optical properties, surface morphologies, crystal structures, elemental compositions, and d-spacings of prepared QDs were examined. X-ray diffraction patterns revealed the tetragonal configuration of SnO2, and the crystallinity of QDs was suppressed upon dopants verified by the SAED patterns. Electronic spectra identified the blue shift by incorporating GO and PAA led to a reduction in band gap energy. Fourier transform infrared spectra showed the existence of rotational and vibrational modes associated with the functional groups during the synthesis process. A drastic increase in the catalytic efficacy of QDs was observed in the neutral medium by including dopants, indicating that GO/PAA-SnO2 is a promising catalyst. GO/PAA-SnO2 showed strong bactericidal efficacy against Escherichia coli (E. coli) at higher GO concentrations. Molecular docking studies predicted the given nanocomposites, i.e., SnO2, PAA-SnO2, and GO/PAA-SnO2, as potential inhibitors of beta-lactamaseE. coli and DNA gyraseE. coli.

Assessment of catalytic, antimicrobial and molecular docking analysis of starch-grafted polyacrylic acid doped BaO nanostructures.

The removal of cationic dyes from water has received a great attention of researchers considering their influence on environment and ecosystem. In current work, starch-grafted-poly acrylic acid (St-g-PAA) doped BaO nanostrucutures have been synthesized by co-precipitation approach. The aim of this research was to reduce the harmful methylene blue dye and evaluate the antibacterial activity of St-g-PAA doped BaO. XRD spectra exhibited the tetragonal structure of BaO and no variations occurred upon doping. The optical properties of St-g-PAA doped BaO have been evaluated by UV-Vis spectrophotometer. The existence of a dopant in the product was verified using EDS spectroscopy. TEM revealed the formation of cubic-shaped NPs of BaO and upon the addition of St-g-PAA, a few nanorod-like structures. The higher concentration of St-g-PAA doped BaO exhibit a remarkable reduction of methylene blue in a basic environment. Furthermore, St-g-PAA doped BaO revealed higher antimicrobial efficacy against Staphylococcus aureus in comparison to Escherichia coli. In silico studies were conducted against enoyl-[acylcarrier-protein] reductase (FabI) and beta-lactamase enzyme to evaluate the potential of both St-g-PAA and St-g-PAA doped BaO nanocomposites as their inhibitors and to rationalize their possible mode of action.

Chitosan and carbon nitride doped barium hydroxide nanoparticles served as dye degrader and bactericidal potential: A molecular docking study.

Chitosan (CS) and different concentration of graphitic carbon nitride (g-C3N4) (0.02 wt% and 0.04 wt%) doped barium hydroxide (Ba(OH)2) nanoparticles (NPs) were harvested through co-precipitation route. Degradation of the potentially harmful methylene blue (MB) dye and evaluation of the antibacterial potential of the produced CS/g-C3N4-doped Ba(OH)2 NPs were the primary objectives of this study. In addition, the produced NPs were analyzed through structural, optical and morphological techniques to evaluate optical features, phase formation, elemental composition, functional groups presence, surface morphology, crystallinity, and interlayer spacing. The photocatalytic activity was assessed against the degradation of MB by varying pH, whereas Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) pathogens were utilized to determine bactericidal potential in terms of inhibition zone (mm) measured through Vernier caliper. Highly (4 %) CS/g-C3N4-doped Ba(OH)2 NPs explored effective degradation and antibacterial results as 89.39 % in neutral medium and 7.85 mm against E. coli pathogens, respectively. In silico, molecular docking studies against DNA gyrase and ß-lactamase enzyme from both E. coli and S. aureus were performed to rationale mechanism governing the anti-bacterial potential of these synthesized NPs.

Assessment of risk factors and preventive measure compliance against COVID-19 among healthcare workers at tertiary care hospital: a retrospective study.

Introduction: SARS-CoV-2 has created a significant challenge to healthcare systems, since the disease has spread rapidly, outweighing hospital capacity and exposing Health Care Workers (HCWs) to the risk of infection. The main objective of this study shows the HCW's self-reported use of Personal Protective Equipment (PPE), symptoms, and exposure to revealed and suspected people during the pandemic, as well as the implementation of infection prevention and control (IPC) guidelines that effectively limit the spread of the infection among healthcare personnel. Method: A single-center retrospective cohort study has been done at a tertiary care hospital. There were 3,651 hospital employees of these 1,890 HCWs and 1,761 nonclinical staff among those who were proven or suspected COVID-19 cases and had symptoms were included. The data was gathered using a standardized self-assessment questionnaire. Information about quarantine protocol and line listing was collected through telephonic conversations. Result: The majority of the participants were males (66%). The average age was 32.1±7.62. Out of 432 HCWs, 32.9% with positive SARS-CoV-2 PCR findings were nurses, 19.2% were doctors, and 47.9% were non-clinical employees from the hospital's inpatient and outpatient departments. 31.5% had a higher-risk exposure, 64.1% had a moderate-risk exposure, and 4.4% of practitioners with COVID-19 had a lower-risk exposure. A statistically significant association was found between COVID-19 disease and adherence to PPE and risk exposure. Conclusion: This study represents the healthcare workers' experience with COVID-19 patients in the early stages of the pandemic and emphasizes the measures required to overcome the problems, however, this study highlights that HCWs are being progressively infected with COVID-19 as a result of inadequate/ inappropriate PPE wear.

An overview of biomedical applications of choline geranate (CAGE): a major breakthrough in drug delivery.

A number of studies are on the way to advancing the field of biomedical sciences using ionic liquids (ILs) and deep eutectic solvents (DESs) in view of their unique properties and inherent tunability. These significant solvents tend to enhance the physical properties of the drug, increase their bioavailability and promote the delivery of recalcitrant drugs to the body. One such widely investigated tempting multipurpose IL/DES system is choline geranate (CAGE), which has gained significant interest due to its biocompatible and highly potent antiseptic behavior, which also facilitates its sanitizing ability to combat the coronavirus. This review focuses on total advancements in biomedical applications of CAGE. This biocompatible IL/DES has made facile the solubilization of hydrophobic and hydrophilic drugs and delivery of intractable drugs through physiological barriers by stabilizing proteins and nucleic acids. Therefore, it has been used as a transdermal, subcutaneous, and oral delivery carrier and as an antimicrobial agent to treat infectious diseases and wounds as approved by laboratory and clinical translations. Moreover, current challenges and future outlooks are also highlighted to explore them more purposefully.

Tandem high resolution mass spectrometry based phytochemical composition of Sauromatum guttatum tubers and its enzyme inhibitory potential with molecular docking.

Sauromatum guttatum has been traditionally used in the treatment of snakebite and tumors in India, Pakistan, and China. However, it lacks detailed phytochemical composition like other members of the family Araceae. Therefore, the aim of the present study was to investigate the phytochemical composition of crude methanolic extract and subsequent fractions from S. guttatum tubers and to determine their enzyme inhibitory potentials. The phytochemical profile was studied through tandem high-resolution mass-based phytochemical analysis and Global Natural Product Social (GNPS) molecular networking. Similarly, crude extract and fractions were also investigated for enzyme inhibitory activity against urease and α-glucosidase. Twenty-six compounds were dereplicated belonging to flavone C-glycosides, flavone O-glycosides, phenolic acids, phenolic acid glycosides, and iridoid glycosides. The n-butanol fraction was particularly found rich in flavone di-C-glycosides including schaftoside, isoschaftoside, neoschaftoside, and vicenin-2. The n-butanol fraction exhibited the highest in vitro inhibition against urease and α-glucosidase with IC50 values of 113.7 µg/mL and 155.3 µg/mL, respectively. The results of enzyme inhibition potential were also supported by in silico molecular docking studies against the above-mentioned enzymes. This is the first report on the detailed phytochemical profile of S. guttatum tubers, and these results will contribute to the chemosystematic knowledge of the Araceae family. The results of this study also suggest that S. guttatum may find possible applications in the treatment of gastrointestinal disorders and diabetes.

Highly Efficient Industrial Dye Degradation, Bactericidal Properties, and In Silico Molecular Docking Analysis of Ag/Cellulose-Doped CuO Nanostructures.

In this research, CuO nanostructures doped with Ag and cellulose nanocrystals (CNC) were synthesized using a facile coprecipitation technique. In this work, we doped Ag into fixed quantities of CNC and CuO to improve the photocatalytic, catalytic, and antibacterial activity. It was noted that catalytic activity increased upon doping, which was attributed to the formation of nanorods and a pH effect, while the reverse trend was observed in photocatalytic activity. The addition of Ag and CNC dopants into CuO improved the bactericidal efficacy for S. aureus and E. coli. In addition, to obtain insight into the possible mechanism behind their biocidal effects, molecular docking studies were conducted against specific enzyme targets: namely, dihydrofolate reductase from E. coli and DNA gyrase from S. aureus. This study suggested that codoped CuO could be highly efficient in the cleaning of polluted water and antibacterial applications.