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The global emergence of New Delhi metallo-β-lactamase-1 (NDM-1) poses a formidable challenge to antibiotic therapy, as it confers resistance to a wide range of β-lactam antibiotics. This study aims to identify potential inhibitors of NDM-1 and thereby restore the effectiveness of the current antibiotics. Employing a comprehensive computational approach integrating molecular docking and molecular dynamics (MD) simulations, a library of phytosterols was screened to identify promising candidates for inhibiting NDM-1 activity. Using the binding energy of meropenem, a frontline carbapenem antibiotic, as a reference, avenasterol, brassicasterol, and stigmasterol emerged as top phytosterol candidates for further investigation. Subsequent MD simulations confirmed the stability of NDM-1 complexes with avenasterol and stigmasterol over the simulation period, indicating their potential efficacy. These findings suggest that avenasterol and stigmasterol may effectively inhibit NDM-1 activity, warranting validation through in vitro and in vivo studies. Furthermore, these phytosterols hold promise as lead compounds for developing novel NDM-1 inhibitors. Their natural origin and potential inhibitory activity against NDM-1 offer compelling avenues for developing alternative antibacterial therapies to combat multidrug-resistant infections. This study underscores the utility of computational methods in drug discovery and highlights the potential of phytosterols as valuable candidates for addressing antibiotic resistance., (© 2024. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)

The research aims to envisage small molecule inhibitors targeting the C-X-C motif chemokine ligand 10 (CXCL10) of the JAK/STAT pathway. CXCL10 plays a significant role in inducing auto-immunity in vitiligo through JAK/STAT pathway. To accomplish the aim, structure-based virtual screening with fundamental search limits, e.g., molecular weight (MW ≤ 500 Da), hydrogen bond donor (HBD ≤ 5), hydrogen bond acceptor (HBA ≤ 10), and lipophilicity (logP ≤ 5) was used to screen investigational molecules from MCULE database. The SBVS-ligand hits were sifted through toxicity profiling followed by filtration through the Brain or IntestinaL EstimateD-Egg model to check the human intestinal abortion and blood-brain barrier permeation based on two physicochemical properties, including topological surface area and WLOGP. The BOILED-Egg filtered compounds were passed through drug-likeness features other than Pfizer's Lipinski rule of five, viz., Ghose filters, Muegge filters, Egan parameters, and Veber filters, followed by medicinal chemistry's pan assay interference structure and Brenk alert investigation. Chemical compounds that comply with the above ADME descriptors were docked with target protein CXCL10 via AutoDock Vina. The stability of the top two ligand hits was assessed through dynamics simulations of 100 ns and principal component analysis and compared with the reference drugs Baicalein and EGCG. Based on the findings of Gibbs free energy of binding, ADME profiling, medicinal chemistry attributes depiction, root-mean-square deviation, root-mean-square fluctuation, solvent accessible surface area, the free energy of solvation, the radius of gyration, and PCA, MCULE2726078782-0-2 was found better than potential reference drug Baicalein.Communicated by Ramaswamy H. Sarma.

In this research, a highly efficient adsorbent biomaterial (hereinafter, CTS/PPS-HS) of chitosan/functionalized fruit stones (peach and plum) with H 2 SO 4 was produced for the adsorption of brilliant green (BG) dye from aquatic systems. The developed biomaterial was characterized by several techniques like SEM-EDX, FTIR, XRD, BET, and pH pzc . To systematically optimize the adsorption performance of CTS/PPS-HS, the Box-Behnken design (BBD) based on response surface methodology (RSM) was attained. The factors considered for optimization included A: CTS/PPS-HS dosage (0.02-0.08 g), B: pH (4-10), and C: removal time (10-60 min). The pseudo-first-order and Langmuir isotherm models exhibited excellent agreement with the experimental results of BG adsorption by CTS/PPS-HS. The outstanding adsorption capacity (409.63 mg/g) of CTS/PPS-HS was obtained. The remarkable adsorption of BG onto CTS/PPS-HS can be primarily attributed to electrostatic forces between the acidic sites of CTS/PPS-HS and the BG cations, accompanied by interactions such as π-π, Yoshida H-bonding, n-π, and H-bond interactions. The current data underscores the significant potential inherent in combining biomass with CTS polymer to create an exceptionally effective adsorbent biomaterial tailored for the elimination of cationic dyes., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

This study aimed to develop a biocomposite (hereinafter, CHI/OP-H 2 SO 4 ) via the functionalization of chitosan (CHI) biopolymer by chemically modified orange peel (OP-H 2 SO 4 ). The physicochemical characteristics of CHI/OP-H 2 SO 4 were studied using methods such as pH pzc , XRD, FTIR, BET, and FESEM-EDX. The efficacy of the CHI/OP-H 2 SO 4 biocomposite in removing cationic dye (safranin O, SAF-O) from aqueous solutions was assessed. The Box-Behnken Design (BBD) based on response surface methodology (RSM) was employed to optimize the adsorption performance of CHI/OP-H 2 SO 4 , considering factors such as A: CHI/OP-H 2 SO 4 dose (0.02-0.08 g), B: pH (4-10), and C: time (10-60 min). The pseudo-first-order and Freundlich isotherm models align well with the experimental data of SAF-O adsorption by CHI/OP-H 2 SO 4 . The excellent adsorption capacity for CHI/OP-H 2 SO 4 was recorded (321.2 mg/g). The notable adsorption of SAF-O onto CHI/OP-H 2 SO 4 is attributed primarily to electrostatic forces between the acidic groups of CHI/OP-H 2 SO 4 and the SAF-O cation, along with H-bonding, and n-π interactions. By transforming waste materials into valuable resources, this approach not only mitigates environmental impact but also produces a promising and sustainable adsorbent for the removal of cationic dyes, exemplified here by the effective removal of SAF-O dye., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

The protein encoded by the ephrin type-A receptor 2 (EphA2) gene is a member of the ephrin receptor subfamily of the receptor tyrosine kinase family (RTKs). Eph receptors play a significant role in various biological processes, particularly cancer progression, development, and pathogenesis. They have been observed to regulate cancer cell growth, migration, invasion, tumor development, invasiveness, angiogenesis, and metastasis. To target EphA2 activity, various molecular, genetic, biochemical, and pharmacological strategies have been extensively tested in laboratory cultures and animal models. Notably, drugs, such as dasatinib, initially designed to target the kinase family, have demonstrated an additional capability to target EphA2 activity. Additionally, a novel monoclonal antibody named EA5 has emerged as a promising option to counteract the effects of EphA2 overexpression and restore tamoxifen sensitivity in EphA2-transfected MCF-7 cells during in vitro experiments. This antibody mimicked the binding of Ephrin A to EphA2. These methods offer potential avenues for inhibiting EphA2 activity, which could significantly decelerate breast cancer progression and restore sensitivity to certain drugs. This review article comprehensively covers EphA2's involvement in multiple malignancies, including ovarian, colorectal, breast, lung, glioma, and melanoma. Furthermore, we discuss the structure of EphA2, the Eph-Ephrin signaling pathway, various EphA2 inhibitors, and the mechanisms of EphA2 degradation. This article provides an extensive overview of EphA2's vital role in different types of cancers and outlines potential therapeutic approaches to target EphA2, shedding light on the underlying molecular mechanisms that make it an attractive target for cancer treatment., (© 2024. The Author(s), under exclusive licence to Springer Nature B.V.)

The wide range of applications of nanoparticles (NPs) in various industries have led to serious consequences in terms of teratogenic toxicity. The aim of current work was to evaluate the teratogenic effects of copper oxide (CuO) nanoparticles in albino mice.In this experimental study, after mating, inseminated 40 female mice were divided randomly into 4 pools (1 control and 3 experimental), ten each. Doses were administered intravenously (We followed the protocol by Yaqub et al. (2018), intravenous application is faster route as compared to oral dosage)to all the experimental groups on the 6th day of gestation (GD), dose concentrations were 200, 133.3 and 100 mg/kg body weights respectively.The doses were prepared in sequence (1/2, 1/3, 1/4 0f LD50) according to already published work. The effects of CuO-NPs show linear relationship with the above sequence. The control group was administered only with distilled water.The gravid females were sacrificed through cervical disruption at the 18th day of gestation, fetuses were removed and divided into four sets (pools) for morphometric, morphological and histological studies. Data were subjected to statistical analysis by using Tukey's test in light of ANOVA at p < 0.05 level of significance. Findings of the present study showed that CuO-NPs various concentrations affect developmental abnormalities i.e.runt embryos, resorbed uteri, exencephaly, hygroma, macroglossia, micromelia, open eye, omphalocoel, scoliosis, kyphosis and kinked tail. It is concluded that exposure to CuO-NPs may potentially lead to the developmental deformities in mice., Competing Interests: Declaration of competing interest The authors declare that they have no competing interests., (Copyright © 2023 Elsevier Ltd. All rights reserved.)

The spread of drug-resistant strains of tuberculosis has hampered efforts to control the disease worldwide. The Mycobacterium tuberculosis cell wall envelope is dynamic, with complex features that protect it from the host immunological response. As a result, the bacterial cell wall components represent a potential target for drug discovery. Protein-protein interaction networks (PPIN) are critical for understanding disease conditions and identifying precise therapeutic targets. We used a rational theoretical approach by constructing a PPIN with the proteins involved in cell wall biosynthesis. The PPIN was constructed through the STRING database and embB was identified as a key protein by using four topological measures, betweenness, closeness, degree, and eigenvector, in the CytoNCA tool in Cytoscape. The 'Drug repurposing' approach was employed to find suitable inhibitors against embB. We used the Schrödinger suites for molecular docking, molecular dynamics simulation, and binding free energy calculations to validate the binding of protein with the ligand. FDA-approved drugs from the ZINC database and DrugBank were screened against embB (PDB ID: 7BVF) using high-throughput virtual screening, standard precision, and extra precision docking. The drugs were screened based on the XP docking score of the standard drug ethambutol. Accordingly, from the top five hits, azilsartan and dihydroergotamine were selected based on the binding free energy values and were further subjected to Molecular Dynamics Simulation studies for 100 ns. Our study confirms that Azilsartan and Dihydroergotamine form stable complexes with embB and can be used as potential lead molecules based on further in vitro and in vivo experimental validation.Communicated by Ramaswamy H. Sarma.

1-Cys peroxiredoxin6 (Prdx6) is unique and inducible bifunctional enzyme in the mammalian lungs and plays a role in the progression and inhibition of cancerous cells at different stages. The enzyme possesses two distinct active sites for phospholipase A2 and peroxidase activity. The conserved residues surrounding the peroxidase active site, also called as second shell residues are Glu50, Leu71, Ser72, His79 and Arg155. Since there is no study done about the active site stabilization of the transition state of Prdx6, there are a lot of questions unanswered regarding the Prdx6 peroxidase activity. In order to evaluate the role of second shell conserved residue Glu50, present in close vicinity to peroxidatic active site, we substituted this negatively charged residue with Alanine and Lysine. To explore the effect of mutation on the biophysical parameters, the mutant proteins were compared with Wild-Type by using biochemical, biophysical, and in silico methods. Comparative spectroscopic methods and enzyme activity demonstrate that the Glu50 plays a significant role in maintaining the structure, stability, and function of protein. From the results we conclude that Glu50 significantly controls the structure; stability and may be involved in the active site stabilization of transition state for proper position of diverse peroxides., Competing Interests: Declaration of competing interest The Authors declare no conflict of interest., (Copyright © 2023. Published by Elsevier B.V.)

In this research work, we aim to study the effect of the incorporation of vegetable fiber reinforcement on the thermo-mechanical and dynamic properties of a composite formed by a polymeric matrix reinforced with cellulosic fibers with the various Washingtonia fiber (WF) loadings (0%, 10%, 20%, and 30% by wt%) as reinforced material in high-density polyethylene (HDPE) Biocomposites to evaluate the optimum fiber loading of biocomposites. In addition, several characterization techniques (i.e., thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA), and thermal mechanical analysis (TMA)) were used to better understand the characteristics of the new composites prepared. With these techniques, we managed to verify the rigidity and thermal stability of the composites so elaborated, as well as the success of the polymer and the structural homogeneity of the obtained biocomposites. Hence, the biocomposite with the best ratio (HDPE/20WF) showed a loss modulus (E″) of 224 MPa, a storage modulus (E') of 2079 MPa, and a damping factor (Tanδ) of 0.270 to the glass transition (Tg) of 145 °C. In addition, thermomechanical analysis (TMA) of the biocomposite samples exhibited marginally higher Ts compared to the HDPE matrix. The best results were recorded with biocomposites with 20% WF, which showed better thermal properties. This composite material can be used as insulation in construction materials (buildings, false ceilings, walls, etc.).

A designer of sustainable biocomposite structures and natural ropes needs to have a high confidence interval (95% CI) for mechanical characteristics data of performance materials, yet qualities for plant-based fibers are very diverse. A comprehensive study of the elements that enhance the performance of biocomposites or sustainable ropes created from vegetable fibers is necessary. The current study included five groups with varying numbers (N) of tests of 20, 40, 60, 80, and 100 on the mechanical characteristics at room temperatures. The purpose of this study was to determine how changing N affects the mechanical properties of sisal yarn. These properties include its strength, Young's modulus, and deformation at rupture. A significance testing program including more than 100 tests was performed. Owing to the heterogeneity of the plant yarn, each group received more than 20 samples at a gauge length (GL) of 100 mm. The tensile strength characteristics of sisal yarns produced a wide range of findings, as is common for natural fibers, necessitating a statistical analysis. Its dispersion was explored and measured using the statistical methods. The Weibull distribution with two parameters and a prediction model with a 95% confidence level for maximum likelihood (ML) and least squares (LS) were used to investigate and quantify its dispersion.

Objectives: The COVID-19 pandemic has negatively affected children's lifestyle behaviours and mental health and wellbeing, and concerns have been raised that COVID-19 has also increased health inequalities. No study to date has quantified the impact of COVID-19 on health inequalities among children. We compared pre-pandemic vs. post-lockdown inequalities in lifestyle behaviours and mental health and wellbeing among children living in rural and remote northern communities., Methods: We surveyed 473 grade 4-6 students (9-12 years of age) from 11 schools in rural and remote communities in northern Canada in 2018 (pre-pandemic), and 443 grade 4-6 students from the same schools in 2020 (post-lockdown). The surveys included questions on sedentary behaviours, physical activity, dietary intake, and mental health and wellbeing. We measured inequality in these behaviors using the Gini coefficient, a unitless measure ranging from 0 to 1 with a higher value indicating greater inequality. We used temporal changes (2020 vs. 2018) in Gini coefficients to assess the impact of COVID-19 on inequalities in lifestyle behaviours and mental health and wellbeing separately among girls and boys., Results: Inequalities in all examined lifestyle behaviours increased between 2018 and 2020. Inequalities in watching TV, playing video games, and using a cell phone increased among girls, while inequalities in playing video games, using computers and tablets, and consumption of sugar, salt, saturated fat and total fat increased among boys. Changes in inequalities in mental health and wellbeing were small and not statistically significant., Conclusion: The findings suggest that the COVID-19 pandemic has exacerbated inequalities in lifestyle behaviours among children living in rural and remote northern communities. If not addressed, these differences may translate into exacerbated inequalities in future health. The findings further suggest that school health programs can help mitigate the negative impact of the pandemic on lifestyle behaviours and mental health and wellbeing., Competing Interests: The authors have no real or perceived conflicts of interest relevant to this article to disclose., (© 2023 The Authors.)

Fiber-reinforced plastic composites are sensitive to holes, as they cut the main load-carrying member in the composite (fibers) and they induce out-of-plane stresses. In this study, we demonstrated notch sensitivity enhancement in a hybrid carbon/epoxy (CFRP) composite with a Kevlar core sandwich compared to monotonic CFRP and Kevlar composites. Open-hole tensile samples were cut using waterjet cutting at different width to diameter ratios and tested under tensile loading. We performed an open-hole tension (OHT) test to characterize the notch sensitivity of the composites via the comparison of the open-hole tensile strength and strain as well as the damage propagation (as monitored via CT scan). The results showed that hybrid laminate has lower notch sensitivity than CFRP and KFRP laminates because the strength reduction rate with hole size was lower. Moreover, this laminate showed no reduction in the failure strain by increasing the hole size up to 12 mm. At w/d = 6, the lowest drop in strength showed by the hybrid laminate was 65.4%, followed by the CFRP and KFRP laminates with 63.5% and 56.1%, respectively. For the specific strength, the hybrid laminate showed a 7% and 9% higher value as compared with CFRP and KFRP laminates, respectively. The enhancement in notch sensitivity was due to its progressive damage mode, which was initiated via delamination at the Kevlar-carbon interface, followed by matrix cracking and fiber breakage in the core layers. Finally, matrix cracking and fiber breakage occurred in the CFRP face sheet layers. The specific strength (normalized strength and strain to density) and strain were larger for the hybrid than the CFRP and KFRP laminates due to the lower density of Kevlar fibers and the progressive damage modes which delayed the final failure of the hybrid composite.

Background: Facebook addiction (FA) has been suggested as a potential behavioral addiction. There is a severe lack of research evidence regarding the Facebook addiction behavior among university students during the ongoing COVID-19 pandemic. The aim of this study was to determine factors associated with Facebook addiction among Bangladeshi university students., Methods: A cross-sectional online survey was conducted among 2,161 Bangladeshi university students during the COVID-19 pandemic from June 2021 to September 2021. A well fitted regression model in R programming language was used for this study., Results: Female respondents and those whose family monthly income was <25,000 BDT were more addicted to Facebook than other respondents. Respondents who lost a family member or a relative to COVID-19, engaged in physical activities (exercise) during the pandemic, used Facebook for work purposes or used Facebook to relieve daily stress were more addicted to Facebook., Conclusion: Overuse of social media is problematic as it can trigger several mental health symptoms, especially among students. Adequate and effective interventions are required to educate students about the dangers of Facebook addiction and to provide an alternative, healthy options., Competing Interests: no conflicts of interest associated with this publication.

Introduction: Northern communities in Canada experience a disproportionate burden of chronic diseases including mental illness. To mitigate the growing health inequalities, an ongoing Comprehensive School Health program promoting healthy lifestyle behaviours and mental health and well-being was expanded to rural and remote northern communities. We report on the program's impact on knowledge, attitudes, lifestyle behaviours (healthy eating, physical activity, screen time), weight status and the mental health and well-being of elementary school students during the first four years of implementation., Methods: Following a repeated cross-sectional design, we surveyed 440, 352 and 384 Grade 4 to 6 students (9-12 years old) from eight schools in 2016, 2018 and 2020/21, respectively. Students were approximately equally represented by girls and boys., Results: Between 2016 and 2018, students reported modest increases in vegetable and fruit consumption and dietary variety; declines in screen time; no changes in physical activity; and declines in attitudes toward healthy lifestyle and in mental health and well-being. Between 2018 and 2020/21, lifestyle behaviours deteriorated substantially, while attitudes and mental health and well-being continued to decline., Conclusion: A program that was successful in socioeconomically disadvantaged urban neighbourhoods had a favourable, though modest, impact on selected lifestyle behaviours, but not on attitudes and mental health and well-being, in rural and remote northern communities. In light of cultural differences and logistical challenges in Canada's North, systematic and proactive adaptations to local contexts, increased intensity, and longer program delivery are essential to facilitate sustainable improvements in lifestyle behaviours and mental health and well-being., Competing Interests: The authors have no real or perceived conflicts of interest relevant to this article to disclose.

The kinesin family member C1 (KIFC1) is an essential protein that facilitates the bipolar division of neoplastic cells. Inhibiting KIFC1 by small molecules is a lucrative strategy to impede bipolar mitosis leading to the apoptosis of cancerous cells. The research aims to envisage small-molecule inhibitors targeting KIFC1. The Mcule database, a comprehensive online digital platform containing more than five million chemical compounds, was used for structure-based virtual screening (SBVS). Druglikeness filtration sifted 2,293,282 chemical hits that further narrowed down to 49 molecules after toxicity profiling. Finally, 39 compounds that comply with the BOILED-Egg permeation predictive model of the ADME rules were carried forward for multiscoring docking using the AutoDock Vina inbuilt to Mcule drug discovery platform, DockThor and SwissDock tools. The mean of ΔG terms produced by docking tools was computed to find consensus top ligand hits. AZ82 exhibited stronger binding (Consensus ΔG: -7.99 kcal mol -1 ) with KIFC1 among reference inhibitors, for example, CW069 (-7.57 kcal mol -1 ) and SR31527 (-7.01 kcal mol -1 ). Ten ligand hits namely, Mcule-4895338547 (Consensus ΔG: -8.69 kcal mol -1 ), Mcule-7035674888 (-8.42 kcal mol -1 ), Mcule-5531166845 (-8.53 kcal mol -1 ), Mcule-3248415882 (-8.55 kcal mol -1 ), Mcule-291881733 (-8.41 kcal mol -1 ), Mcule-5918624394 (-8.44), Mcule-3470115427 (-8.47), Mcule-3686193135 (-8.18 kcal mol -1 ), Mcule-3955355291 (8.09 kcal mol -1 ) and Mcule-9534899193 (-8.01 kcal mol -1 ) depicted strong binding interactions with KIFC1 in comparison to potential reference inhibitor AZ82. The top four ligands and AZ82 were considered for molecular dynamics simulation of 50 ns duration. Toxicity profiling, physicochemical properties, lipophilicity, solubility, pharmacokinetics, druglikeness, medicinal chemistry attributes, average potential energy, RMSD, RMSF, SASA, ΔGsolv and Rg analyses forecast the ligand mcule-4895338547 as a promising inhibitor of KIFC1., (© 2022 John Wiley & Sons Ltd.)

Various spectroscopic techniques involving fluorescence spectroscopy, circular dichroism (CD), and computational approaches were used to elucidate the molecular aspects of interaction between the antiepileptic drug topiramate and the multifunctional transport protein bovine serum albumin (BSA) under physiological conditions. Topiramate quenched BSA fluorescence in a static quenching mode, according to the Stern-Volmer quenching constant (K sv ) data derived from fluorescence spectroscopy for the topiramate-BSA complex. The binding constant was also used to calculate the binding affinity for the topiramate-BSA interaction. Fluorescence and circular dichroism experiments demonstrate that the protein's tertiary structure is affected by the microenvironmental alterations generated by topiramate binding to BSA. To establish the exact binding site, interacting residues, and interaction forces involved in the binding of topiramate to BSA, molecular modeling and simulation approaches were used. According to the Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) calculations, the average binding energy between topiramate and BSA is -421.05 kJ/mol. Topiramate was discovered to have substantial interactions with BSA, changing the structural dynamic and Gibbs free energy landscape patterns., (© 2022 John Wiley & Sons Ltd.)

This study is focused on the kinetics and adsorption isotherms of amine-functionalized magnesium ferrite (MgFe 2 O 4 ) for treating the heavy metals in wastewater. A sol-gel route was adopted to produce MgFe 2 O 4 nanoparticles. The surfaces of the MgFe 2 O 4 nanoparticles were functionalized using primary amine (ethanolamine). The surface morphology, phase formation, and functionality of the MgFe 2 O 4 nano-adsorbents were studied using the SEM, UV-visible, FTIR, and TGA techniques. The characterized nanoparticles were tested on their ability to adsorb the Pb 2+ , Cu 2+ , and Zn 2+ ions from the wastewater. The kinetic parameters and adsorption isotherms for the adsorption of the metal ions by the amine-functionalized MgFe 2 O 4 were obtained using the pseudo-first-order, pseudo-second-order, Langmuir, and Freundlich models. The pseudo-second order and Langmuir models best described the adsorption kinetics and isotherms, implying strong chemisorption via the formation of coordinative bonds between the amine groups and metal ions. The Langmuir equation revealed the highest adsorption capacity of 0.7 mmol/g for the amine-functionalized MgFe 2 O 4 nano-adsorbents. The adsorption capacity of the nanoadsorbent also changed with the calcination temperature. The MgFe 2 O 4 sample, calcined at 500 °C, removed the most of the Pb 2+ (73%), Cu 2+ (59%), and Zn 2+ (62%) ions from the water.

Nanoparticles have numerous applications related to human uses. Titanium dioxide nanoparticles (TiO 2 -NPs) are extensively used in many daily utilities. The small size particles and larger uses in the industry have led them to become a threatening entity to the living organisms. The unchecked use and dumping in the environment poses a significant toxicological risk to the developing mammalian embryo. The present study was conducted to determine the developmental toxicity and teratogenic effects of TiO 2 -NPs in murine embryos. The TiO 2 -NPs were introduced intravenously into pregnant mice graded as T1 (0.52 mg/g BW), T2 (0.7 mg/g BW), and T3 (1.05 mg/g BW) along with control with no dose administration T0 (0.00 mg/g BW). Results recorded after 14 days were resorbed fetuses, dropped wrist, hemorrhages, sacral hygromas, and kinked tails. It was concluded that the exposure of TiO 2 -NPs in mentioned doses from any source may lead to deleterious effects on the development of an embryo., (© 2021. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Owing to the ability of catalase to function under oxidative stress vis-à-vis its industrial importance, the structure-function integrity of the enzyme is of prime concern. In the present study, polyols (glycerol, sorbitol, sucrose, xylitol), were evaluated for their ability to modulate structure, activity and aggregation of catalase using in vitro and in silico approaches. All polyols were found to increase catalase activity by decreasing K m and increasing V max resulting in enhanced catalytic efficiency (k cat /K m ) of the enzyme. Glycerol was found to be the most efficient polyol with a k cat /K m increase from 4.38 × 10 4  mM -1  S -1 (control) to 5.8 × 10 5  mM -1  S -1 . Correlatively with this, enhanced secondary structure with reduced hydrophobic exposure was observed in all polyols. Furthermore, increased stability, with an increase in melting temperature by 15.2 °C, and almost no aggregation was observed in glycerol. Overall, ability to regulate structure-function integrity and aggregation propensity was highest for glycerol and lowest for xylitol. Simulation studies were performed involving structural dynamics measurement, principal component analysis and free energy landscape analysis. Altogether, all polyols were stabilizing in nature and glycerol, in particular, has potential to efficiently prevent not only the aggregation of the antioxidant defense system but might also serve as a stability aid during industrial processing of catalase., (Copyright © 2022 Elsevier B.V. All rights reserved.)

Production of transgenic plants with desired agronomic and horticultural traits has gained great importance to fulfill demands of the growing population. Genetic transformation is also a fundamental step to study basics of plant sciences. Different transformation protocols have been developed and used which are reliable and efficient. These protocols used antibiotic or herbicide resistance genes incorporated along with gene of interest to identify transformed plants from non-transformed ones. These marker genes may pose a threat to human and environment. Use of visual markers enables direct and easier observation of transformed plants with more precision. In current study a gene cassette with 'pigment production hydroxylase (PPH) gene under fiber specific promoter (GhSCFP) and downstream Nos-terminator was designed. After checking the structural and functional efficiency of codon optimized gene using bioinformatics tools, the cassette was sent for chemical synthesis from commercial source. The pigment gene cassette (PPH&#95;CEMB), cloned in pCAMBIA-1301, was transformed into Agrobacterium through electroporation. Agrobacterium-mediated floral dip method was used to transform Camelina sativa inflorescence. After seed setting a total of 600 seed were observed for change in color and out of these, 19 seeds developed a reddish-brown coloration, while the remaining 581 seeds remained yellow. The transformation efficiency calculated on basis of color change was 1.0%. PCR analysis of leaves obtained after sowing reddish seeds confirmed the transformation of pigment production gene, while no PCR amplification was observed in leaves of plants from wild type seeds. From the results it is evident that Agrobacterium-mediated transformation of C. sativa inflorescence is very efficient and environment friendly technique not only for detection of transformed plants but also to study basic cellular processes.

AISI 316L stainless steel (SS) is one of the extensively used biomaterials to produce implants and medical devices. It provides a low-cost solution with ample mechanical properties, corrosion resistance, and biocompatibility compared to its counterpart materials. However, the implants made of this material are subjected to a short life span in human physiological conditions leading to the leaching of metal ions, thus limiting its use as a biomaterial. In this research, the addition of boron, titanium, and niobium with varying concentrations in the SS matrix has been explored. This paper explores the impact of material composition on modified SS alloy's physical and mechanical properties. The study's outcomes specify that the microhardness increases for all the alloy compositions, with a maximum increase of 64.68% for the 2 wt.% niobium added SS alloy. On the other hand, the tensile strength decreased to 297.40 MPa for the alloy containing 0.25 wt.% boron and 2 wt.% titanium additions compared to a tensile strength of 572.50 MPa for pure SS. The compression strength increased from 776 MPa for pure SS to 1408 MPa for the alloy containing niobium and titanium additions in equal concentrations.

The optical properties and electric field enhancement of gold nanorods for different cases were investigated in this study. The numerical analysis was carried out to understand the functionality and working of gold nanorods, while the experimental portion of the work was focused on the efficiency of gold nanorods for targeted drug delivery. COMSOL Multiphysics was used for numerical analysis. The theoretical results suggest the use of gold nanorods (AuNRs) for anticancer applications. The resonance peaks for gold nanorods of 10 nm diameter were observed at 560 nm. The resonance peaks shifted towards longer wavelengths with an increase in nanorod size. The resonance peaks showed a shift of 140 nm with a change in nanorod length from 25 to 45 nm. On the experimental side, 22 nm, 35 nm and 47 nm long gold nanorods were produced using the seed-mediated growth method. The surface morphology of the nanorods, as well as their optical characteristics, were characterized. Later, gold nanorods were applied to the targeted delivery of the doxorubicin drug. Gold nanorods showed better efficiency for doxorubicin drug loading time, release time, loading temperature, and release temperature. These results reveal that AuNRs@DA possess good ability to load and deliver the drug directly to the tumorous cells since these cells show high temperature and acidity.

The research aims to identify the inhibitory potential of natural dietary phytochemicals against non-insulinotropic target protein alpha-glucosidase and its possible implications to diabetes mellitus type 2. A data set of sixteen plant-derived dietary molecules viz., 4,5-dimethyl-3-hydroxy-2(5H)-furanone, apigenin, bromelain, caffeic acid, cholecalciferol, dihydrokaempferol 7-o-glucopyranoside, galactomannan, genkwanin, isoimperatorin, luteolin, luteolin 7-o-glucoside, neohesperidin, oleanoic acid, pelargonidin-3-rutinoside, quercetin, and quinic acid were taken to accomplish molecular docking succeeded by their comparison with known inhibitors including acarbose, miglitol, voglibose, emiglitate, and 1-deoxynojirimycin. Among all phyto-compounds, bromelain (ΔG: -9.54 kcal/mol), cholecalciferol (-8.47 kcal/mol), luteolin (-9.02 kcal/mol), and neohesperidin (-8.53 kcal/mol) demonstrated better binding interactions with alpha-glucosidase in comparison to the best-known inhibitor, acarbose (ΔG: -7.93 kcal/mol). Molecular dynamics simulation of 10 ns duration, CYP450 site of metabolism identification, and prediction of activity spectra for substances depicted the bromelain as the most stable inhibitor compared to luteolin and acarbose. Findings of molecular interactions, molecular dynamics study, metabolism, and biological activity prediction proved bromelain as a potential alpha-glucosidase inhibitor. Thus, bromelain might be helpful as an insulin-independent therapeutic molecule towards controlling and managing diabetes mellitus type 2.

Background: The COVID-19 outbreak spillovers mental health burden where suicide is a common psychological public health issue that affects people all over the world. This study aimed to explore the factors associated with suicidal behavior among university students in Bangladesh after one year of the COVID-19 outbreak., Methods: An online cross-sectional survey was conducted among 2100 Bangladeshi university students aged ≥18 years from April 29 to May 15, 2021. The survey questionnaire contained socio-demographic information, COVID-19 related physical and psychosocial factors (CRPPF), preventive response to psychological stress, and the Suicidal Behaviors Questionnaire-Revised (SBQ-R) scale. Descriptive statistics along with logistic regression were performed for statistical analysis., Results: About 47.90% of the students were at risk of suicidal behavior, and female students were very likely to be at risk of suicidal behavior than their male counterparts (AOR = 2.28; 95% CI: 1.86 to 2.81). Keeping distance from friends or family (AOR = 1.66; 95% CI: 1.34 to 2.04), having relationship problems (AOR = 2.20; 95% CI: 1.79 to 2.70), feeling own selves as burden to families (AOR = 2.50; 95% CI: 2.02 to 3.11), and being stressed of lockdown (AOR = 1.56; 95% CI: 1.19 to 2.03) were highlighted as some of the significant factors associated with increased risk of suicidal behavior., Conclusion: University students were exposed to several factors that impose the risk of developing suicidal behavior. Concerned authorities should design & implement appropriate strategies for ensuring suicidal prevention besides their mental well-being., Competing Interests: The authors declare no conflict of interest., (© 2022 The Author(s).)

Objectives: The closure of schools to prevent the spread of COVID-19 prompted concerns of deteriorating lifestyle behaviours, mental health, and wellbeing of children, particularly those in socioeconomically disadvantaged settings. We assessed changes in lifestyle behaviours (physical activity, screen time, eating habits and bed/wake-up times), mental health and wellbeing during the first lockdown in Spring 2020 as perceived by school children from disadvantaged settings, and examined determinants of these changes., Study Design: Cross-sectional study., Methods: We surveyed 1095 grade 4 to 6 students (age 9-12 years) from 20 schools in socioeconomically disadvantaged communities in northern Canada. Students reported on changes in lifestyle behaviours, mental health and wellbeing during the lockdown. Determinants of these perceived changes were examined in multivariable regression models., Results: A majority of students reported declines in physical activity, having late bed/wake-up times, and modest improvements in mental health and wellbeing. Many students reported increases rather than decreases in screen time and snacking. Positive attitudes toward being active, eating healthy, going to sleep on time and being healthy were strongly associated with maintaining healthy lifestyle behaviours during the lockdown. Positive attitudes toward active and healthy living and healthy lifestyle behaviours were associated with maintaining positive mental health and wellbeing during the lockdown., Conclusions: The considerable changes in lifestyle behaviors, superimposed on the pre-existing burden of unhealthy lifestyle behaviours, put this generation of children at increased risk for future chronic disease. Findings call for effective health promotion of active and healthy lifestyles to benefit both physical and mental health., (Copyright © 2021 The Authors. Published by Elsevier Ltd.. All rights reserved.)

Aims: The present study aimed to search for novel potent inhibitor(s) against the recently discovered maltosyltransferase (GlgE) target of M.tb., Background: GlgE belongs to an α-amylase family and catalyzes the elongation of cytosolic branched α-glucan. Inactivation of M.tb. GlgE results in DNA damage and rapid death of M.tb. due to the accumulation of a toxic altosyl donor, maltose-1-phosphate (M1P), suggesting that GlgE is an intriguing target for inhibitor design., Methods: 1000 natural compounds were compiled from public databases and literature through virtual screening, of which 25 compounds were found to satisfy all drug-likeness properties and ADME/ toxicity criteria, followed by molecular docking with GlgE. Compound(s) showing the lowest binding energy was further subjected to molecular dynamics simulation (MDS) and in vitro analysis., Results: Molecular docking analysis allowed the selection of 5 compounds withsignificant binding affinity to GlgE targets. Amongst these compounds, asiatic acid exhibited the lowest binding energy (-12.61 kcal/mol). The results of 20-ns MDS showed that asiatic acid formed a stable complex with GlgE. Additionally, asiatic acid exhibited in vitro anti-mycobacterial activity against M.tb. H37Ra, M. bovis BCG, and M. smegmatis strains., Conclusion: The study reveals asiatic acid as a promising anti-mycobacterial agent that might emerge as a novel natural anti-TB lead molecule in the future., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

The release of phenolic-contaminated treated palm oil mill effluent (TPOME) poses a severe threat to human and environmental health. In this work, manganese-modified black TiO 2 (Mn-B-TiO 2 ) was produced for the photodegradation of high concentrations of total phenolic compounds from TPOME. A modified glycerol-assisted technique was used to synthesize visible-light-sensitive black TiO 2 nanoparticles (NPs), which were then calcined at 300 °C for 60 min for conversion to anatase crystalline phase. The black TiO 2 was further modified with manganese by utilizing a wet impregnation technique. Visible light absorption, charge carrier separation, and electron-hole pair recombination suppression were all improved when the band structure of TiO 2 was tuned by producing Ti 3+ defect states. As a result of the enhanced optical and electrical characteristics of black TiO 2 NPs, phenolic compounds were removed from TPOME at a rate of 48.17%, which is 2.6 times higher than P25 (18%). When Mn was added to black TiO 2 NPs, the Ti ion in the TiO 2 lattice was replaced by Mn, causing a large redshift of the optical absorption edges and enhanced photodegradation of phenolic compounds from TPOME. The photodegradation efficiency of phenolic compounds by Mn-B-TiO 2 improved to 60.12% from 48.17% at 0.3 wt% Mn doping concentration. The removal efficiency of phenolic compounds from TPOME diminished when Mn doping exceeded the optimum threshold (0.3 wt%). According to the findings, Mn-modified black TiO 2 NPs are the most effective, as they combine the advantages of both black TiO 2 and Mn doping.

Background: The coronavirus disease 2019 (COVID-19) pandemic has adversely affected the sleep quality of individuals, and is a poorly investigated area. This study aimed to investigate the prevalence estimate of poor sleep quality and its associated factors among Bangladeshi residents during the COVID-19 pandemic. Methods: An online cross-sectional survey was carried out from July 20 to August 5, 2020, involving 975 Bangladeshi residents (male: 54.2%; mean age: 26.7 ± 9.4 years; age range: 18-75 years). A self-reported questionnaire was answered by the respondents, covering information on demographic characteristics, perceived physical health status, COVID-19-related factors, COVID-19-induced anxiety assessment, and sleep quality. To assess sleep quality, the Bangla version of the Pittsburgh Sleep Quality Index was used. Logistic regression models were performed to analyze the factors associated with sleep quality. Results: The prevalence estimate of poor sleep quality was 55.1% among the Bangladeshi people during the COVID-19 pandemic. As per the multiple regression analysis, poor sleep quality was significantly higher among respondents who reported female gender, moderate/poor health status, indirect contact with COVID-19 infected patients, decreased household income due to the COVID-19 pandemic, fear of infection, and COVID-19-induced anxiety. Conclusion: Poor sleep quality was slightly prevalent among general people in Bangladesh during the COVID-19 pandemic. The findings indicate an immediate response for this vulnerable group to improve the sleep quality during the public health emergency of COVID-19., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2021 Islam, Rahman, Zubayer, Bhuiyan, Khan, Hossain and Sujon.)

We have evaluated the effects of different fish feeds on the body composition, growth, and enzyme activities of Labeo rohita (Rohu). In total, 240 fishes between the average weights of 24.77±2.15g were studied. The treatments were applied in a completely randomized design, with 4 treatments of 60 fishes each. Treatments consisted of four different fish feeds [Oryza (T1), AMG (T2), Aqua (T3), and Supreme (T4)]. Body composition, growth performance, and enzyme activities were evaluated. There was a significant variation in performance of fishes fed with different type of feed; as fishes having Oryza feed showed the highest weight gain, specific growth rate (SGR), and best feed conversion ratio (FCR) as compared to other groups that were considered to be significant (P ≤ 0.05). High net weight gain was obtained in T4 when compared with T2 and T3. FCR value of T4 was less than T1 but higher than T2, T3 and T2, which showed the lowest values. The specific growth rate was recorded as average in T4, but T2 led a high SGR than T3. Similarly, crude protein level and digestive enzymes activity was recorded significantly highest in fed with Oryza (T1) as compared to AMG (T2), Aqua (T3), and Supreme (T4). Water quality parameters were recorded significant in all treatments except pH and DO of treatment (T1), significantly different from other treatments. It was concluded that Rohu (Labeo rohita) could show a promising growth rate and protease enzyme activity when fed with the Oryza feed of 25% protein.

Novel coronavirus (nCoV) namely "SARS-CoV-2" is being found responsible for current PANDEMIC commenced from Wuhan (China) since December 2019 and has been described with epidemiological linkage to China in about 221 countries and territories until now. In this study we have characterized the genetic lineage of SARS-CoV-2 and report the recombination within the genus and subgenus of coronaviruses. Phylogenetic relationship of thirty nine coronaviruses belonging to its four genera and five subgenera was analyzed by using the Neighbor-joining method using MEGA 6.0. Phylogenetic trees of full length genome, various proteins (spike, envelope, membrane and nucleocapsid) nucleotide sequences were constructed separately. Putative recombination was probed via RDP4. Our analysis describes that the "SARS-CoV-2" although shows great similarity to Bat-SARS-CoVs sequences through whole genome (giving sequence similarity 89%), exhibits conflicting grouping with the Bat-SARS-like coronavirus sequences (MG772933 and MG772934). Furthermore, seven recombination events were observed in SARS-CoV-2 (NC&#95;045512) by RDP4. But not a single recombination event fulfills the high level of certainty. Recombination mostly housed in spike protein genes than rest of the genome indicating breakpoint cluster arises beyond the 95% and 99% breakpoint density intervals. Genetic similarity levels observed among "SARS-CoV-2" and Bat-SARS-CoVs advocated that the latter did not exhibit the specific variant that cause outbreak in humans, proposing a suggestion that "SARS-CoV-2" has originated possibly from bats. These genomic features and their probable association with virus characteristics along with virulence in humans require further consideration.

Objectives: Children's mental health and wellbeing declined during the first COVID-19 lockdown (Spring 2020), particularly among those from disadvantaged settings. We compared mental health and wellbeing of school-aged children observed pre-pandemic in 2018 and after the first lockdown was lifted and schools reopened in Fall 2020. Methods: In 2018, we surveyed 476 grade 4-6 students (9-12 years old) from 11 schools in socioeconomically disadvantaged communities in Northern Canada that participate in a school-based health promotion program targeting healthy lifestyle behaviours and mental wellbeing. In November-December 2020, we surveyed 467 grade 4-6 students in the same schools. The 12 questions in the mental health and wellbeing domain were grouped based on correlation and examined using multivariable logistic regression. Results: There were no notable changes pre-pandemic vs. post-lockdown in responses to each of the 12 questions or any of the sub-groupings. Conclusion: Supporting schools to implement health promotion programs may help mitigate the impact of the pandemic on children's mental health and wellbeing. The findings align with recent calls for schools to remain open as long as possible during the pandemic response., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2021 Dabravolskaj, Khan, Veugelers and Maximova.)

Unavailability of probiotics in fish digestive system fingerlings is unable to digest and absorb their food properly. The current research was conducted to investigate the influence of probiotics added Linseed meal based (LMB) diet on hematology and carcass composition of Labeo rohita juveniles. Hematological parameters are essential diagnostics used to estimate the health status of fish. The usage of probiotics for fish health improvement is becoming common due to the higher demand for environment-friendly culture system in water. Linseed meal was used as a test ingredient to prepare six experimental test diets by adding probiotics (0, 1, 2, 3, 4 and 5 g/kg) and 1% indigestible chromic oxide for seventy days. According to their live wet weight, five percent feed was given to fingerlings twice a day. Fish blood and carcass samples (Whole body) were taken for hematological and carcass analysis at the end of the experiment. The highest carcass composition (crude protein; 18.72%, crude fat; 8.80% and gross energy; 2.31 kcal/g) was observed in fish fed with test diet II supplemented with probiotics (2 g/kg). Moreover, maximum RBCs number (2.62× 106mm-3), WBCs (7.84×103mm-3), PCV (24.61), platelets (63.85) and hemoglobin (7.87) had also been reported in the fish fingerlings fed on 2 g/kg of probiotics supplemented diet. Results indicated that probiotics supplementation has a critical role in improvement of fingerlings' body composition and hematological indices. Present findings showed that probiotics supplementation at 2 g/kg level in linseed by-product-based diet was very useful for enhancing the overall performance of L. rohita fingerlings.

The reliable and cost-effective condition monitoring of the bearings installed in water pumps is a real challenge in the industry. This paper presents a novel strong feature selection and extraction algorithm (SFSEA) to extract fault-related features from the instantaneous power spectrum (IPS). The three features extracted from the IPS using the SFSEA are fed to an extreme gradient boosting (XBG) classifier to reliably detect and classify the minor bearing faults. The experiments performed on a lab-scale test setup demonstrated classification accuracy up to 100%, which is better than the previously reported fault classification accuracies and indicates the effectiveness of the proposed method.

Downsizing in engine size is pushing the automotive industry to operate compressors at low mass flow rate. However, the operation of turbocharger centrifugal compressor at low mass flow rate leads to fluid flow instabilities such as stall. To reduce flow instability, surface roughness is employed as a passive flow control method. This paper evaluates the effect of surface roughness on a turbocharger centrifugal compressor performance. A realistic validation of SRV2-O compressor stage designed and developed by German Aerospace Center (DLR) is achieved from comparison with the experimental data. In the first part, numerical simulations have been performed from stall to choke to study the overall performance variation at design conditions: 2.55 kg/s mass flow rate and rotational speed of 50,000 rpm. In second part, surface roughness of magnitude range 0-200 μm has been applied on the diffuser shroud to control flow instability. It was found that completely rough regime showed effective quantitative results in controlling stall phenomena, which results in increases of operating range from 16% to 18% and stall margin from 5.62% to 7.98%. Surface roughness as a passive flow control method to reduce flow instability in the diffuser section is the novelty of this research. Keeping in view the effects of surface roughness, it will help the turbocharger manufacturers to reduce the flow instabilities in the compressor with ease and improve the overall performance.

Several anti-nutritional substances are found in plant derivatives for example phytate, that make the nutrients and minerals unavailable to fish, hence leading to poor growth performance. Presence of the anti-nutrient factor such as phytate is a chelated compound and need enzyme for its breakdown and availability of nutrients to improve fish growth. This research work was performed to check the improvement of overall performance of Cyprinus carpio fingerlings by the help of phytase addition in Moringa oleifera by- products based diet. Combination of Moringa seed meal and Moringa leaf meal was utilized as test ingredient to formulate seven test feeds, containing graded levels of phytase (0, 500, 650, 800, 950, 1100 and 1250 FTU kg -1 ). In feeding trial of 70 days, fingerlings were given feed two times in a day at the rate of 4% of wet weight of their bodies and faeces were collected. According to current results, it was found that growth performance parameters i.e. weight gain; 25 g, specific growth rate; 1.67 and feed conversion ratio; 1.10 were improved to maximum at 950 FTU kg -1 . Digestibility of nutrients (crude protein; 73%, crude fat; 71% and gross energy; 67%) and minerals absorption was also maximum (Ca; 70%, Zn; 66%, K; 74%, Mn; 66% and P; 71%) at 950 FTU kg -1 . Lowest growth efficiency, nutrient digestibility and mineral absorption were observed in fingerlings fed at control diet (0 FTU kg -1 ). Results of the current study, proved that 950 FTU kg -1 is the most optimum level of phytase to formulate economical and ecofriendly feed for improved growth of C. carpio fingerlings as it decreases the discharge of minerals and nutrients in water bodies., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2021 The Authors.)

Sphingosine kinase 1 (SphK1) is a promising therapeutic target against several diseases including mammary cancer. The aim of present work is to identify a potent lead compound against breast cancer using ligand-based virtual screening, molecular docking, MD simulations, and the MMPBSA calculations. The LBVS in molecular and virtual libraries yielded 20,800 hits, which were reduced to 621 by several parameters of drug-likeness, lead-likeness, and PAINS. Furthermore, 55 compounds were selected by ADMET descriptors carried forward for molecular interaction studies with SphK1. The binding energy (Δ G ) of three screened compounds namely ZINC06823429 (-11.36 kcal/mol), ZINC95421501 (-11.29 kcal/mol), and ZINC95421070 (-11.26 kcal/mol) exhibited stronger than standard drug PF-543 (-9.9 kcal/mol). Finally, it was observed that the ZINC06823429 binds tightly to catalytic site of SphK1 and remain stable during MD simulations. This study provides a significant understanding of SphK1 inhibitors that can be used in the development of potential therapeutics against breast cancer.

Peroxiredoxin 6 (Prdx6) is a unique enzyme among mammalian peroxiredoxins as it lacks resolving cysteine. It is found to be involved in number of different diseases including tumours and its expression level is highest in lungs as compared to other organs. It has been found that Prdx6 plays a significant role different metabolic diseases, ocular damage, neurodegeneration and male infertility. It is a bifunctional protein having phospholipase A 2 and peroxidase (also has the ability to reduce phospholipid hydroperoxides) activities. In order to complete the peroxidise reaction cycle it requires glutathione catalyzed by glutathione S-transferase. Equilibrium unfolding and conformational stability of Prdx6 was studied by using urea as a chemical denaturant to understand the changes it goes under cellular stress conditions. Three different spectroscopic methods were employed to monitor urea-induced denaturation. From the results obtained, it was found that the urea denaturation of Prdx6 follows a variable two state process due to non-coincidence of the normalized transition curves obtained from different optical probes. The different denaturation curves were normalized and thermodynamic parameters, ΔG D o , Gibbs free energy change related to the urea-induced denaturation, midpoint of denaturation (C m ), and m = (δΔG D  / [urea]) were obtained. The structural information of Prdx6 were further analysed by several parameters obtained by 100 ns MD simulation. The results of MD simulation clearly favour the outcome of spectroscopic studies., Competing Interests: Declaration of competing interest Authors declare there is no conflict of interest., (Copyright © 2018 Elsevier B.V. All rights reserved.)

Background: The COVID-19 pandemic essentially imposes psychological effects on people. As the pandemic progresses, people experience psychological trauma gradually, which can change over time. The present study aimed to assess the prevalence of depression, anxiety, and stress among Bangladeshi people four months after the COVID-19 outbreak., Methods: An online cross-sectional survey was conducted among Bangladeshi citizens aged ≥18 years from June 1 to June 10, 2020. The participants completed an online questionnaire examining socio-demographic variables and COVID-19 related factors, along with the Depression Anxiety and Stress Scale 21. A total of 1146 respondents have been included in the study. Data were analyzed using the Statistical Package for Social Sciences, IBM Statistics version 22.0., Results: The prevalence of moderate to the extremely severe levels of depression, anxiety, and stress was 47.2%, 46.0%, and 32.5%, respectively, with no significant gender differences. The prevalence of anxiety and stress was significantly higher in participants aged >30 than in participants aged 18-30 years. Daily follow up COVID-19 related news, having COVID-19 symptoms so far, having contact (direct or indirect) with COVID-19 infected person, and fear of infection were significantly associated with depression, anxiety, and stress., Conclusions: Sizable proportions of participants had depression, anxiety and stress four months after the COVID-19 outbreak in Bangladesh. The findings of this study underscores the need for strategies aimed at reducing these psychological sufferings in Bangladeshi people in the context of COVID-19., (© 2020 The Author(s).)

Chronic obstructive pulmonary disease (COPD) poses a significant but heterogeneous burden to individuals and healthcare systems. Policymakers develop targeted policies to minimize this burden but need personalized tools to evaluate novel interventions and target them to subpopulations most likely to benefit. We developed a platform to identify subgroups that are at increased risk of emergency department visits, hospitalizations and mortality and to provide stratified patient input in economic evaluations of COPD interventions. We relied on administrative and survey data from Ontario, Canada and applied a combination of microsimulation and multi-state modeling methods. We illustrated the functionality of the platform by quantifying outcomes across smoking status (current, former, never smokers) and by estimating the effect of smoking cessation on resource use and survival, by comparing outcomes of hypothetical cohorts of smokers who quit at diagnosis and smokers that continued to smoke post diagnosis. The cumulative incidence of all-cause mortality was 37.9% (95% CI: 34.9, 41.4) for never smokers, 34.7% (95% CI: 32.1, 36.9) for current smokers, and 46.4% (95% CI: 43.6, 49.0) for former smokers, at 14 years. Over 14 years, smokers who did not quit at diagnosis had 16.3% (95% CI: 9.6, 38.4%) more COPD-related emergency department visits than smokers who quit at diagnosis. In summary, we combined methods from clinical and economic modeling to create a novel tool that policymakers and health economists can use to inform future COPD policy decisions and quantify the effect of modifying COPD risk factors on resource utilization and morality., Competing Interests: The authors have declared that no competing interests exist.

Cervical cancer is a growing and serious problem world-wide in women, but more acute in developing countries especially in Indian subcontinent. The main causative agent for the disease is Human Papilloma Virus (HPV). The history of the cervical cancer goes back to eighteenth century as the HPV infection is reported since 1800s. Presently, the genetic structure of HPV is well defined. Several screening tests including cytology and visual based screening and high risk HPV testing are available. Also available are various clinical and commercial diagnostic tests. However due to the lack of awareness and population-based screening programs, the morbidity and mortality rate is alarmingly high. There are new emerging biomarkers including E6/E7 mRNA, p16 ink4a , markers of aberrant S-phase induction, chromosomal abnormalities and miRNAs along with advanced genotyping methods. These markers have clinical significance and are helpful in disease prevention and management. Further, recent advancement in the field of metagenomics has increased the prospects of identifying newer microbes, viruses hitherto reported thus far in the context of HPV infection. Analysis of HPV cases using modern tools including genotyping using more powerful biomarkers is envisaged to enhance the prospects of early diagnosis, better prognosis, more reliable treatment and eventual management of the disease., Competing Interests: Declaration of competing interest None., (Copyright © 2020 Elsevier Ltd. All rights reserved.)

The World Organization of Family Doctors (WONCA) is a not-for-profit organization and was founded in 1972 by member organizations in 18 countries. WONCA now has 118 Member Organizations in 131 countries and territories with a membership of about 500,000 family doctors and more than 90 percent of the world's population. WONCA has seven regions, each of which has its own regional Council and run their own regional activities including conferences. WONCA South Asia Region is constituted by the national academies and colleges and academic member organizations of this region namely India, Pakistan, Bangladesh, Nepal, Sri Lanka, Bhutan, and the Maldives. In the background of the ongoing COVID 19 pandemic, the office bearers, academic leaders, practitioners, and researchers of primary care from the South Asia Region have issued a solidarity statement articulating the role of primary care physicians., (Copyright: © 2020 Journal of Family Medicine and Primary Care.)