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1.
Med J Armed Forces India ; 80(3): 281-286, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38799994

RESUMO

Background: Diabetes mellitus is a chronic non-communicable disease that imposes a significant burden on affected individuals and the community. Considerable attention has been given to industrial accidents and ergonomics, however, lifestyle-related diseases among industrial workers have often been neglected. Therefore, the present study was conducted with the aim to assess the prevalence of obesity/overweight and ascertain the risk of diabetes mellitus among male employees of an industrial unit in South Mumbai. Methods: The cross-sectional study was conducted among male employees of an industrial unit in South Mumbai. Family history, exercise patterns, anthropometric measurements and physical vital parameters were recorded. Body composition was assessed using bioelectrical impedance analysis (BIA). The Indian Diabetes Risk Score (IDRS) was employed to evaluate the risk of diabetes mellitus. Results: In total, 3791 industrial workers participated in the study and 44.5% of participants were above 40 years. Mean height, weight, body mass index (BMI), Waist Circumference (WC) and waist to hip ratio (WHR) were 1.67 m, 71.33 kg, 25.99, 90.81 cm and 0.91 respectively. 56.1% individuals had WC more than 90 cm and 79.1% had WHR more than 0.90. 1846 (53%) and 927 (26.6%) participants had moderate and high diabetes risk respectively. The relationship between age, weight, BMI, WC, WHR, body fat mass and fat percentage, and IDRS was statistically significant. Conclusion: A substantial proportion of industrial workers were identified as overweight and at high risk of diabetes mellitus. Consequently, it becomes imperative to offer health education and implement interventions to encourage regular exercise, adopt an active lifestyle, and promote healthy dietary habits among industrial workers.

2.
Proteins ; 89(4): 375-388, 2021 04.
Artigo em Inglês | MEDLINE | ID: mdl-33146427

RESUMO

The present study examined the structure and dynamics of the most active and thermostable carbonic anhydrase, SazCA, probed using molecular dynamics simulations. The molecular system was described by widely used biological force-fields (AMBER, CHARMM22, CHARMM36, and OPLS-AA) in conjunction with TIP3P water model. The comparison of molecular dynamics simulation results suggested AMBER to be a suitable choice to describe the structure and dynamics of SazCA. In addition to this, we also addressed the effect of temperature on the stability of SazCA. We performed molecular dynamics simulations at 313, 333, 353, 373, and 393 K to study the relationship between thermostability and flexibility in SazCA. The amino acid residues VAL98, ASN99, GLY100, LYS101, GLU145, and HIS207 were identified as the most flexible residues from root-mean-square fluctuations. The salt bridge analysis showed that ion-pairs ASP113-LYS81, ASP115-LYS81, ASP115-LYS114, GLU144-LYS143, and GLU144-LYS206, were responsible for the compromised thermal stability of SazCA.


Assuntos
Proteínas de Bactérias , Anidrases Carbônicas , Simulação de Dinâmica Molecular , Domínios Proteicos/fisiologia , Bactérias/enzimologia , Proteínas de Bactérias/química , Proteínas de Bactérias/metabolismo , Anidrases Carbônicas/química , Anidrases Carbônicas/metabolismo , Estabilidade Proteica , Temperatura
3.
ACS Appl Mater Interfaces ; 16(14): 17574-17586, 2024 Apr 10.
Artigo em Inglês | MEDLINE | ID: mdl-38556732

RESUMO

The efficiency of oxygen electrocatalysis is a key factor in diverse energy domain applications, including the performance of metal-air batteries, such as aqueous Zinc (Zn)-air batteries. We demonstrate here that the doping of cobalt oxide with optimal amounts of copper (abbreviated as Cu-doped Co3O4) results in a stable and efficient bifunctional electrocatalyst for oxygen reduction (ORR) and evolution (OER) reactions in aqueous Zn-air batteries. At high Cu-doping concentrations (≥5%), phase segregation occurs with the simultaneous presence of Co3O4 and copper oxide (CuO). At Cu-doping concentrations ≤5%, the Cu ion resides in the octahedral (Oh) site of Co3O4, as revealed by X-ray diffraction (XRD)/Raman spectroscopy investigations and molecular dynamics (MD) calculations. The residence of Cu@Oh sites leads to an increased concentration of surface Co3+-ions (at catalytically active planes) and oxygen vacancies, which is beneficial for the OER. Temperature-dependent magnetization measurements reveal favorable d-orbital configuration (high eg occupancy ≈ 1) and a low → high spin-state transition of the Co3+-ions, which are beneficial for the ORR in the alkaline medium. The influence of Cu-doping on the ORR activity of Co3O4 is additionally accounted in DFT calculations via interactions between solvent water molecules and oxygen vacancies. The application of the bifunctional Cu-doped (≤5%) Co3O4 electrocatalyst resulted in an aqueous Zn-air battery with promising power density (=84 mW/cm2), stable cyclability (over 210 cycles), and low charge/discharge overpotential (=0.92 V).

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