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Exploring the role of genetic variability and exposure to bisphenols and parabens on excess body weight in Spanish children.
Ecotoxicol Environ Saf
November 2024
Department of Nutrition and Food Science, Faculty of Pharmacy, University of Granada, Granada, Spain; Instituto de Investigación Biosanitaria ibs.GRANADA, Granada, Spain; Institute of Nutrition and Food Technology "Jose Mataix Verdú," Biomedical Research Center, University of Granada, Granada, Spain.
Gene-environment interaction studies are emerging as a promising tool to shed light on the reasons for the rapid increase in excess body weight (overweight and obesity). We aimed to investigate the influence of several polymorphisms on excess weight in Spanish children according to a short- and long-term exposure to bisphenols and parabens, combining individual approach with the joint effect of them. This case-control study included 144 controls and 98 cases children aged 3-12 years.
View Article and Find Full Text PDFTheoretical investigation of the effects of diverse hydrogen-bonding characteristics on the O chemical shielding and electric field gradient tensors within the active sites of MraY bound to nucleoside antibiotics capuramycin, carbacaprazamycin, 3'-Hydroxymureidomycin A, and muraymycin D2.
Solid State Nucl Magn Reson
October 2024
Drug Design and Bioinformatics Unit, Medical Biotechnology Department, Biotechnology Research Center, Pasteur Institute of Iran, Tehran, 13169-43551, Iran.
Article Synopsis
- This study builds on previous research to analyze how hydrogen bonds and charge transfer interactions impact the chemical properties of oxygen in various MraY-inhibitor complexes using advanced computational methods.
- The findings reveal that the nuclear shielding of carboxylate and carbonyl oxygens increases with shorter hydrogen bond lengths and higher p-character in charge transfer interactions, while hydroxyl oxygens experience a deshielding effect under similar conditions.
- The calculated parameters align well with experimental data, providing insights into the relationship between NMR spectroscopy and hydrogen bonding in protein-ligand interactions.
High-pressure synthesis of A-site ordered perovskite PbMn(CrMn)O with long-range antiferromagnetic ordering and a spin glass transition.
Dalton Trans
June 2024
MOE Key Laboratory of New Processing Technology for Nonferrous Metal and Materials, Guangxi Key Laboratory of Optical and Electronic Materials and Devices, Collaborative Innovation Center for Exploration of Nonferrous Metal Deposits and Efficient Utilization of Resources, College of Materials Science and Engineering, Guilin University of Technology, Guilin 541004, P. R. China.
An AA'BO-type perovskite oxide PbMn(CrMn)O was synthesized by high-pressure solid-state reactions at 8 GPa and 1373 K. Synchrotron X-ray diffraction shows a cubic crystal structure with the space group 3̄. The charge states are verified by X-ray photoelectron spectroscopy to be PbMn(CrMnMn)O, where the Pb and Mn are 1 : 3 ordered respectively at A and A' sites, while the Cr, Mn and Mn are disorderly distributed at the B site.
View Article and Find Full Text PDFChalkophore mediated respiratory oxidase flexibility controls virulence.
bioRxiv
April 2024
Immunology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, 1275 York Avenue, New York, New York 10065 USA.
Oxidative phosphorylation has emerged as a critical therapeutic vulnerability of , but it is unknown how and other pathogens maintain respiration during infection. synthesizes diisonitrile lipopeptide chalkophores that chelate copper tightly, but their role in host-pathogen interactions is also unknown. We demonstrate that chalkophores maintain the function of the heme-copper respiratory oxidase under copper limitation.
View Article and Find Full Text PDFMolecular Dynamics and In Vitro Studies Elucidating the Tunable Features of Reconfigurable Nanodiscs for Guiding the Optimal Design of Curcumin Formulation.
Bioengineering (Basel)
February 2024
School of Pharmaceutical Sciences, Shenzhen Campus of Sun Yat-sen University, Shenzhen 518107, China.
In this study, we advance our exploration of Apolipoprotein A-I (apoA-I) peptide analogs (APAs) for their application in nanodisc (ND) assembly, focusing on the dynamic conformational characteristics and the potential for drug delivery. We explore APA-ND interactions with an emphasis on curcumin encapsulation, utilizing molecular dynamic simulations and in vitro assessments to evaluate the efficacy of various APA-ND formulations as drug carriers. The methodological approach involved the generation of three unique apoA-I α-11/3 helical mimics, resulting in fifteen distinct APAs.
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