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http://dx.doi.org/10.1021/cr0780006 | DOI Listing |
J Chem Phys
January 2025
Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, De Boelelaan 1108, 1081 HZ Amsterdam, The Netherlands, https://www.theochem.nl.
We have quantum chemically analyzed the trends in bond dissociation enthalpy (BDE) of H3C-XHn single bonds (XHn = CH3, NH2, OH, F, Cl, Br, I) along three different dissociation pathways at ZORA-BLYP-D3(BJ)/TZ2P: (i) homolytic dissociation into H3C∙ + ∙XHn, (ii) heterolytic dissociation into H3C+ + -XHn, and (iii) heterolytic dissociation into H3C- + +XHn. The associated BDEs for the three pathways differ not only quantitatively but, in some cases, also in terms of opposite trends along the C-X series. Based on activation strain analyses and quantitative molecular orbital theory, we explain how these differences are caused by the profoundly different electronic structures of, and thus bonding mechanisms between, the resulting fragments in the three different dissociation pathways.
View Article and Find Full Text PDFJ Sci Food Agric
January 2025
School of Biosciences, Faculty of Science and Engineering, University of Nottingham Malaysia, Semenyih, Malaysia.
In recent years, changes in dietary patterns from an omnivore diet to a moderate-to-restrictive diet that includes more plant food are becoming popular for various reasons and the associated health benefits. Despite the increased consumption of plant food as recommended by these seemingly healthy diets, micronutrient deficiency is still prevalent particularly among the health-conscious populations. The aim of this review is to help guide interventions by understanding micronutrient deficiency trends from a dietary habit and plant physiology context.
View Article and Find Full Text PDFJ Food Sci Technol
January 2025
Amity Institute of Biotechnology, Amity University Rajasthan, SP-1, Kant Kalwar, RIICO Industrial Area, NH-11C, Jaipur, Rajasthan 303002 India.
Artificial sweeteners with almost zero calories are in high demand in the food and beverage industries due to an increase in diabetes and obesity cases throughout the globe. They vary in their chemical structures and sweetness intensity. The health concerns linked to the consumption of these additives have always been a matter of heated debate.
View Article and Find Full Text PDFFront Bioeng Biotechnol
January 2025
Federal University of Alagoas, Center of Technology, Maceió, Brazil.
Medical implants are designed to replace missing parts or improve body functions and must be capable of providing structural support or therapeutic intervention for a medical condition. Advances in materials science have enabled the development of devices made from metals, polymers, bioceramics, and composites, each with its specific advantages and limitations. This review analyzes the incorporation of biopolymers, proteins, and other biomacromolecules into implants, focusing on their role in biological integration and therapeutic functions.
View Article and Find Full Text PDFFront Endocrinol (Lausanne)
January 2025
Department of Pharmacy, Nanjing Gaochun People's Hospital, Nanjing, Jiangsu, China.
Background: This study aimed to analyze the changing trend of diabetes drugs clinical trials in China during 2013-2023, and provided a reference for the research and development of diabetes drugs.
Methods: Diabetes drug clinical trial data were obtained from the registration and information disclosure platform of the National Medical Products Administration (NMPA) between January 1, 2013, and December 31, 2023. Trends of clinical trials on diabetes drugs were systematically analyzed in terms of characteristics, trial design, time trends, drug type, and indications.
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