Results 51 to 60 of about 15,312 (166)
Beilstein Journal of Nanotechnology, 2023 Nanoparticles with their unique features have attracted researchers over the past decades. Heavy metals, upon release and emission, may interact with different environmental components, which may lead to co-exposure to living organisms.
Joyita Roy, Souvik Pore, Kunal Roy
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Gaussian Processes for Predictive QSAR Modeling of Chromatographic Processes
Biotechnology and Bioengineering, EarlyView.ABSTRACT Chromatography is a key unit operation in the biopharmaceutical manufacturing process used for protein purification and polishing. Design and optimization of these processes are resource‐intensive resulting from the complex combinatorial design space.
Harini Narayanan +7 more
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QSAR study by 1,2,4-triazoles using several physicochemical descriptors
Macedonian Journal of Chemistry and Chemical Engineering, 2009 A QSAR study on the inhibition of Bacillus subtilis and Salmonella enteritidis by 1,2,4-triazoles using several physicochemical descriptors was performed. The 1,2,4-triazoles consist of 18 derivatives with N1-aryl- or N1- heteroaryl substituted rings and
Vesna Dimova, Nada Perišić-Janjić
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Computational and Machine‐Learning Studies of Ethylene Oligomerization
Carbon and Hydrogen, EarlyView.This review focuses on recent advances in computational and machine‐learning studies of ethylene oligomerization, highlighting mainstream catalyst systems based on Co, Ta, Ti, Zr, and Hf, with particular emphasis on Fe‐ and Cr‐based catalysts and their controlling factors governing reactivity and LAO distribution.
Zhixin Qin +3 more
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Carbon Energy, EarlyView.The inverted F‐type ZnWO4/In2S3 heterojunction enables efficient charge separation and retention of strong oxidative capability through interfacial electric field regulation, leading to non‐toxic degradation of contaminants for sustainable water treatment.
Yanxian Jin +9 more
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Pediatric Developmental Safety Assessment: Are We Ready for the Next Thalidomide?
Clinical Pharmacology &Therapeutics, EarlyView.Pediatric drug development has achieved remarkable success in the last 20 years with over 1,000 products studied in pediatric patients. This success has been driven in part by an increased understanding of pediatric disease processes. The aspect that has been largely overlooked is the potential adverse effect of new drugs on pediatric developmental ...
Gilbert J. Burckart +6 more
wiley +1 more source
Artificial intelligence in preclinical epilepsy research: Current state, potential, and challenges
Epilepsia Open, EarlyView.Abstract Preclinical translational epilepsy research uses animal models to better understand the mechanisms underlying epilepsy and its comorbidities, as well as to analyze and develop potential treatments that may mitigate this neurological disorder and its associated conditions. Artificial intelligence (AI) has emerged as a transformative tool across
Jesús Servando Medel‐Matus +7 more
wiley +1 more source
QSAR, Molecular Docking and protein ligand interaction fingerprint studies of N-phenyl dichloroacetamide derivatives as anticancer agents [PDF]
Trends in Pharmaceutical Sciences, 2016 Dichloroacetate (DCA) is a pyruvate mimetic compound that stimulates the activity of the enzyme pyruvate dehydrogenase (PDH) through inhibition of the enzyme pyruvate dehydrogenase kinases (PDK1-4).
Masood Fereidoonnezhad +5 more
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Computer‐Aided Functional Oligosaccharide Screening and the Regulatory Role in Lipid Metabolism
Food Bioengineering, EarlyView.ABSTRACT This study investigated the lipid‐lowering effects and intervention mechanisms of structurally diverse functional oligosaccharides on non‐alcoholic fatty liver disease (NAFLD). By integrating computational tools such as molecular docking and molecular dynamics simulations (MDS), a comprehensive “in silico‐in vitro‐in vivo” tri‐dimensional ...
Rui Jing +3 more
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