Results 151 to 160 of about 322,559 (240)

Understanding the Chemical and Electronic Properties of Sub‐Monolayer TiO2 on High Surface Area Silica for Jet Fuel Synthesis Applications

Advanced Functional Materials, EarlyView.
Sub‐monolayer titania grafted onto mesoporous silica enables solvent‐free photocatalytic upgrading of furfural and cyclopentanone into jet fuel precursors. Advanced spectroscopic methods reveal tunable surface speciation, acidity, and bandgaps, enhancing catalytic efficiency.
Mark A. Isaacs, Charalampos Drivas, Arthur Graf, Sasha Kroon, Santosh Kumar, Junxi Liu, Antonio Torres‐Lopez, Cameron Price, Edward Garland, Ines Lezcano‐Gonzalez, Christopher. M. A. Parlett, Vannia C. dos Santos‐Durndell, Lee J. Durndell   +12 more
wiley   +1 more source

Quantitative Structure-Activity Relationship Study of Cathepsin L Inhibitors as SARS-CoV-2 Therapeutics Using Enhanced SVR with Multiple Kernel Function and PSO. [PDF]

Int J Mol Sci
Li S, Li Z, Zhang P, Qu A.
europepmc   +1 more source

Quantitative Structure-Activity Relationship, Ontology-Based Model of the Antioxidant and Cell Protective Activity of Peat Humic Acids. [PDF]

Polymers (Basel), 2022
Zykova MV, Brazovskii KS, Bratishko KA, Buyko EE, Logvinova LA, Romanenko SV, Konstantinov AI, Krivoshchekov SV, Perminova IV, Belousov MV.   +9 more
europepmc   +1 more source

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

Advanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

Quantitative Structure-Activity Relationship Models to Predict Cardiac Adverse Effects. [PDF]

Chem Res Toxicol
Mou Z, Volarath P, Racz R, Cross KP, Girireddy M, Chakravarti S, Stavitskaya L.   +6 more
europepmc   +1 more source

Systematic review on the application of machine learning to quantitative structure-activity relationship modeling against Plasmodium falciparum. [PDF]

Mol Divers, 2022
Oguike OE, Ugwuishiwu CH, Asogwa CN, Nnadi CO, Obonga WO, Attama AA.   +5 more
europepmc   +1 more source

Density Functional Theory and Quantitative Structure-Activity Relationship Studies of some Quinoxaline derivatives as potential Corrosion Inhibitors for Copper in Acidic Medium

, 2012
Mwadham M. Kabanda, Eno E. Ebenso
openalex   +1 more source

Quantitative structure–activity relationship study on prolonged anticonvulsant activity of terpene derivatives in pentylenetetrazole test

, 2021
Mariia Nesterkina, Viacheslav Muratov, L. N. Ognichenko, Iryna Kravchenko, V. Е. Kuz’min   +4 more
openalex   +1 more source

Copper‐based Materials for Photo and Electrocatalytic Process: Advancing Renewable Energy and Environmental Applications

Advanced Functional Materials, EarlyView.
Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida, Yanjie Wang, Thais A. Rodrigues, Paulo H. H. Nunes, Vagner R. de Mendonça, Paulo H. E. Falsetti, Leticia V. Savazi, Tao He, Alexandra V. Bardakova, Aida V. Rudakova, Jie Tian, Alexei V. Emeline, Osmando F. Lopes, Antonio Otavio T. Patrocínio, Jia Hong Pan, Caue Ribeiro, Detlef W. Bahnemann   +16 more
wiley   +1 more source

Quantitative Structure-activity Relationship-based Neural Network Model in Screening Potential Inhibitors from Brown Algae against RelA in Oral Squamous Cell Carcinoma. [PDF]

Int Dent J
Alqarni A, Hosmani J, Alassiri S, Alqahtani AMA, Assiri HA, AlHousami T, Zaki H, Patil S.   +7 more
europepmc   +1 more source