Results 261 to 270 of about 402,784 (308)

Two-electron reduction of nitroaromatic compounds by Enterobacter cloacae NAD(P)H nitroreductase: description of quantitative structure-activity relationships.

, 2000
Henrikas Nivinskas, Ronald L. Koder, Žilvinas Anusevičius, Jonas Šarlauskas, Anne‐Frances Miller, N Cenas   +5 more
openalex   +2 more sources

Designing Polymer Nanocomposites for X‐Ray Shielding: Mechanisms, Architectures, and Scalable Processing

Advanced Engineering Materials, EarlyView.
This review highlights advances in lightweight, lead‐free polymer nanocomposites for diagnostic X‐ray shielding. By linking filler chemistry, dispersion, architecture, and photon interaction mechanisms, it establishes structure–performance relationships guiding material design.
Aklilu G. Messele, Hossein Ipakchi, Tizazu H. Mekonnen   +2 more
wiley   +1 more source

Quantitative structure-activity relationship model development for estimating the predicted No-effect concentration of petroleum hydrocarbon and derivatives in the ecological risk assessment. [PDF]

Heliyon
Wei J, Tian L, Nie F, Shao Z, Wang Z, Xu Y, He M.   +6 more
europepmc   +1 more source

Grain Refinement During Severe Plastic Deformation and Similitude of Subgrain Formation: A Molecular Dynamics Study

Advanced Engineering Materials, EarlyView.
Molecular dynamics is used to investigate structure refinement during severe plastic deformation. The results show similitude with experimental data. Molecular dynamics simulations of severe plastic deformation of monocrystalline and polycrystalline samples by multiaxial compression of aluminum are carried out.
Roberto B. Figueiredo
wiley   +1 more source

Three-dimensional quantitative structure-activity relationship analysis of a set of Pneumocystis crainii dihydrofolate reductase inhibitors using a pharmacophore generation approach

, 2011
Ruchi Mishra, Ankita Agarwal, Sarvesh Paliwal   +2 more
openalex   +1 more source

Free radical scavenging capacity of chlorogenate esters : A quantitative structure-activity relationships study [PDF]

, 2007
Luis Javier López-Giraldo, Mickaël Laguerre, Jérôme Lecomte, Maria‐Cruz Figueroa‐Espinoza, Jochen Weiß, Eric A. Decker, Hiromi Yoshida, Pierre Villeneuve   +7 more
openalex  

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, Volume 36, Issue 43, 29 May 2026.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS IN COMPUTER AIDED MOLECULAR DESIGN

, 2016
Hentabli Hamza, Naomie Salim, Faisal Saeed   +2 more
openalex   +1 more source

Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions

Advanced Functional Materials, EarlyView.
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian, Jingkai Lin, Zhihao Tian, Selusiwe Ncube, Huayang Zhang, Emiliano Cortés, Hongqi Sun, Shaobin Wang   +7 more
wiley   +1 more source

Structure–Activity Relationships and Quantitative Structure–Activity Relationships for Breast Cancer Resistance Protein (ABCG2)

, 2009
Yash Gandhi, Marilyn E. Morris
openalex   +2 more sources