Results 41 to 50 of about 11,630,444 (338)

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Molecules, 2016
A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical ...
Luis R. Domingo
doaj   +1 more source

Conceptual DFT, QTAIM, and Molecular Docking Approaches to Characterize the T-Type Calcium Channel Blocker Anandamide

Frontiers in Chemistry, 2022
Graphical ...
Maricruz Rangel-Galván, María Eugenia Castro, Jose Manuel Perez-Aguilar, Norma A. Caballero, Francisco J. Melendez   +4 more
doaj   +1 more source

Co-grinding significance for calcium carbonate–calcium phosphate mixed cement. Part I: effect of particle size and mixing on solid phase reactivity [PDF]

, 2011
In part I of this study we aim to evaluate and control the characteristics of the powders constituting the solid phase of a vaterite CaCO3–dicalcium phosphate dihydrate cement using a co-grinding process and to determine their impact on cement setting ...
Combes, Christèle, Le Bolay, Nadine, Tadier, Solène, C. Rey, Rey, Christian, S. Tadier, N. Le Bolay, C. Combes   +7 more
core   +1 more source

Reactivity of Aliphatic and Phenolic Hydroxyl Groups in Kraft Lignin towards 4,4′ MDI

Molecules, 2021
Several efforts have been dedicated to the development of lignin-based polyurethanes (PU) in recent years. The low and heterogeneous reactivity of lignin hydroxyl groups towards diisocyanates, arising from their highly complex chemical structure, limits ...
Leonardo Dalseno Antonino, Júlia Rocha Gouveia, Rogério Ramos de Sousa Júnior, Guilherme Elias Saltarelli Garcia, Luara Carneiro Gobbo, Lara Basílio Tavares, Demetrio Jackson dos Santos   +6 more
doaj   +1 more source

Reactivity of oxygen carriers for chemical looping combustion in packed bed reactors under pressurized conditions [PDF]

, 2015
For the design, scale-up, and optimization of pressurized packed bed reactors for chemical-looping combustion (CLC), understanding of the effect of the pressure on the reactivity of the oxygen carriers is very important.
Hamers, HP Paul, Gallucci, F.; id_orcid, Cobden, P.D., Williams, G., Hamers, H.P., Sint Annaland, M Martin van, Sint Annaland, van, M., Williams, G, Cobden, PD, Gallucci, F Fausto, Gallucci, F.   +10 more
core   +3 more sources

Vitrimers: directing chemical reactivity to control material properties

Chemical Science, 2020
The development of more sustainable materials with a prolonged useful lifetime is a key requirement for a transition towards a more circular economy.
M. Guerre, C. Taplan, Johan M. Winne, F. D. Du Prez   +3 more
semanticscholar   +1 more source

Loneliness, social support and cardiovascular reactivity to laboratory stress [PDF]

, 2007
Self-reported or explicit loneliness and social support have been inconsistently associated with cardiovascular reactivity (CVR) to stress. The present study aimed to adapt an implicit measure of loneliness, and use it alongside the measures of explicit ...
Gidron, Y.Y., Nausheen, Bina, Gregg, A., Peveler, L., Peveler, Robert, Nausheen, B., Tissarchondou, Harilaos S., Gregg, Aiden, Tissarchondou, H., Gidron, Yori   +9 more
core   +1 more source

The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets.

Journal of the American Chemical Society
A wide variety of reactions are reported to be dramatically accelerated in aqueous microdroplets, making them a promising platform for environmentally clean chemical synthesis.
R. LaCour, Joseph P. Heindel, Ruo-Qi Zhao, T. Head-Gordon   +3 more
semanticscholar   +1 more source

Theoretical Study of the Structural Stability, Chemical Reactivity, and Protein Interaction for NMP Compounds as Modulators of the Endocannabinoid System

Molecules, 2022
The cannabinoid receptors (CB1/CB2) and the T-type calcium channels are involved in disorders associated with both physiological pain and depressive behaviors.
Maricruz Rangel-Galván, María Eugenia Castro, Jose Manuel Perez-Aguilar, Norma A. Caballero, Alejandro Rangel-Huerta, Francisco J. Melendez   +5 more
doaj   +1 more source

Crystallinity reduction and enhancement in the chemical reactivity of cellulose by non-dissolving pre-treatment with tetrabutylphosphonium acetate

Cellulose, 2020
Herein, we demonstrate the activation of commercial chemical cellulose pulps towards chemical modification by a pre-treatment step with tetrabutylphosphonium acetate ([P 4444 ][OAc]).
Daniel Rico del Cerro, Tetyana V. Koso, Tia-Annette Kakko, A. King, I. Kilpeläinen   +4 more
semanticscholar   +1 more source