Results 51 to 60 of about 5,171,131 (233)

Strength of London Dispersion Forces in Organic Structure Directing Agent—Zeolite Assemblies

Molecules
Herein, we study the London dispersion forces between organic structure directing agents (OSDAs)—here tetraalkyl-ammonium or -phosphonium molecules—and silica zeolite frameworks (FWs).
Karima Ata, Tzonka Mineva, Bruno Alonso
doaj   +1 more source

Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis

Heliyon, 2019
An easy and efficient microwave-assisted protocol has been developed for the synthesis of coumarin-purine hybrids (3a-3j). The newly constructed 1,3-dimethyl-7-((substituted)-2-oxo-2H-chromen-4-yl)methyl)-1H-purine-2,6(3H,7H)-dione derivatives were ...
Sumitra N. Mangasuli, Kallappa M. Hosamani, Praveen B. Managutti   +2 more
doaj  

Pathological Science [PDF]

, 2000
I discuss examples of what Dr. Irving Langmuir, a Nobel prize winner in Chemistry, called "the science of things that aren't so." Some of his examples are reviewed and others from High Energy Physics are added. It is hoped that discussing these incidents
Stone, Sheldon
core   +3 more sources

Detailed chemical characterization and molecular modeling of serotonin inclusion complex with unmodified β-cyclodextrin

Heliyon, 2019
In this study, we analyzed the capability of unmodified β-cyclodextrin (β-CD) to form the stable complex with serotonin hydrochloride (SER), as an important neurotransmitter in the brain.
F. Fateminasab, A.K. Bordbar, S. Shityakov   +2 more
doaj  

Anticorrosive properties of Hexa (3-methoxy propan-1,2-diol) cyclotri-phosphazene compound for carbon steel in 3% NaCl medium: gravimetric, electrochemical, DFT and Monte Carlo simulation studies

Heliyon, 2019
The corrosion inhibition performance of Hexa (3-methoxy propan-1,2 diol) cyclotriphosphazene (HMC) on carbon steel in 3% NaCl solution was investigated by weight loss (WL), potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS ...
Omar Dagdag, Ahmed El Harfi, Mustapha El Gouri, Zaki Safi, Ramzi T.T. Jalgham, Nuha Wazzan, Chandrabhan Verma, E.E. Ebenso, U. Pramod Kumar   +8 more
doaj  

The Theoretical Description for Chlorantraniliprole Electrochemical Determination, Assisted by Squaraine Dye – Nano-CuS Composite

Orbital: The Electronic Journal of Chemistry, 2021
The theoretical description for the chlorantraniliprole electrochemical determination, assisted by the hybrid composite of squaraine dye with CuS nanoparticles has been described.
Volodymyr V. Tkach, Marta V. Kushnir, Silvio Cesar de Oliveira, Hanifa Zh. Salomova, Dilafruz B. Razhabova, Dilfuza M. Musayeva, Laziz N. Niyazov, Yana G. Ivanushko, Mariia P. Mytchenok, Oleksandra V. Ahafonova, Bohdana Y. Banul, Tetiana P. Honchar, Petro I. Yagodynets´, Zholt O. Kormosh, Lucinda Vaz dos Reis, Konon L. Bagrii, Lyubov T. Strutynska, Inna P. Danyliuk, Nataliia M. Gordiyenko, Yulia V. Britsyna, Maryna V. Parkhomenko, Mariia M. Levon   +21 more
doaj  

Investigating the transformations of polyoxoanions using mass spectrometry and molecular dynamics [PDF]

, 2016
The reactions of [γ-SiW10O36]8– represent one of the most important synthetic gateways into a vast array of polyoxotungstate chemistry. Herein, we set about exploring the transformation of the lacunary polyoxoanion [β2-SiW11O39]8– into [γ-SiW10O36]8 ...
Antonio Rodríguez-Fortea, Contant R., Fumichika Iijima, Hiroki Oshio, Jamie M. Cameron, Josep M. Poblet, Juan Carlos Murillo, Laia Vilà-Nadal, Leroy Cronin, Ross S. Winter   +9 more
core   +2 more sources

Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study

Heliyon, 2019
Alzheimer's disease is an irreversible and progressive brain disease that can cause problems with memory and thinking skills. It is characterized by loss of cognitive ability and severe behavioral abnormalities, and could lead to death.
Marwa N. Abu-Aisheh, Amal Al-Aboudi, Mohammad S. Mustafa, Mustafa M. El-Abadelah, Saman Yousuf Ali, Zaheer Ul-Haq, Mohammad S. Mubarak   +6 more
doaj  

Computational screening of carbon monoxide (CO) adsorption over neutral and charged Al7 clusters

Heliyon, 2019
A density functional theory study on the structures and chemical bonding of charged (Al7+ and Al7−) and neutral Al7 clusters is presented. A distorted octahedral structure with an aluminum atom decorating one of the aluminum faces of the octahedron is ...
Z. Abdeveiszadeh, E. Shakerzadeh, S. Noorizadeh   +2 more
doaj  

A forecast for theoretical chemistry [PDF]

Application of quantum mechanics in theoretical ...
Hirschfelder, J. O.
core   +1 more source