Results 11 to 20 of about 46,449 (257)

Stepwise or concerted? DFT study on the mechanism of ionic Diels-Alder reaction of chromanes [PDF]

Journal of the Serbian Chemical Society, 2016
The stepwise and concerted Ionic Diels-Alder reaction between phenyl (pyridin-2-ylmethylene) oxonium and styrene derivatives are explored using theoretical method. The results support using computational method via persistent intermediates.
Haghdadi Mina, Soghra Mousavi Seyedeh, Ghasemnejad Hassan   +2 more
doaj   +1 more source

Reactivity Indices for the Coronene Nanocrystals and Their Derivatives: Modeling Approach

Scientific Journal of King Faisal University: Basic and Applied Sciences, 2022
The modeling approach was applied for the study of the reactivity of pristine and the substitution and absorption of doped coronene nanocrystals with nitrogen and boron under different cases.
Abdelkareem Almeshal
doaj   +1 more source

Statistical properties of cerebral near infrared and intracranial pressure-based cerebrovascular reactivity metrics in moderate and severe neural injury: a machine learning and time-series analysis

Intensive Care Medicine Experimental, 2023
Background Cerebrovascular reactivity has been identified as a key contributor to secondary injury following traumatic brain injury (TBI). Prevalent intracranial pressure (ICP) based indices of cerebrovascular reactivity are limited by their invasive ...
Alwyn Gomez, Amanjyot Singh Sainbhi, Kevin Y. Stein, Nuray Vakitbilir, Logan Froese, Frederick A. Zeiler   +5 more
doaj   +1 more source

Cerebrovascular Pressure Reactivity Measures: Index Comparison and Clinical Outcome in Patients With Traumatic Brain Injury Treated According to an Intracranial Pressure?Focused Management: Rejection of the Null Hypothesis

Neurotrauma Reports, 2023
The aim was to investigate whether the pressure reactivity indices PRx, long-PRx (L-PRx), and pressure reactivity (PR) are interchangeable as measures of vascular reactivity, and whether they correlate with clinical outcome when an intracranial pressure (
Axel Risinger Liljegren, Camilla Brorsson, Marcus Karlsson, Lars-Owe D. Koskinen, Nina Sundstr?m   +4 more
doaj   +1 more source

Quantum Reactivity: An Indicator of Quantum Correlation [PDF]

Entropy, 2019
Geometry is often a valuable guide to complex problems in physics. In this paper, we introduce a novel geometric quantity called quantum reactivity (QR) to probe quantum correlations in higher-dimensional quantum systems. Much like quantum discord, QR is not a measure of quantum entanglement but can be useful in quantum information processes where a ...
Shahabeddin M. Aslmarand, Warner A. Miller, Verinder S. Rana, Paul M. Alsing   +3 more
openaire   +3 more sources

Determinants of physiological and perceived physiological stress reactivity in children and adolescents. [PDF]

PLoS ONE, 2013
AIMS: Abnormal physiological stress reactivity is increasingly investigated as a vulnerability marker for various physical and psychological health problems. However, studies are inconsistent in taking into account potential covariates that may influence
Brittany E Evans, Kirstin Greaves-Lord, Anja S Euser, Joke H M Tulen, Ingmar H A Franken, Anja C Huizink   +5 more
doaj   +1 more source

A Computational Study of Structure and Reactivity of N-Substitued-4-Piperidones Curcumin Analogues and Their Radical Anions

Molecules, 2016
In this work, a computational study of a series of N-substitued-4-piperidones curcumin analogues is presented. The molecular structure of the neutral molecules and their radical anions, as well as their reactivity, are investigated.
Maximiliano Martínez-Cifuentes, Boris Weiss-López, Ramiro Araya-Maturana   +2 more
doaj   +1 more source

X-ray Single Crystal Structure, DFT Calculations and Biological Activity of 2-(3-Methyl-5-(pyridin-2’-yl)-1H-pyrazol-1-yl) Ethanol

Molecules, 2016
A pyridylpyrazole bearing a hydroxyethyl substituent group has been synthesized by condensation of (Z)-4-hydroxy-4-(pyridin-2-yl)but-3-en-2-one with 2-hydroxyethylhydrazine.
Smaail Radi, Ahmed Attayibat, Mohamed El-Massaoudi, Amin Salhi, Driss Eddike, Monique Tillard, Yahia N. Mabkhot   +6 more
doaj   +1 more source

Substituent Effects in 3,3’ Bipyrazole Derivatives. X-ray Crystal Structures, Molecular Properties and DFT Analysis

Acta Chimica Slovenica, 2021
The single crystal X-ray structure of new 1,1’-bis(2-nitrophenyl)-5,5’-diisopropyl-3,3’-bipyrazole, 1, is triclinic P , a = 7.7113(8), b = 12.3926(14), c = 12.9886(12) Å, a = 92.008(8), β = 102.251(8), γ = 99.655(9)°.
Ibrahim Bouabdallah, Tarik Harit, Mahmoud Rahal, Fouad Malek, Monique Tillard, Driss Eddike   +5 more
doaj   +1 more source

Reactive Strength Index: A Poor Indicator of Reactive Strength?

International Journal of Sports Physiology and Performance, 2018
Purpose:To assess the relationships between reactive strength measures and associated kinematic and kinetic performance variables achieved during drop jumps. A secondary aim was to highlight issues with the use of reactive strength measures as performance indicators.Methods:Twenty-eight national- and international-level sprinters, 14 men and 14 women ...
Healy, Robin, Kenny, Ian C., Harrison, Andrew J.   +2 more
openaire   +3 more sources