Results 51 to 60 of about 512 (161)

Computational study on the effects of solvent and thermodynamic properties of the pharmaceutical compound milrinone in aqueous solutions of ethanol and 2-propanol

open access: yesChemical Thermodynamics and Thermal Analysis
In this study, the Kamlet–Abboud–Taft linear solvation energy relationship (KAT-LSER) model, van't Hoff analysis, and Inverse Kirkwood-Buff Integrals method were applied to determine solvent effects, dissolution thermodynamics, and preferential solvation
Adel Noubigh   +2 more
doaj   +1 more source

Comparison of Classical and Green RPLC Methods in the Determination of pKa Values of Some Piperazine Group Antihistamines

open access: yesChemistry – A European Journal, Volume 30, Issue 34, June 17, 2024.
In this study, the environmentally friendly green RPLC method was used as an alternative to classical RPLC methods in the determination of the pKa values of some antihistamines of the piperazine group and compared with the data obtained with other methods.
İkbal Demet Nane   +2 more
wiley   +1 more source

Dispersion, Polar, and Hydrogen-Bonding Contributions to Solvation Free Energies

open access: yesLiquids
A new method is presented for the estimation of contributions to solvation free energy from dispersion, polar, and hydrogen-bonding (HB) intermolecular interactions.
William E. Acree, Costas Panayiotou
doaj   +1 more source

In Silico Acute Aquatic Hazard Assessment and Prioritization Using a Grouped Target Site Model: A Case Study of Organic Substances Reported in Permian Basin Hydraulic Fracturing Operations

open access: yesEnvironmental Toxicology and Chemistry, Volume 43, Issue 5, Page 1161-1172, May 2024.
Abstract Hydraulic fracturing (HF) is commonly used to enhance onshore recovery of oil and gas during production. This process involves the use of a variety of chemicals to support the physical extraction of oil and gas, maintain appropriate conditions downhole (e.g., redox conditions, pH), and limit microbial growth. The diversity of chemicals used in
Kathleen S. Boone   +4 more
wiley   +1 more source

Modeling headspace solid-phase microextraction of volatile organic compounds from water samples with porous coatings using finite element analysis

open access: yesAdvances in Sample Preparation, 2022
This research was aimed at the development of the COMSOL Multiphysics® (CMP) model for simulating the headspace (HS) solid-phase microextraction (SPME) of volatile organic compounds (VOCs) from water using Carboxen/polydimethylsiloxane coating at 25 °C ...
Aset Muratuly   +2 more
doaj   +1 more source

LSER in the reaction between p -nitrobenzyl bromide and 2-mercaptobenzoxazole

open access: yesJournal of Chemical Research, 2006
The reaction between p-nitrobenzyl bromide and 2-mercaptobenzoxazole has been studied by following the conductance of the reaction mixture at different time intervals. The reaction is overall second order, being first order with respect to both [nucleophile] and [substrate].
Sudala Ranga Reddy   +2 more
openaire   +1 more source

Solvatochromism studies on UV spectra of 4,5-disubstituted-1,2,4-triazoline-3-thiones

open access: yesMacedonian Journal of Chemistry and Chemical Engineering, 2012
The influence of a series of organic solvents on the UV spectra of investigated 1,2,4-triazoles, was studied by implementing solvatochromic theory.
Vesna B. Dimova   +1 more
doaj   +1 more source

Survey of Connectivity Restoration in 3D Wireless Ad Hoc/Sensor Networks

open access: yesInternational Journal of Distributed Sensor Networks, Volume 2024, Issue 1, 2024.
Wireless ad hoc/sensor networks (WASN) have seen increased application in three‐dimensional (3D) environments, such as underwater and aerial scenarios. However, WASN may be fragmented or unable to connect continuously due to the harsh surrounding environment or high mobility.
Hongsheng Chen   +5 more
wiley   +1 more source

Linear Solvation Energy Relationship (Lser) in the Allylation of 2-Mercapto-1-Methylimidazole

open access: yesProgress in Reaction Kinetics and Mechanism, 2009
The affect of 16 different protic and aprotic solvents on the rate of reaction between allyl bromide and 2-mercapto-1-methylimidazole has been studied. Correlation of the rate constants with different solvent parameters indicates that the polarity, polarisability, electrophilicity and hydrogen bond donor ability of the solvent simultaneously influence
Dharanipragada Vijayabharathi   +1 more
openaire   +1 more source

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