Nanostructuring and macroscopic behavior of type V deep eutectic solvents based on monoterpenoids
Literature Information
Lorena Zamora, Cristina Benito, Alberto Gutiérrez, Rafael Alcalde, Noor Alomari, Ahmad Al Bodour, Mert Atilhan, Santiago Aparicio
Type V natural deep eutectic solvents based on monoterpenoids (cineole, carvone, menthol, and thymol) are studied using a combined experimental and molecular modeling approach. The reported physicochemical properties showed low viscous fluids whose properties were characterized as a function of temperature. The theoretical study combining quantum chemistry and classical molecular dynamics simulations provided a nanoscopic characterization of the fluids, particularly for the hydrogen bonding network and its relationship with the macroscopic properties. The considered fluids constitute a suitable type of solvents considering their properties, cost, origin, and sustainability in different technological applications and sow the possibility of developing type V NADES from different types of molecules, especially in the terpenoid family of compounds.
Recommended Journals
Related Literature
The effects of lattice strain, dislocations, and microstructure on the transport properties of YSZ films
George F. Harrington, Andrea Cavallaro, Stephen J. Skinner
DOI: 10.1039/C7CP02017A
Thionine–graphene oxide covalent hybrid and its interaction with light
Ewelina Krzyszkowska, Justyna Walkowiak-Kulikowska, Sven Stienen, Aleksandra Wojcik
DOI: 10.1039/C7CP01267E
Oxygen diffusion in ceria doped with rare-earth elements
Johan O. Nilsson, Mikael Leetmaa, Sergei I. Simak
DOI: 10.1039/C6CP06460D
Evaluation of electronic polarization energy in oligoacene molecular crystals using the solvated supermolecular approach
Tao Xu, Wenliang Wang, Shiwei Yin, Yun Wang
DOI: 10.1039/C7CP01534H
First-principles study of the structural stability and electrochemical properties of Na2MSiO4 (M = Mn, Fe, Co and Ni) polymorphs
F. Bianchini, H. Fjellvåg, P. Vajeeston
DOI: 10.1039/C7CP01395G
New Fukui, dual and hyper-dual kernels as bond reactivity descriptors
Carlos-A Polanco-Ramírez, Paul W. Ayers, José L. Gázquez, Alberto Vela
DOI: 10.1039/C7CP02613G
Light-induced antibiotic release from a coumarin-caged compound on the ultrafast timescale
L.-M. Herzig, I. Elamri, H. Schwalbe, J. Wachtveitl
DOI: 10.1039/C7CP02030A
Isomerization versus dissociation of phenylalanylglycyltryptophan radical cations
Xiaoyan Mu, Alan C. Hopkinson, Ivan K. Chu
DOI: 10.1039/C7CP02355C
You might also like
What are the main uses of 1-(3-Aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea (CAS: 155412-88-7)?
This compound is mainly used as an intermediate in the synthesis of antipsychoti...
How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?
Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...
What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?
2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...
What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?
N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...
What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?
5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...
What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?
When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...
What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?
Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...
What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?
4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...
What precautions should be taken when handling (S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate (CAS: 1007881-98-2)?
Handling this compound should be done with personal protective equipment (PPE) i...
What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?
When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











![2,6-Di(thiophen-2-yl)dithieno[3,2-b:2',3'-d]thiophene structure 2,6-Di(thiophen-2-yl)dithieno[3,2-b:2',3'-d]thiophene structure](https://static.chemtradehub.com/structs/910/910788-24-8-5b70.webp)


