Janus-faced role of water in defining nanostructure of choline chloride/glycerol deep eutectic solvent

Physical Chemistry Chemical Physics : PCCP
Lindong Weng, Mehmet Toner

Abstract

Deep eutectic solvents (DESs) have emerged as a set of intrinsically "designer solvents" for many bio-applications such as DNA nanotechnology and biocatalysis. However, the high viscosity of DESs tends to prevent bioactive components from being incorporated into the solvent. Although dilution with water may effectively reduce the viscosity of DES, the effect of water on its cooperative hydrogen-bonding network has not been evaluated systematically. This study conducted a series of molecular dynamics simulations on the DES made of choline chloride and glycerol at different hydration levels. We discovered a Janus-faced role of water in defining the interactive network between choline chloride and glycerol. Chloride played a critical role in bridging choline and glycerol in the anhydrous mixture. But the addition of water results in the decrease in the number of choline-chloride-glycerol supramolecular complexes and the number of hydrogen bonds between choline and glycerol, demonstrating the de-structuring effect of water. Interestingly, we also found that water could link choline to glycerol in place of chloride. The structuring role of water in bridging choline and glycerol reached its maximum in the presence of 35.8 wt% water. ...Continue Reading

References

Mar 4, 2003·Chemical Communications : Chem Comm·Andrew P AbbottVasuki Tambyrajah
Jul 22, 2004·Journal of the American Chemical Society·Andrew P AbbottRaymond K Rasheed
Oct 14, 2005·Journal of Computational Chemistry·James C PhillipsKlaus Schulten
Jun 13, 2009·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Sungho HanH Eugene Stanley
Nov 28, 2009·Angewandte Chemie·María C GutiérrezFrancisco del Monte
Nov 2, 2011·Journal of Computational Chemistry·Joseph D YesselmanCharles L Brooks
Jul 19, 2012·Chemical Society Reviews·Qinghua ZhangFrançois Jérôme
Feb 23, 2013·Analytica Chimica Acta·Yuntao DaiYoung Hae Choi
Nov 28, 2013·The Journal of Physical Chemistry. B·H F M C Martiniano, N Galamba
Oct 11, 2014·Chemical Reviews·Emma L SmithKarl S Ryder
Nov 25, 2014·The Journal of Physical Chemistry. B·Ashish Pandey, Siddharth Pandey
Jun 23, 2016·Physical Chemistry Chemical Physics : PCCP·Claire R AshworthPatricia A Hunt
Mar 25, 2017·Advanced Healthcare Materials·Amrita BanerjeeSamir Mitragotri
Jul 13, 2017·The Journal of Physical Chemistry. B·Oliver S HammondKaren J Edler
Dec 5, 2017·The Journal of Physical Chemistry. B·Evgenii O FetisovJ Ilja Siepmann
Dec 5, 2017·The Journal of Physical Chemistry. B·Adriaan van den BruinhorstMaaike C Kroon

❮ Previous
Next ❯

Citations

Mar 7, 2019·Physical Chemistry Chemical Physics : PCCP·Jörg BazNiels Hansen
Oct 13, 2019·Chembiochem : a European Journal of Chemical Biology·Lei HuangSelin Kara
Apr 2, 2020·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Payam KalhorZhi-Wu Yu
Feb 6, 2021·Physical Chemistry Chemical Physics : PCCP·Akshay Malik, Hemant K Kashyap
Jun 27, 2021·Journal of Molecular Graphics & Modelling·Payam KalhorKumars Seifpanahi-Shabani
Jul 8, 2021·Journal of Chemical Theory and Computation·Jan Philipp BittnerSven Jakobtorweihen
Aug 4, 2021·The Journal of Chemical Physics·Akshay Malik, Hemant K Kashyap
Mar 30, 2019·The Journal of Physical Chemistry. B·Somenath PandaRamesh L Gardas
Feb 28, 2020·The Journal of Physical Chemistry. B·Supreet KaurHemant K Kashyap
Jun 28, 2019·The Journal of Physical Chemistry. B·Parker J SmithJohn C Goeltz
Nov 6, 2020·The Journal of Physical Chemistry. B·Supreet KaurHemant K Kashyap
Sep 19, 2020·The Journal of Physical Chemistry. B·Lucie PercevaultDenis Morineau

❮ Previous
Next ❯

Software Mentioned

NAMD
MATCH
CHARMM36

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.