Concept

Water of crystallization

Related publications (153)

Guest dynamics in methane hydrates and hydrogen hydrates under high pressure

Hydrates of gas are non-stoichiometric inclusion compounds constituted of water and gas. Therein, the water molecules are hydrogen-bonded and form three-dimensional crystalline networks incorporating different kinds of polar or nonpolar guest gas molecules ...

EPFL2018

Optical imaging of surface chemistry and dynamics in confinement

Sylvie Roke, Carlos Alberto Macias Romero, Halil Ibrahim Okur, Igor Nahálka

We imaged the interfacial structure and dynamics of water in a microscopically confined geometry in three dimensions and on millisecond time scales with a 3D structurally illuminated wide-field second harmonic microscope. Image contrast reports on the orie ...

American Association for the Advancement of Science2017

Communication: Mean-field theory of water-water correlations in electrolyte solutions

Michele Ceriotti, Sylvie Roke, David Mark Wilkins

Long-range ion induced water-water correlations were recently observed in femtosecond elastic second harmonic scattering experiments of electrolyte solutions. To further the qualitative understanding of these correlations, we derive an analytical expressio ...

American Institute of Physics2017

Orientational ordering of water in extended hydration shells of cations is ion-specific and is correlated directly with viscosity and hydration free energy

Sylvie Roke, Yixing Chen, Halil Ibrahim Okur, Chung-Wen Liang

Specific ion effects in aqueous solutions are investigated at the molecular, nanoscopic and macroscopic levels. Femtosecond elastic second harmonic scattering (fs-ESHS) is used here to assess the chemical effects of ions on molecular and nanoscopic length ...

2017

Electronic Levels of Excess Electrons in Liquid Water

Alfredo Pasquarello, Giacomo Francesco Leonardo Miceli, Francesco Ambrosio

We provide a consistent description of the electronic levels associated with localized and delocalized excess electrons in liquid water by combining hybrid-functional molecular dynamics simulations with a grand canonical formulation of solutes in aqueous s ...

Amer Chemical Soc2017

Structure and dynamics of mesophilic variants from the homing endonuclease I-DmoI

I-DmoI, from the hyperthermophilic archaeon Desulfurococcus mobilis, belongs to the LAGLIDADG homing endonuclease protein family. Its members are highly specific enzymes capable of recognizing long DNA target sequences, thus providing potential tools for g ...

Springer2017

Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations

Pablo Miguel Piaggi, Michele Parrinello

Crystallization is a process of great practical relevance in which rare but crucial fluctuations lead to the formation of a solid phase starting from the liquid. As in all first order first transitions, there is an interplay between enthalpy and entropy. B ...

American Physical Society2017

A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC

Xile Hu, Lichen Bai, Tao Xu

[Fe]-hydrogenase hosts an iron-guanylylpyridinol (FeGP) cofactor. The FeGP cofactor contains a pyridinol ring substituted with GMP, two methyl groups, and an acylmethyl group. HcgC, an enzyme involved in FeGP biosynthesis, catalyzes methyl transfer from S- ...

2017

Development of a new family of phosphorous-free Pt-based bulk metallic glasses

Ludger Weber, Maïté Blank, Hamed Kazemi, Cyrill Werner Cattin

New BMGs exhibiting strong glass forming ability combined with high hardness have been developed based on the Pt-Si-B ternary system. The effects of partial substitution of platinum by transition metals of the group iron, cobalt, nickel, and copper, as wel ...

Elsevier2017

Complexation of [Gd(DTTA–Me)(H2O)2]− by Fluoride and Its Consequences to Water Exchange

Lothar Helm, Loïck Moriggi, Shima Karimi, Gail Ruth Hunter

The displacement of water molecule(s) from the inner coordination sphere of [Gd(DTTA–Me)(H2O)2]− (DTTA = ethylenetriamine-N,N,N″,N″-tetraacetate) by fluoride has been studied by multinuclear NMR relaxation (1H, 17O, 19F) and DFT calculations. Fluoride anio ...

American Chemical Society2016

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.