Publications related to Chiral Biphenyldicarboxylic Acid Networks Stabilized by Hydrogen Bonding

A structure-guided fragment-based approach for the discovery of allosteric inhibitors targeting the lipophilic binding site of transcription factor EthR

A structure-guided fragment-based approach was used to target the lipophilic allosteric binding site of Mycobacterium tuberculosis EthR. This elongated channel has many hydrophobic residues lining the binding site, with few opportunities for hydrogen bondi ...

Portland Press Ltd2014

Evidence for hydrogen generation in laser- or spark-induced cavitation bubbles

Mohamed Farhat, Marc Tinguely

The growing use of focused lasers or electric sparks to generate cavitation bubbles raises concerns about the possible alteration of gas content during the initiation process and its effect on bubble dynamics. We provide experimental evidence that hydrogen ...

American Institute of Physics2013

Photodynamics of Lys+-Trp Protein Motifs: Hydrogen Bonds Ensure Photostability

Ursula Röthlisberger, Ivano Tavernelli, Matteo Guglielmi

Cation-pi interactions such as Lys(+)-Trp, are highly abundant structural motifs in proteins. Both, experimental and theoretical studies of small prototypical gas phase systems, H(+)Trp, H(+)Trp center dot(H2O)(n) and H+ Gly-Trp, indicate such an arrangeme ...

Royal Soc Chemistry2013

Varying molecular interactions by coverage in supramolecular surface chemistry

Klaus Kern, Magalí Alejandra Lingenfelder, Giovanni Costantini

The possibility of modifying the intermolecular interactions of absorbed benzene-carboxylic acids from coordination to hydrogen bonding by changing their surface coverage is demonstrated through a combination of scanning tunnelling microscopy, X-ray photo- ...

2012

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

Thomas Rizzo, Natalia Nagornova

Studying solvation of a large molecule on an atomic level is challenging because of the transient character and inhomogeneity of hydrogen bonding in liquid water. We studied water clusters of a protonated macrocyclic decapeptide, gramicidin S, which were p ...

2012

Complex Interplay and Hierarchy of Interactions in Two-Dimensional Supramolecular Assemblies

Harald Brune, Marta Canas Ventura

In order to address the interplay of hydrogen bonding, dipolar interactions, and metal coordination, we have investigated the two-dimensional mono- and bicomponent self-assembly of three closely related diaminotriazine-based molecular building blocks and a ...

American Chemical Society2011

An Internal Fluorescent Probe Based on Anthracene to Evaluate Cation-Anion Interactions in Imidazolium Salts

Paul Joseph Dyson, Rosario Scopelliti, Zhaofu Fei, Christian Hartinger, Wee Han Ang, Xuemei Yang

A series of fluorescent imidazolium-based salts contg. the cation [AnCH2MeIm]+ (in which An=anthracene and Im=the imidazolium cation) with Cl-, BF4-, PF6-, SO3CF3-, [N(CN)2]-, [N(SO2CF3)2]-, or PhBF3- anions have been prepd. and characterized. X-ray diffra ...

2010

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Pierre Vogel, Dean Markovic

The potential energy surfaces of the desulfinylation of prop-2-enesulfinic acid (13) in CH2Cl2 solution at -15 degrees C have been explored by quantum calculations and analyzed with kinetic data obtained for the reaction in absence or presence of additives ...

2009

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Albert Renken, Lioubov Kiwi, Martin Grasemann

Systematic studies of mass transfer interactions with intrinsic reaction kinetics were performed for the threephase selective hydrogenation of 2-methyl-3-butyn-2-ol (MBY) to 2-methyl-3-buten-2-ol (MBE) over a modified Pd/CaC

{O}_{3}

catalyst under solvent ...

2008

Proton dynamics in superprotonic CsHSO(4)

Nicola Marzari

We present a detailed study of proton dynamics in the hydrogen-bonded superprotonic conductor CsHSO(4) from first-principles molecular dynamics simulations, isolating the subtle interplay between the dynamics of the O-H chemical bonds, the O center dot cen ...

2007

Chiral Biphenyldicarboxylic Acid Networks Stabilized by Hydrogen Bonding

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A structure-guided fragment-based approach for the discovery of allosteric inhibitors targeting the lipophilic binding site of transcription factor EthR

Evidence for hydrogen generation in laser- or spark-induced cavitation bubbles

Photodynamics of Lys+-Trp Protein Motifs: Hydrogen Bonds Ensure Photostability

Varying molecular interactions by coverage in supramolecular surface chemistry

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

Complex Interplay and Hierarchy of Interactions in Two-Dimensional Supramolecular Assemblies

An Internal Fluorescent Probe Based on Anthracene to Evaluate Cation-Anion Interactions in Imidazolium Salts

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Proton dynamics in superprotonic CsHSO(4)

Evidence for hydrogen generation in laser- or spark-induced cavitation bubbles

Photodynamics of Lys+-Trp Protein Motifs: Hydrogen Bonds Ensure Photostability

Varying molecular interactions by coverage in supramolecular surface chemistry

A structure-guided fragment-based approach for the discovery of allosteric inhibitors targeting the lipophilic binding site of transcription factor EthR

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

Complex Interplay and Hierarchy of Interactions in Two-Dimensional Supramolecular Assemblies

An Internal Fluorescent Probe Based on Anthracene to Evaluate Cation-Anion Interactions in Imidazolium Salts

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Proton dynamics in superprotonic CsHSO(4)