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1703 Publications visible to you, out of a total of 1703
Kirkwood–Buff approach rescues overcollapse of a disordered protein in canonical protein force fields

Abstract

Not specified

Authors: Davide Mercadante, Sigrid Milles, Gustavo Fuertes, Dmitri I. Svergun, Edward A. Lemke, Frauke Gräter

Date Published: 2015

Publication Type: Journal

Origin of Orthogonality of Strain-Promoted Click Reactions

Abstract

Not specified

Authors: Johannes A. Wagner, Davide Mercadante, Ivana Nikić, Edward A. Lemke, Frauke Gräter

Date Published: 2015

Publication Type: Journal

Dynamic Allostery of the Catabolite Activator Protein Revealed by Interatomic Forces

Abstract

Not specified

Authors: Maxime Louet, Christian Seifert, Ulf Hensen, Frauke Gräter

Date Published: 2015

Publication Type: Journal

Plasticity of an ultrafast interaction between nucleoporins and nuclear transport receptors

Abstract

Not specified

Authors: Sigrid Milles, Davide Mercadante, Iker Valle Aramburu, Malene Ringkjøbing Jensen, Niccolò Banterle, Christine Köhler, Swati Tyagi, Jane Clarke, Sarah L Shammas, Martin Blackledge, others

Date Published: 2015

Publication Type: Journal

Mechanism of Focal Adhesion Kinase Mechanosensing

Abstract

Not specified

Authors: Jing Zhou, Camilo Aponte-Santamaría, Sebastian Sturm, Jakob Tómas Bullerjahn, Agnieszka Bronowska, Frauke Gräter

Date Published: 2015

Publication Type: Journal

Experimental Demonstration of pH-Dependent Electrostatic Catalysis of Radical Reactions

Abstract (Expand)

Time-dependent fluorescence spectroscopy has been used to demonstrate significant pH-dependent electrostatic effects on the kinetics and thermodynamics of hydrogen atom transfer between … 1-hydroxy-2,2,6,6-tetramethyl-4-piperidinecarboxylic acid (4-CT-H) and the profluorescent nitroxide {2,2,6,6-tetramethyl-4-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-piperidinyl}oxidanyl radical (PFN) in dichloromethane. This pH switching does not occur when 4-CT-H is replaced with a structurally analogous hydroxylamine that lacks an acid-base group, or when the polarity of the solvent is increased. These findings validate our recent theoretical predictions that electrostatic stabilisation of delocalised radicals is of functional significance in low polarity environments.

Authors: Marta Klinska, Leesa M. Smith, Ganna Gryn'ova, Martin G. Banwell, Michelle L. Coote

Date Published: 2015

Publication Type: Journal

Entropy-Driven Chain Effects on Ligation Chemistry

Abstract (Expand)

We report the investigation of fundamental entropic chain effects that enable the tuning of modular ligation chemistry – for example dynamic Diels–Alder (DA) reactions in materials applications – not … only classically via the chemistry of the applied reaction sites, but also via the physical and steric properties of the molecules that are being joined. Having a substantial impact on the reaction equilibrium of the reversible ligation chemistry, these effects are important when transferring reactions from small molecule studies to larger or other entropically very dissimilar systems. The effects on the DA equilibrium and thus the temperature dependent degree of debonding (%debond) of different cyclopentadienyl (di-)functional poly(meth-)acrylate backbones (poly(methyl methacrylate), poly(iso-butyl methacrylate), poly(tert-butyl methacrylate), poly(iso-butyl acrylate), poly(n-butyl acrylate), poly(tert-butyl acrylate), poly(methyl acrylate) and poly(isobornyl acrylate)), linked via a difunctional cyanodithioester (CDTE) were examined via high temperature (HT) NMR spectroscopy as well as temperature dependent (TD) SEC measurements. A significant impact of not only chain mass and length with a difference in the degree of debonding of up to 30% for different lengths of macromonomers of the same polymer type but – remarkably – as well the chain stiffness with a difference in bonding degrees of nearly 20% for isomeric poly(butyl acrylates) is found. The results were predicted, reproduced and interpreted via quantum chemical calculations, leading to a better understanding of the underlying entropic principles.

Authors: Kai Pahnke, Josef Brandt, Ganna Gryn'ova, Peter Lindner, Ralf Schweins, Friedrich Georg Schmidt, Albena Lederer, Michelle L. Coote, Christopher Barner-Kowollik

Date Published: 2015

Publication Type: Journal

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