With Tag: Physical And Theoretical Chemistry

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Influence of Antifreeze Proteins on the Ice/Water Interface

Guido Todde, Aatto Laaksonen, Sven Hovmöller
J. Phys. Chem. B | 2015 | 10.1021/jp5119713

Antifreeze proteins (AFP) are responsible for the survival of several species, ranging from bacteria to fish, that encounter subzero temperatures in their living environment. AFPs have been divided into two main families, moderately and hyperactive, depending...


Forensic detection: Fingerprints fixed

Nature Chemistry | 2008 | 10.1038/nchem.83



Bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium Radical Cation:  A Theoretical Validation of a Bishomoaromatic Radical Cation Intermediate

Sten Lunell, Per-Erik Larsson, Nessima Salhi-Benachenhou
Org. Lett. | 2003 | 10.1021/ol034272t

A natural bond orbital analysis of the distonic bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium radical cation interprets its structure and radical character by a three-center two-electron bond between C2, C3, and C7 (a bishomoaromatic stabilization) and a singly...


Gas phase spectroscopic and dynamical studies at Free-Electron Lasers and other short wavelength sources

Lorenzo Avaldi, Michael Meyer
Journal of Electron Spectroscopy and Related Phenomena | 2015 | 10.1016/j.elspec.2015.09.003



Total synthesis of (5S)-dihydroyashabushiketol

Jan Romanski, Piotr Nowak, Christian Chapuis, Janusz Jurczak
Tetrahedron: Asymmetry | 2011 | 10.1016/j.tetasy.2011.04.014



Protein displacements under external forces: An atomistic Langevin dynamics approach

David Gnandt, Nadine Utz, Alexander Blumen, Thorsten Koslowski
The Journal of Chemical Physics | 2009 | 10.1063/1.3077005



Multiple steady states, complex oscillations, and the devil’s staircase in the peroxidase–oxidase reaction

Raima Larter, Christopher L. Bush, Timothy R. Lonis, Baltazar D. Aguda
The Journal of Chemical Physics | 1987 | 10.1063/1.453550



Carbon-based curiosities

Stuart Cantrill
Nature Chemistry | 2009 | 10.1038/nchem.219

Diamonds may be forever, but are some other forms of carbon merely passing fads? Stuart Cantrill considers why carbon often seems to be a chemist's best friend.


Reactions at your fingertips

Jon T. Njardarson
Nature Chemistry | 2012 | 10.1038/nchem.1416

Smart phones and tablets have revolutionized how we communicate, access and use information, work, travel, play and learn. Chemistry education and the field of chemistry have not surprisingly been positively impacted by this technology…


Chiral information harvesting in dendritic metallopeptides

Hiroki Iida, Yuki Takeyama, Naoki Ousaka, Eiji Yashima
Nature Chemistry | 2011 | 10.1038/nchem.1146

Long-range communication of stereochemical information is common in biological systems, particularly in enzyme-catalysed reactions. Here, we report the remote control of the dynamic chirality of metal centres, coordinated by 2,2′-bipyridine ligands bearing...


Sub-ångström-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate

Karl M. Erixon, Ronald Kluger, Ralf Ficner, Kai Tittmann, Stefan Lüdtke, Piotr Neumann, Finian Leeper
Nature Chemistry | 2013 | 10.1038/nchem.1728

It is recognized widely that enzymes promote reactions by providing a pathway that proceeds through a transition state of lower energy. In principle, further rate enhancements could be achieved if intermediates are prevented from relaxing to their lowest...


Remote-controlled experiments with cloud chemistry

Richard A. Bourne, Jairton Dupont, Zacharias Amara, Raphael Horvath, Emilia Streng, Nigist Asfaw, Eduardo Pérez, Ryan A. Skilton, Jing Jin, Michael J. Scully, Guilherme L. P. Aydos, Jiawei Wang, Gurbuz Comak, Michael W. George, Martyn Poliakoff, Samantha L. Y. Tang, Peter A. Summers
Nature Chemistry | 2015 | 10.1038/nchem.2143

Developing cleaner chemical processes often involves sophisticated flow-chemistry equipment that is not available in many economically developing countries. For reactions where it is the data that are important rather than the physical product, the networking...


A potential energy surface bifurcation in terpene biosynthesis

Young J. Hong, Dean J. Tantillo
Nature Chemistry | 2009 | 10.1038/nchem.287

Terpenes comprise a class of natural products that includes molecules with thousands of distinct structurally and stereochemically complex molecular architectures. The core hydrocarbon frameworks of these molecules are constructed via carbocation...


Heterogeneous catalysis: Teaching an old material new tricks

Elio Giamello
Nature Chemistry | 2012 | 10.1038/nchem.1486

A classic calcium aluminate has been modified to create an inorganic electride that can be used as a promoter of the catalytic synthesis of ammonia.


Iron complexes: Rieske business

Laura Croft
Nature Chemistry | 2009 | 10.1038/nchem.280

Iron–sulfur clusters are common cofactors in biological systems and are involved in a range of functions, including electron transfer, substrate binding and activation. These clusters are usually ligated by the cysteine residues of a protein, but there are...


Diphosphenido ligands: Short and straight

Neil Withers
Nature Chemistry | 2009 | 10.1038/nchem.293

There has been only one example reported so far of a terminal phosphorus monoxide complex. The chemistry of this functional group, therefore, is unexplored compared with others containing main-group elements.


Rapid assembly of complex cyclopentanes employing chiral, α,β-unsaturated acylammonium intermediates

Khoi N. Van, Morgan E. Shirley, Daniel Romo, Rae Lynn McFarlin, Gang Liu
Nature Chemistry | 2013 | 10.1038/nchem.1788

With the intention of improving synthetic efficiency, organic chemists have turned to bioinspired organocascade or domino processes that generate multiple bonds and stereocentres in a single operation. However, despite the great importance of substituted...


Biosynthesis of the tunicamycin antibiotics proceeds via unique exo-glycal intermediates

Seung Seo Lee, Filip J. Wyszynski, Mervyn J. Bibb, Gideon J. Davies, Juan Pablo Gomez-Escribano, Benjamin G. Davis, Hua Wang, Tomoaki Yabe, Soo Jae Lee
Nature Chemistry | 2012 | 10.1038/nchem.1351

The tunicamycins are archetypal nucleoside antibiotics targeting bacterial peptidoglycan biosynthesis and eukaryotic protein N-glycosylation. Understanding the biosynthesis of their unusual carbon framework may lead to variants with improved selectivity....


Powering the planet with solar fuel

Harry B. Gray
Nature Chemistry | 2009 | 10.1038/nchem.141

With energy swiftly rising to the top of the world's agenda, Harry B. Gray at the California Institute of Technology looks at how chemistry can help to harness the power of the Sun to meet the world's energy needs.


Platinum corrosion: A common layer

Anne Pichon
Nature Chemistry | 2009 | 10.1038/nchem.161

Halogens are commonly used to initiate changes on platinum surfaces for the preparation of catalysts. They are also involved in electrode etching, a selective corrosion process used to prepare devices such as semiconductors — but the halogen–platinum...

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