With Tag: Physical And Theoretical Chemistry

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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



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…


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 a...


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.


Probing the biophysical interplay between a viral genome and its capsid

W. H. Roos, J. Snijder, G. A. Marti, D. M. A. Guérin, G. J. L. Wuite, R. J. Rose, A. J. R. Heck, J. Agirre, R. Sanchez-Eugenia, C. Uetrecht
Nature Chemistry | 2013 | 10.1038/nchem.1627

The interaction between a viral capsid and its genome governs crucial steps in the life cycle of a virus, such as assembly and genome uncoating. Tuning cargo–capsid interactions is also essential for successful design and cargo delivery in engineered viral...


The effect of isotopic substitution on the chirality of a self-assembled helix

Maarten M. J. Smulders, Seda Cantekin, E. W. Meijer, Anja R. A. Palmans, Diederik W. R. Balkenende
Nature Chemistry | 2011 | 10.1038/nchem.889

N,N′,N″-trialkylbenzene-1,3,5-tricarboxamides (BTAs) self-assemble by means of strong, threefold α-helix-type intermolecular hydrogen bonding into well-defined, helical, one-dimensional columnar aggregates. When a stereogenic centre is introduced into the...


Organometallic chemistry: Activating in concert

Paul MacLellan
Nature Chemistry | 2014 | 10.1038/nchem.1866

Nature 505, 199–203 (2014) Making complex and highly functionalized molecules from simple, relatively unreactive substrates is a goal of many modern synthetic techniques. The development of protocols that activate C–H bonds for reaction have in recent years...


Electron microscopy: Gold rush

Claire Hansell
Nature Chemistry | 2014 | 10.1038/nchem.2079

Science 345, 909–912 (2014) For many molecules, organic and inorganic alike, X-ray crystallography is arguably the most reliable way to obtain detailed information on the positioning of atoms within the structure. However, crystallography, by definition,...


SnAP reagents for the one-step synthesis of medium-ring saturated N-heterocycles from aldehydes

Michael U. Luescher, Cam-Van T. Vo, Jeffrey W. Bode
Nature Chemistry | 2014 | 10.1038/nchem.1878

Interest in saturated N-heterocycles as scaffolds for the synthesis of bioactive molecules is increasing. Reliable and predictable synthetic methods for the preparation of these compounds, especially medium-sized rings, are limited. We describe the...


Protein melts: A new phase for protein chemistry

Douglas S. Clark
Nature Chemistry | 2010 | 10.1038/nchem.746

Proteins are most at home in water, although it has been known for some time that they can remain functional in non-aqueous environments. Researchers have now shown that in solvent-free melts, the oxygen-binding protein myoglobin adopts a near-native...


Ultrafast vibrational energy transfer at the water/air interface revealed by two-dimensional surface vibrational spectroscopy

Mischa Bonn, Lukasz Piatkowski, Huib J. Bakker, Zhen Zhang
Nature Chemistry | 2011 | 10.1038/nchem.1158

Water is very different from liquids of similar molecular weight, and one of its unique properties is the very efficient transfer of vibrational energy between molecules, which arises as a result of strong dipole–dipole interactions between the O–H...


Highly efficient photocatalytic oxygenation reactions using water as an oxygen source

Yong-Min Lee, Wonwoo Nam, Shunichi Fukuzumi, Hiroaki Kotani, Takashi Kishi
Nature Chemistry | 2011 | 10.1038/nchem.905

The effective utilization of solar energy requires photocatalytic reactions with high quantum efficiency. Water is the most abundant reactant that can be used as an oxygen source in efficient photocatalytic reactions, just as nature uses water in an oxygenic...


Blogroll: Fighting fear

Nature Chemistry | 2013 | 10.1038/nchem.1605

Changing the tune on chemistry's bad rap Chemophobia has led manufacturers and proprietors to advertise 'chemical-free' goods and services; it pops up in literature by activist groups like Safer Chemicals, Healthy Families — and has even infected popular...


Reactions of the inner surface of carbon nanotubes and nanoprotrusion processes imaged at the atomic scale

Johannes Biskupek, Jens Leschner, Andrei N. Khlobystov, Elena Bichoutskaia, Nicholas A. Besley, Ute Kaiser, Thomas W. Chamberlain, Adriano Santana, Jannik C. Meyer
Nature Chemistry | 2011 | 10.1038/nchem.1115

Although the outer surface of single-walled carbon nanotubes (atomically thin cylinders of carbon) can be involved in a wide range of chemical reactions, it is generally thought that the interior surface of nanotubes is unreactive. In this study, we show that...


An ultrasensitive universal detector based on neutralizer displacement

Paul E. Lee, Kristin B. Cederquist, Edward H. Sargent, Jagotamoy Das, Shana O. Kelley, Alexandre A. Zaragoza
Nature Chemistry | 2012 | 10.1038/nchem.1367

Diagnostic technologies that can provide the simultaneous detection of nucleic acids for gene expression, proteins for host response and small molecules for profiling the human metabolome will have a significant advantage in providing comprehensive patient...

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