Royal Society of Chemistry

Allylic and Benzylic sp3 C-H Oxidation in Water

Org. and Biomol. Chem. - 19 November, 2014 - 15:54
Org. Biomol. Chem., 2014, Accepted Manuscript
DOI: 10.1039/C4OB02017K, PaperWei-Jie Ang, Yulin Lam
A copper-catalyzed method for the oxidation of allylic and benzylic sp3 C-H by aqueous tert-butyl hydroperoxide (TBHP) in water using a recyclable fluorous ligand has been developed. The reaction procedure...
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Self-organizing behaviour of glycosteroidal bolaphiles: insights into lipidic microsegregation

Org. and Biomol. Chem. - 19 November, 2014 - 15:54

Org. Biomol. Chem., 2014, Advance Article
DOI: 10.1039/C4OB02191F, PaperR. Xu, F. Ali-Rachedi, N. M. Xavier, S. Chambert, F. Ferkous, Y. Queneau, S. J. Cowling, E. J. Davis, J. W. Goodby
The synthesis of glycosteroidal bolaphile biomimics are described along with the liquid-crystalline behaviours as a function of increasing aliphatic composition.
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Palladium(0)-catalyzed synthesis of cyclic glucosides

Org. and Biomol. Chem. - 19 November, 2014 - 15:54

Org. Biomol. Chem., 2014, Advance Article
DOI: 10.1039/C4OB01975J, PaperXin Huang, Chunling Fu, Shengming Ma
A highly regio- and stereo-selective synthesis of cyclic [small beta]-D-glucosides 3 via Pd(0)-catalyzed coupling cyclization of allenyl [small beta]-D-glucoside 1 and organic iodides in 20-38% yields is reported.
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Hyperbranched polymer vesicles: from self-assembly, characterization, mechanisms, and properties to applications

Chem. Soc. Rev. - 19 November, 2014 - 14:17

Chem. Soc. Rev., 2015, Advance Article
DOI: 10.1039/C4CS00274A, Tutorial ReviewWenfeng Jiang, Yongfeng Zhou, Deyue Yan
This tutorial review summarizes the first 10 years of work on hyperbranched polymer vesicles from syntheses, self-assembly, and properties to applications.
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Biodegradable stimuli-responsive polypeptide materials prepared by ring opening polymerization

Chem. Soc. Rev. - 19 November, 2014 - 14:17

Chem. Soc. Rev., 2014, Advance Article
DOI: 10.1039/C4CS00271G, Tutorial ReviewYong Shen, Xiaohui Fu, Wenxin Fu, Zhibo Li
This tutorial review summarizes the most recent progress in stimuli-responsive polypeptides over the past decade.
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Light upconverting core-shell nanostructures: nanophotonic control for emerging applications

Chem. Soc. Rev. - 19 November, 2014 - 14:17

Chem. Soc. Rev., 2015, Advance Article
DOI: 10.1039/C4CS00170B, Review ArticleGuanying Chen, Hans Agren, Tymish Y. Ohulchanskyy, Paras N. Prasad
Nanophotonic control of light upconversion in the hierarchical core-shell nanostructures, their biomedical, solar energy and security encoding applications were reviewed.
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Two-dimensional sum-frequency generation (2D SFG) spectroscopy: Summary of principles and its application to amyloid fiber monolayers

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00173G, PaperAyanjeet Ghosh, Jia-Jung Ho, Arnaldo Luis Serrano, David Ryan Skoff, Tianqi Zhang, Martin Zanni
By adding a mid-infrared pulse shaper to a sum-frequency generation (SFG) spectrometer, we have built a 2D SFG spectrometer capable of measuring spectra analogous to 2D IR spectra but with...
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Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,343-357
DOI: 10.1039/C4FD00012A, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.John A. Baker, Jonathan. D. Hirst
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Allosteric pathway identification through network analysis: from molecular dynamics simulations to interactive 2D and 3D graphs

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,303-321
DOI: 10.1039/C4FD00024B, PaperAriane Allain, Isaure Chauvot de Beauchene, Florent Langenfeld, Yann Guarracino, Elodie Laine, Luba Tchertanov
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Studying chemical reactivity in a virtual environment

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,89-118
DOI: 10.1039/C4FD00021H, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Moritz P. Haag, Markus Reiher
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Computing power revolution and new algorithms: GP-GPUs, clouds and more: general discussion

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,379-401
DOI: 10.1039/C4FD90021A, Discussion
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Applications and serious games: from docking to protein folding: general discussion

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,501-519
DOI: 10.1039/C4FD90022G, Discussion
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Advanced visualization and visual analytics: general discussion

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,245-264
DOI: 10.1039/C4FD90020K, Discussion
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Molecular simulations and visualization: introduction and overview

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,9-22
DOI: 10.1039/C4FD90024C, PaperJonathan D. Hirst, David R. Glowacki, Marc Baaden
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Virtual and augmented reality immersive molecular simulations: general discussion

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,143-166
DOI: 10.1039/C4FD90019G, Discussion
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3D molecular models of whole HIV-1 virions generated with cellPACK

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,23-44
DOI: 10.1039/C4FD00017J, PaperGraham T. Johnson, David S. Goodsell, Ludovic Autin, Stefano Forli, Michel F. Sanner, Arthur J. Olson
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Impressions by a dinosaur - summary of Faraday discussion 169: molecular simulations and visualization

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,521-527
DOI: 10.1039/C4FD00130C, PaperFrederick P. Brooks, Jr
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Immune Attack players perform better on a test of cellular immunology and self confidence than their classmates who play a control video game

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,403-423
DOI: 10.1039/C4FD00014E, PaperMelanie Stegman
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Density based visualization for molecular simulation

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,225-243
DOI: 10.1039/C3FD00124E, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Dmitri Rozmanov, Svetlana Baoukina, D. Peter Tieleman
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Exploring genomes with a game engine

Faraday Disc. - 19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,443-453
DOI: 10.1039/C3FD00152K, PaperJeremiah J. Shepherd, Lingxi Zhou, William Arndt, Yan Zhang, W. Jim Zheng, Jijun Tang
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