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FD 178: Relaxation dynamics of a quantum emitter resonantly coupled to a coherent state of localized surface plasmon

Faraday Disc. - 17 November, 2014 - 12:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00165F, PaperKhachatur V Nerkararyan, Sergey Bozhevolnyi
We investigate relaxation dynamics of a quantum dipole emitter (QDE), e.g., a molecule or quantum dot, located near a metal nanoparticle (MNP) exhibiting a dipolar localized surface plasmon (LSP) resonance...
The content of this RSS Feed (c) The Royal Society of Chemistry

Visual analysis for space-time aggregation of biomolecular simulations

Faraday Disc. - 17 November, 2014 - 12:54
Faraday Discuss., 2014, 169,167-178
DOI: 10.1039/C3FD00156C, PaperThomas Ertl, Michael Krone, Stefan Kesselheim, Katrin Scharnowski, Guido Reina, Christian Holm
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Visualising intrinsic disorder and conformational variation in protein ensembles

Faraday Disc. - 17 November, 2014 - 12:54
Faraday Discuss., 2014, 169,179-193
DOI: 10.1039/C3FD00138E, PaperJulian Heinrich, Michael Krone, Sean I. O'Donoghue, Daniel Weiskopf
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ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations

Faraday Disc. - 17 November, 2014 - 12:54
Faraday Discuss., 2014, 169,119-142
DOI: 10.1039/C3FD00142C, PaperMatthieu Dreher, Jessica Prevoteau-Jonquet, Mikael Trellet, Marc Piuzzi, Marc Baaden, Bruno Raffin, Nicolas Ferey, Sophie Robert, Sebastien Limet
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Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly

Faraday Disc. - 17 November, 2014 - 12:54
Faraday Discuss., 2014, 169,45-62
DOI: 10.1039/C3FD00134B, PaperA.-E. Molza, N. Ferey, M. Czjzek, E. Le Rumeur, J.-F. Hubert, A. Tek, B. Laurent, M. Baaden, O. Delalande
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Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and space

Faraday Disc. - 17 November, 2014 - 12:54
Faraday Discuss., 2014, 169,285-302
DOI: 10.1039/C3FD00159H, PaperEvgen Pavlov, Makoto Taiji, Arturs Scukins, Anton Markesteijn, Sergey Karabasov, Dmitry Nerukh
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Take 1… minute for chemistry in health

Chemistry World blog (RSC) - 17 November, 2014 - 10:00

Guest post by Isobel Hogg, Royal Society of Chemistry

Can you explain the importance of chemistry to human health in just one minute? If you’re an early-career researcher who is up to the challenge, making a one  minute video could win you £500.

The chemical sciences will be fundamental in helping us meet the healthcare challenges of the future, and we at the Royal Society of Chemistry are committed to ensuring that they contribute to their full potential. As part of our work in this area, we are inviting undergraduate and PhD students, post-docs and those starting out their career in industry to produce an original video that demonstrates the importance of chemistry in health.

We are looking for imaginative ways of showcasing how chemistry helps us address healthcare challenges. Your video should be no longer than one minute, and you can use any approach you like.

The winner will receive a £500 cash prize, with a £250 prize for second place and £150 prize for third place up for grabs too.

Stuck for inspiration? Last year’s winning video is a good place to start. John Gleeson’s video was selected based on the effective use of language, dynamic style, creativity and its accurate content.

The closing date for entries to be submitted is 30 January 2015. Our judging panel will select the top five videos. We will then publish the shortlisted videos online and open the judging to the public to determine the winner and the runners up.

For more details on how to enter the competition and who is eligible, join us at the Take 1… page.

Good luck!

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Categories: Education

Photoredox Catalysis in a Complex Pharmaceutical Setting: Toward the Preparation of JAK2 Inhibitor LY2784544

J. Org. Chem. - 17 November, 2014 - 05:54

TOC Graphic

The Journal of Organic ChemistryDOI: 10.1021/jo502288q

Noble Gas Monoxides Stabilized in a Dipolar Cavity: A Theoretical Study

J. Phys. Chem. A - 17 November, 2014 - 05:18

TOC Graphic

The Journal of Physical Chemistry ADOI: 10.1021/jp508786y

The direct [small alpha]-C(sp3)-H functionalisation of N-aryl tetrahydroisoquinolines via an iron-catalysed aerobic nitro-Mannich reaction and continuous flow processing

Chem. Commun. - 16 November, 2014 - 20:17

Chem. Commun., 2014, Advance Article
DOI: 10.1039/C4CC07913B, CommunicationMartin Brzozowski, Jose A. Forni, G. Paul Savage, Anastasios Polyzos
An efficient nitro-Mannich type direct [small alpha]-C(sp3)-H functionalisation of N-aryl-1,2,3,4-tetrahydroisoquinolines catalysed by simple iron salts in combination with O2 as the terminal oxidant is described.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Using dispersion-corrected density functional theory to understand supramolecular binding thermodynamics

Chem. Commun. - 16 November, 2014 - 20:17
Chem. Commun., 2014, Accepted Manuscript
DOI: 10.1039/C4CC06722C, Feature ArticleJens Antony, Rebecca Sure, Stefan Grimme
A recently published theoretical approach employing a nondynamic structure model using dispersion-corrected density functional theory (DFT-D3) to calculate equilibrium free energies of association (Chem. Eur. J., 2012, 18, 9955-9964) is...
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Reductive Electropolymerization of N-methyl-3-pyridylethynyl-porphyrins

Chem. Commun. - 16 November, 2014 - 20:17
Chem. Commun., 2014, Accepted Manuscript
DOI: 10.1039/C4CC08157A, CommunicationSung-Chou Huang, Ching-Yao Lin
Cyclic voltammograms, UV-visible and FT-IR spectra show that porphyrins with two N-methyl-3-pyridylethynyl substituents can undergo reductive electropolymerization onto Pt and ITO electrodes. The films are redox active and a mechanism...
The content of this RSS Feed (c) The Royal Society of Chemistry

Indium(III) chloride catalyzed highly diastereoselective domino synthesis of indenodithiepines and indenodithiocines

Chem. Commun. - 16 November, 2014 - 20:17
Chem. Commun., 2014, Accepted Manuscript
DOI: 10.1039/C4CC07280D, CommunicationSengodagounder Muthusamy, Manickasamy Sivaguru, Dr.Suresh Eringathodi
An atom-economical diastereoselective synthesis of indenodithiepines and indenodithiocines has been developed via domino reaction of propargylic alcohols and dithioacetals in the presence of InCl3 as a catalyst. A range of...
The content of this RSS Feed (c) The Royal Society of Chemistry

A simple bioluminescent method for measuring D-amino acid oxidase activity

Chem. Commun. - 16 November, 2014 - 20:17

Chem. Commun., 2015, Advance Article
DOI: 10.1039/C4CC08145E, CommunicationOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.T. Spencer Bailey, Micah T. Donor, Sean P. Naughton, Michael D. Pluth
A bioluminescent method for measuring D-amino acid oxidase (DAO) activity was developed based on the luciferin/luciferase reporting platform.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Saccharide and Temperature Dual-Responsive Hydrogel Layer for Harvesting Cell Sheet

Chem. Commun. - 16 November, 2014 - 20:17
Chem. Commun., 2014, Accepted Manuscript
DOI: 10.1039/C4CC08183H, CommunicationBinbing Guo, Guoqing Pan, Qianping Guo, Caihong Zhu, Wenguo Cui, Bin Li, Huilin Yang
Saccharide and temperature dual-responsive hydrogels have been prepared based on PNIPAAm copolymers containing phenylboronic acid (PBA) groups and used for harvesting cell sheet. The cell sheet could be released from...
The content of this RSS Feed (c) The Royal Society of Chemistry

Ultraviolet and Blue Emitting Graphene Quantum Dots Synthesized from Carbon Nano-Onions and Comparison for Metal Ion Sensing

Chem. Commun. - 16 November, 2014 - 20:17
Chem. Commun., 2014, Accepted Manuscript
DOI: 10.1039/C4CC07618D, CommunicationYiyang Liu, Doo Young Kim
Ultraviolet and blue emitting graphene quantum dots (GQDs) were synthesized by chemical oxidation of carbon nano-onions. TEM, AFM, XPS, and optical characterizations showed that different optical properties of UV- and...
The content of this RSS Feed (c) The Royal Society of Chemistry

Metal-free oxidative C(sp3)-H bond functionalization of alkanes and alkylation-initiated radical 1,2-aryl migration in [small alpha],[small alpha]-diaryl allylic alcohols

Chem. Commun. - 16 November, 2014 - 20:17
Chem. Commun., 2014, Accepted Manuscript
DOI: 10.1039/C4CC07654K, CommunicationJincan Zhao, Hong Fang, Ruichun Song, Jie Zhou, Jianlin Han, Yi Pan
An oxidative C(sp3)-H bond functionalization of alkanes and alkylation-initiated radical 1,2-aryl migration of [small alpha],[small alpha]-diaryl allylic alcohols using di-tert-butyl peroxide (DTBP) as the oxidant was established, which tolerates a wide range...
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Triplet-Triplet Annihilation Upconversion from Rationally Designed Polymeric Emitters with Tunable Inter-Chromophore Distances

Chem. Commun. - 16 November, 2014 - 20:17
Chem. Commun., 2014, Accepted Manuscript
DOI: 10.1039/C4CC07589G, CommunicationXinjun Yu, Xian Cao, Xiaoping Chen, Neil Ayres, Peng Zhang
We report an investigation of triplet-triplet annihilation upconversion (TTA-UC) based on polymeric emitters with tunable inter-chromophore distances. Poly[(9-anthrylmethyl methacrylate)-co-(methyl methacrylate)] (Poly(AnMMA-co-MMA)) with different percentages of AnMMA were synthesized using reversible...
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