Top 25 Chemical Science articles January–March 2015

The 25 most-downloaded Chemical Science articles in the first quarter of 2015 were as follows: 

Rhodium-catalyzed C–H functionalization-based approach to eight-membered lactams
Shangze Wu, Rong Zeng, Chunling Fu, Yihua Yu, Xue Zhang and Shengming Ma
Chem. Sci., 2015,6, 2275-2285, DOI: 10.1039/C5SC00092K, Edge Article 

Exploiting parameter space in MOFs: a 20-fold enhancement of phosphate-ester hydrolysis with UiO-66-NH2
Michael J. Katz, Su-Young Moon, Joseph E. Mondloch, M. Hassan Beyzavi, Casey J. Stephenson, Joseph T. Hupp and Omar K. Farha
Chem. Sci., 2015,6, 2286-2291, DOI: 10.1039/C4SC03613A, Edge Article 

Metal oxidation states in biological water splitting
Vera Krewald, Marius Retegan, Nicholas Cox, Johannes Messinger, Wolfgang Lubitz, Serena DeBeer, Frank Neese and Dimitrios A. Pantazis
Chem. Sci., 2015,6, 1676-1695, DOI: 10.1039/C4SC03720K, Edge Article 

Solid state organic amine detection in a photochromic porous metal organic framework
Arijit Mallick, Bikash Garai, Matthew A. Addicoat, Petko St. Petkov, Thomas Heine and Rahul Banerjee
Chem. Sci., 2015,6, 1420-1425, DOI: 10.1039/C4SC03224A, Edge Article 

C–H arylation of triphenylene, naphthalene and related arenes using Pd/C
Karl D. Collins, Roman Honeker, Suhelen Vásquez-Céspedes, Dan-Tam D. Tang and Frank Glorius
Chem. Sci., 2015,6, 1816-1824, DOI: 10.1039/C4SC03051F, Edge Article 

Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water
Dan Dumitrescu, Yves-Marie Legrand, Eddy Petit, Arie van der Lee and Mihail Barboiu
Chem. Sci., 2015,6, 2079-2086, DOI: 10.1039/C4SC03945A, Edge Article 

Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly
Anna G. Slater, Ya Hu, Lixu Yang, Stephen P. Argent, William Lewis, Matthew O. Blunt and Neil R. Champness
Chem. Sci., 2015,6, 1562-1569, DOI: 10.1039/C4SC03531C, Edge Article 

Structure–activity relationship studies of cyclopropenimines as enantioselective Brønsted base catalysts
Jeffrey S. Bandar, Alexandre Barthelme, Alon Y. Mazori and Tristan H. Lambert
Chem. Sci., 2015,6, 1537-1547, DOI: 10.1039/C4SC02402H, Edge Article 

Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics
Eric T. Hoke, Daniel J. Slotcavage, Emma R. Dohner, Andrea R. Bowring, Hemamala I. Karunadasa and Michael D. McGehee
Chem. Sci., 2015,6, 613-617, DOI: 10.1039/C4SC03141E, Edge Article 

Macrocycles: lessons from the distant past, recent developments, and future directions
Andrei K. Yudin
Chem. Sci., 2015,6, 30-49, DOI: 10.1039/C4SC03089C, Perspective 

Rh(III)-catalyzed C–H olefination of N-pentafluoroaryl benzamides using air as the sole oxidant
Yi Lu, Huai-Wei Wang, Jillian E. Spangler, Kai Chen, Pei-Pei Cui, Yue Zhao, Wei-Yin Sun and Jin-Quan Yu
Chem. Sci., 2015,6, 1923-1927, DOI: 10.1039/C4SC03350G, Edge Article 

A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis
Jeffrey M. Farrell, Roy T. Posaratnanathan and Douglas W. Stephan
Chem. Sci., 2015,6, 2010-2015, DOI: 10.1039/C4SC03675A, Edge Article 

Platinum-decorated carbon nanotubes for hydrogen oxidation and proton reduction in solid acid electrochemical cells
V. Sara Thoi, Robert E. Usiskin and Sossina M. Haile
Chem. Sci., 2015,6, 1570-1577, DOI: 10.1039/C4SC03003F, Edge Article 

Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines
Michael H. Holthausen, Rashi R. Hiranandani and Douglas W. Stephan
Chem. Sci., 2015,6, 2016-2021, DOI: 10.1039/C5SC00051C, Edge Article 

Computational design of molecules for an all-quinone redox flow battery
Süleyman Er, Changwon Suh, Michael P. Marshak and Alán Aspuru-Guzik
Chem. Sci., 2015,6, 885-893, DOI: 10.1039/C4SC03030C, Edge Article 

Topochemical conversion of a dense metal–organic framework from a crystalline insulator to an amorphous semiconductor
S. Tominaka, H. Hamoudi, T. Suga, T. D. Bennett, A. B. Cairns and A. K. Cheetham
Chem. Sci., 2015,6, 1465-1473, DOI: 10.1039/C4SC03295K, Edge Article 

A comprehensive test set of epoxidation rate constants for iron(IV)–oxo porphyrin cation radical complexes
Mala A. Sainna, Suresh Kumar, Devesh Kumar, Simonetta Fornarini, Maria Elisa Crestoni and Sam P. de Visser
Chem. Sci., 2015,6, 1516-1529, DOI: 10.1039/C4SC02717E, Edge Article 

Carbon–hydrogen (C–H) bond activation at PdIV: a Frontier in C–H functionalization catalysis
Joseph J. Topczewski and Melanie S. Sanford
Chem. Sci., 2015,6, 70-76, DOI: 10.1039/C4SC02591A, Minireview 

Synthesis by extrusion: continuous, large-scale preparation of MOFs using little or no solvent
Deborah Crawford, José Casaban, Robert Haydon, Nicola Giri, Tony McNally and Stuart L. James
Chem. Sci., 2015,6, 1645-1649, DOI: 10.1039/C4SC03217A, Edge Article 

Fluorescent/phosphorescent dual-emissive conjugated polymer dots for hypoxia bioimaging
Qiang Zhao, Xiaobo Zhou, Tianye Cao, Kenneth Yin Zhang, Lijuan Yang, Shujuan Liu, Hua Liang, Huiran Yang, Fuyou Li and Wei Huang
Chem. Sci., 2015,6, 1825-1831, DOI: 10.1039/C4SC03062A, Edge Article 

Cu-catalyzed transannulation reaction of pyridotriazoles with terminal alkynes under aerobic conditions: efficient synthesis of indolizines
V. Helan, A. V. Gulevich and V. Gevorgyan
Chem. Sci., 2015,6, 1928-1931, DOI: 10.1039/C4SC03358B, Edge Article 

Highly efficient one-pot/one-step synthesis of multiblock copolymers from three-component polymerization of carbon dioxide, epoxide and lactone
Yang Li, Jiali Hong, Renjian Wei, Yingying Zhang, Zaizai Tong, Xinghong Zhang, Binyang Du, Junting Xu and Zhiqiang Fan
Chem. Sci., 2015,6, 1530-1536, DOI: 10.1039/C4SC03593C, Edge Article 

A hydrazone-based covalent organic framework for photocatalytic hydrogen production
Linus Stegbauer, Katharina Schwinghammer and Bettina V. Lotsch
Chem. Sci., 2014,5, 2789-2793, DOI: 10.1039/C4SC00016A, Edge Article 

Formation of a C–C double bond from two aliphatic carbons. Multiple C–H activations in an iridium pincer complex
Alexey V. Polukeev, Rocío Marcos, Mårten S. G. Ahlquist and Ola F. Wendt
Chem. Sci., 2015,6, 2060-2067, DOI: 10.1039/C4SC03839H, Edge Article 

On the formation of anions: frequency-, angle-, and time-resolved photoelectron imaging of the menadione radical anion
James N. Bull, Christopher W. West and Jan R. R. Verlet
Chem. Sci., 2015,6, 1578-1589, DOI: 10.1039/C4SC03491K, Edge Article 

These articles are all free to download until 6th July. Access is free through a registered RSC account – click here to register 


 

Chemical Science is the Royal Society of Chemistry’s flagship journal, publishing research articles of exceptional significance and high-impact reviews from across the chemical sciences. It has been Gold Open Access since January 2015. The journal’s latest (2013) Impact Factor is 8.6. 

Submit your exceptional research to Chemical Science today!

Stay up to date with Chemical Science

Be among the first to hear about the newest articles being published – Sign-up to our journal news alert to receive information about most read articles, journal news, as well as calls for papers and invitations.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Chemical Science welcomes Alán Aspuru-Guzik as Associate Editor

Chemical Science is delighted to announce the addition of another Associate Editor: Professor Alán Aspuru-Guzik of Harvard University, who is now handling submissions in the area of theoretical chemistry.

Biography
Professor Aspuru-Guzik joined Harvard University in 2006 and has been a full professor there since 2013 (the same year in which he received the ACS Early Career Award in Theoretical Chemistry). Prior to joining Harvard, Alán spent a couple of years as a postdoctoral researcher at the University of California, Berkeley, where he also completed his PhD in Physical Chemistry. He holds a BSc in Chemistry from the Universidad Nacional Autónoma de México.

Research
Alán leads the Aspuru-Guzik Research Group, a theoretical physical chemistry group in the Department of Chemistry and Chemical Biology at Harvard University. The group’s research focuses on:

  • The Clean Energy Project: a theory-driven search for the next generation of organic solar cell materials
  • Excitonics: aiming to understand, control, and harness electronic excitations in nanoscale environments
  • Quantum Simulation: developing digital and analogue quantum simulators for quantum chemistry, in order to enhance understanding of complicated electronic structures and molecules
  • Open Quantum Systems and Quantum Algorithms: developing efficient quantum algorithms for quantum simulation of chemical systems, reaction dynamics, and state preparation, and developing methods by which these algorithms can be successfully carried out on quantum computers
  • Electronic Structure Theory: developing methods to apply quantum chemical calculations to the description of new types of quantum processes

Alán is very interested in the design of novel materials for renewable energy in general. He recently had a breakthrough in screening for practical organic molecules for flow batteries. The theoretical aspects related to that work were published in Chemical Science as a cover article.

Chemical Science: Alan’s choice
We asked Alan to send us his pick of Chemical Science articles in the area of theoretical chemistry. His choices are listed below and you can read them by clicking on the links - all are free to access* until 24th May.

van der Waals dispersion interactions in molecular materials: beyond pairwise additivity
Anthony M. Reilly and Alexandre Tkatchenko 
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C5SC00410A, Perspective
Open Access
C5SC00410A GA
Novel metal–organic framework linkers for light harvesting applications
Michael E. Foster, Jason D. Azoulay, Bryan M. Wong and Mark D. Allendorf 
Chem. Sci., 2014, 5, 2081-2090
DOI: 10.1039/C4SC00333K, Edge Article
C4SC00333K GA
Polymethine dyes for all-optical switching applications: a quantum-chemical characterization of counter-ion and aggregation effects on the third-order nonlinear optical response
Sukrit Mukhopadhyay, Chad Risko, Seth R. Marder and Jean-Luc Brédas 
Chem. Sci., 2012,3, 3103-3112
DOI: 10.1039/C2SC20861J, Edge Article
 C2SC20861J GA
Thermodynamic analysis of Xe/Kr selectivity in over 137 000 hypothetical metal–organic frameworks
Benjamin J. Sikora, Christopher E. Wilmer, Michael L. Greenfield and Randall Q. Snurr 
Chem. Sci., 2012, 3, 2217-2223
DOI: 10.1039/C2SC01097F, Edge Article
From themed collection Physical Chemistry
 C2SC01097F GA
Estimating chemical reactivity and cross-influence from collective chemical knowledge
Siowling Soh, Yanhu Wei, Bartlomiej Kowalczyk, Chris M. Gothard, Bilge Baytekin, Nosheen Gothard and Bartosz A. Grzybowski 
Chem. Sci., 2012, 3, 1497-1502
DOI: 10.1039/C2SC00011C, Edge Article
C2SC00011C GA

 

Alán is now accepting submissions to Chemical Science in the area of theoretical chemistry.  He is keen to emphasize that he is interested not only in exceptional applications of theoretical methods, but also in the top methods-development manuscripts. He is also very interested in articles that are at the interface of theoretical chemistry and other fields.

Submit your high-impact research to Alán’s Editorial Office.

*Access is free with a registered RSC account.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Beyond the Mizoroki-Heck Reaction: Palladium-catalyzed Synthesis of α-Aryl Dicarbonyls via 1,2-Migration

Web writer Tezcan Guney writes for the blog about a recent Chemical Science Edge Article.

The utility of palladium-catalyzed coupling has grown extensively as it has become one of the most powerful tools available to synthetic chemists.  By playing a strategic role in the formation of carbon-carbon and carbon-heteroatom bonds, this synthetic technology has provided numerous opportunities to access diverse molecular architectures. 

C5SC00505A GA

In this recently published Chemical Science Edge Article, Professor Uttam K. Tambar and colleague from the University of Texas Southwestern Medical Center at Dallas set out to determine whether the Mizoroki–Heck reaction could be extended to generate dicarbonyl species while circumventing the usual alkene products.  They envisioned that under the modified reaction conditions the initial coupling of substituted allylic alcohols and organohalides would be followed by the key 1,2-migration step, instead of the conventional β-hydride elimination.

After screening various reaction conditions, the Tambar group found that the desired aryl dicarbonyls were furnished in good yield when a catalytic amount of  bis(benzonitrile)dichloropalladium(II) was combined with a silver salt in the presence of 1,1-diphenylallyl alcohol and ethyl bromoacetate

An investigation of the scope revealed that the aryl groups substituted with electron-rich and electron-deficient groups, as well as geminal-disubstituted allylic alcohols provided the desired coupling products.  Based on the preliminary mechanistic studies, they proposed that the reactions proceeded through the acyclic free radical pathway.

Furthermore, Prof. Tambar and his coworker also tested the possibility of producing additional acyclic 1,5-dicarbonyl compounds containing multiple stereogenic centers.  For instance, when they utilized the piperidine-substituted methyl bromoamide as the reaction partner with 1,1-diphenylallyl alcohol, the researchers found that the coupling reaction yielded the diketone product with diastereomeric ratio of 5:1.

Because acyclic stereocontrol remains a challenging research area in stereoselective free radical reactions, the 5:1 ratio is notably the highest reported level of 1,3-stereoinduction in 1,2-aryl migrations. 

This exciting article was just published in Chemical Science as an Edge Article. Read “Palladium-catalyzed cross-coupling of α-bromocarbonyls and allylic alcohols for the synthesis of α-aryl dicarbonyl compounds” (DOI: 10.1039/C5SC00505A) by Professor Uttam K. Tambar and Yang Yu to learn more about their chemistry. The article is free to access until 20th May 2015*.

*Access is free through a registered RSC account


Dr. Tezcan Guney is a web writer for Chemical Society Reviews, Chemical Science and Chemical Communications. Dr. Guney received his Ph.D. from the Department of Chemistry at Iowa State University with Prof. George Kraus, where he focused on the synthesis of biologically active polycyclic natural products and multifunctional imaging probes. Currently, he is a postdoctoral research scholar at the Memorial Sloan-Kettering Cancer Center in New York with Prof. Derek Tan, contributing to the efforts to access biologically active small molecules using the diversity-oriented synthetic approach.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Jim McCusker joins Chemical Science as Associate Editor

Chemical Science is delighted to announce that Professor James K. McCusker of Michigan State University has joined the journal as an Associate Editor. Jim is now handling submissions in the area of Physical Inorganic chemistry.

Biography
Jim McCusker was born in New Haven, Connecticut in 1965. After graduating from Bucknell University and University of Illinois at Urbana-Champaign, he joined the University of North Carolina as an NIH Postdoctoral Fellow, where he worked with Professor Thomas J. Meyer from 1992-94. Following this he took up a position as Assistant Professor of Chemistry at the University of California, Berkeley. In 2001 Jim moved his research group to Michigan State University, where he is currently Professor of Chemistry and Director of the Center of Research Excellence in Complex Materials (CORE-CM).

Research
The McCusker Group’s research revolves around the ultrafast excited-state dynamics of transition metal complexes – in particular as this relates to the development of solar energy conversion strategies – as well as the interplay between zero-field spin polarization and the physical and photophysical properties of molecular systems.

Jim on Chemical Science
We asked Jim to talk us through some of his favourite Chemical Science articles. He picked the following as his highlights:

C4SC01333F GARecent advances on ultrafast X-ray spectroscopy in the chemical sciences
L. X. Chen, X. Zhang and M. L. Shelby  
Chem. Sci., 2014, 5, 4136-4152, DOI: 10.1039/C4SC01333F, Minireview

Jim says, “This is a mini-review by Chen and co-workers. It’s a great example of one of the formats that Chem Sci has created that allows an expert in a certain area to present his/her perspective. In this case, Lin Chen, one of the world’s experts in the application of ultrafast x-ray science to chemical problems, does a great job in explaining the history of the methodology and what the information derived from these experiments can provide to chemists. In essence, Chen takes a fairly sophisticated physical chemistry/chemical physics technique and explains its relevance to the broader chemical community.”

C1SC00596K GAEnergy transfer mediated by asymmetric hydrogen-bonded interfaces
Elizabeth R. Young, Joel Rosenthal and Daniel G. Nocera  
Chem. Sci., 2012, 3, 455-459 , DOI: 10.1039/C1SC00596K, Edge Article

“A paper by our new Editor-in-Chief. This is a great example of how judicious use of molecular design can be used to illustrate and expand our understanding of fundamental chemical principals. In this case, the topic is proton-coupled electron transfer (PCET), a field that Nocera (along with my colleague at MSU, Robert Cukier) effectively defined and codified back in the 90s. This paper shows that the motion of protons in donor-acceptor systems can not only play a role in electron transfer (hence the term PCET), but can also be important in energy transfer. This effectively expands the scope of the PCET picture into a completely new realm of reactivity.”

C2SC20801F GASlow magnetization dynamics in a series of two-coordinate iron(II) complexes
Joseph M. Zadrozny, Mihail Atanasov, Aimee M. Bryan, Chun-Yi Lin, Brian D. Rekken, Philip P. Power, Frank Neese and Jeffrey R. Long  
Chem. Sci., 2013, 4, 125-138, DOI: 10.1039/C2SC20801F, Edge Article

“A paper by former Associate Editor Jeffrey Long, this represents a terrific confluence of synthesis, physical methods, and theory to demonstrate the applicability of an important physical concept in setting that would previously have been deemed unlikely at best. The present case deals with the rapidly developing area of single-molecule magnetism. Once thought to be relegated to large metal clusters, this paper shows how, by paying attention to the true underlying basis for the phenomenon, one can design molecules that exhibit the same effect in the simplest of coordination environments, namely a single-ion, two-coordinate complex.”

C0SC00262C GAVibrational coherence in the excited state dynamics of Cr(acac)3: probing the reaction coordinate for ultrafast intersystem crossing
Joel N. Schrauben, Kevin L. Dillman, Warren F. Beck and James K. McCusker  
Chem. Sci., 2010, 1, 405-410, DOI: 10.1039/C0SC00262C, Edge Article

On choosing this Edge Article from an early issue of Chemical Science, Jim comments, “Okay, this is a bit self-serving in that it comes out of my group, but I’m actually quite proud of this paper. In chemistry we often talk about the “reaction coordinate” for a chemical process, be it a thermal reaction or a photo physical transformation, but what does that really mean? In this study, we were actually able to identify what this reaction coordinate is in the context of ultrafast excited-state dynamics. This paper was the first to document vibrational coherence associated with ligand-field electronic states. The underlying nature of the molecular motion responsible for this coherence was identified, and that information was used to synthetically modify the compound. The result was a > 10x modulation of the kinetics associated with the photo physics of this system, demonstrating for the first time that one could in fact use synthetic chemistry to effect significant changes in the photo-induced properties of molecules, even those occurring on sub-picosecond time scales.”

These articles are all free to access until 14th May.

Jim is now accepting submissions to Chemical Science in the area of physical inorganic chemistry. Submit your high-impact research to his Editorial Office.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Enantioselective Synthesis of β-lactams via C–H Functionalization of Enoldiazoacetamides

Web writer Tezcan Guney writes about a recent Chemical Science Edge Article

Although substantial advancements have been made in the functionalization of C–H bonds of diazo compounds, accessing β-lactams via intramolecular pathways remains a challenge.  Researchers must address the chemo-, regio-, and stereoselectivity of diazoacetamide derivatives based on their electronic, steric, and conformational impacts on β-lactam synthesis

graphical abstract for article C4SC03991B

In this recent Chemical Science Edge Article, Professor Michael P. Doyle and his coworkers report a very selective asymmetric intramolecular C–H functionalization reaction of enoldiazoacetamides catalyzed by a chiral dirhodium carboxylate to achieve cis-β-lactam scaffolds.

The broad-spectrum biological activities of β-lactam motifs in treatment have proven valuable since the discovery and development of penicillin antibiotics. The magnitude of the joint scientific achievement of Sir Alexander Fleming, Ernst B. Chain and Sir Howard W. Florey in penicillin research were recognized by their receipt of the Nobel Prize in Physiology or Medicine in 1945.

The Doyle group prepared a number of donor–acceptor enoldiazoacetamides to extend beyond the less selective acceptor–acceptor diazoamides.  By capitalizing on a sterically hindered dirhodium carboxylate catalyst, donor-acceptor cyclopropene intermediates led to the key intramolecular C–H insertion.  Exclusive formation of cis-β-lactams resulted in high yields (80-92%) and notably high enantioselectivities (83-99% ee).

I recommend reading “Enantioselective cis-β-lactam synthesis by intramolecular C–H functionalization from enoldiazoacetamides and derivative donor–acceptor cyclopropenes” by Professor Michael P. Doyle and his colleagues to learn more about their asymmetric approach to β-lactams*.

Enantioselective cis-β-lactam synthesis by intramolecular C–H functionalization from enoldiazoacetamides and derivative donor–acceptor cyclopropenes
Xinfang Xu, Yongming Deng, David N. Yim, Peter Y. Zavalij and Michael P. Doyle  
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC03991B, Edge Article

*Access is free through a registered RSC account


Dr. Tezcan Guney is a guest web writer for Chemical Science. Dr. Guney received his Ph.D. from the Department of Chemistry at Iowa State University with Prof. George Kraus, where he focused on the synthesis of biologically active polycyclic natural products and multifunctional imaging probes. Currently, he is a postdoctoral research scholar at the Memorial Sloan-Kettering Cancer Center in New York with Prof. Derek Tan, contributing to the efforts to access biologically active small molecules using the diversity-oriented synthetic approach.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Top 25 most downloaded Chemical Science articles October–December 2014

Chemical Science Issue 1, 2015 front coverHave you read the 25 most downloaded Chemical Science articles from October–December 2014?

An anti-cancer trinuclear ruthenium(III) complex with 2-thiosalicylate ligands attenuates Wnt-β-catenin signaling
Sharon Lai-Fung Chan, Raymond Wai-Yin Sun, Mei-Yuk Choi, Yibo Zeng, Lam Shek, Stephen Sin-Yin Chui and Chi-Ming Che  
DOI:10.1039/C1SC00203A

Selective affinity-based probe for oncogenic kinases suitable for live cell imaging
Claudio Zambaldo, Kalyan K. Sadhu, Ganesan Karthikeyan, Sofia Barluenga, Jean-Pierre Daguer and Nicolas Winssinger
DOI: 10.1039/C3SC21856B

De novo design and optimization of Aurora A kinase inhibitors
Tiago Rodrigues, Filip Roudnicky, Christian P. Koch, Takayuki Kudoh, Daniel Reker, Michael Detmar and Gisbert Schneider  
DOI: 10.1039/C2SC21842A

A high-spin square-planar Fe(II) complex stabilized by a trianionic pincer-type ligand and conclusive evidence for retention of geometry and spin state in solution
M. E. Pascualini, N. V. Di Russo, A. E. Thuijs, A. Ozarowski, S. A. Stoian, K. A. Abboud, G. Christou and A. S. Veige  
DOI: 10.1039/C4SC02634A
Open Access

Macrocycles: lessons from the distant past, recent developments, and future directions
Andrei K. Yudin
DOI: 10.1039/C4SC03089C
Open Access

Carbon–hydrogen (C–H) bond activation at PdIV: a Frontier in C–H functionalization catalysis
Joseph J. Topczewski and Melanie S. Sanford
DOI: 10.1039/C4SC02591A
Open Access

The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures
Oxana Kotova, Salvador Blasco, Brendan Twamley, John O’Brien, Robert D. Peacock, Jonathan A. Kitchen, Miguel Martínez-Calvo and Thorfinnur Gunnlaugsson  
DOI: 10.1039/C4SC02474E
Open Access

ITQ-54: a multi-dimensional extra-large pore zeolite with 20 × 14 × 12-ring channels
Jiuxing Jiang, Yifeng Yun, Xiaodong Zou, Jose Luis Jorda and Avelino Corma 
DOI: 10.1039/C4SC02577F
Open Access

Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics
Reinhard Berger, Manfred Wagner, Xinliang Feng and Klaus Müllen  
DOI: 10.1039/C4SC02793K
Open Access

Enantioselective α-amination enabled by a BINAM-derived phase-transfer catalyst
H. M. Nelson, J. S. Patel, H. P. Shunatona and F. D. Toste  
DOI: 10.1039/C4SC02494J
Open Access

“Self-repairing” nanoshell for cell protection
Nan Jiang, Xiao-Yu Yang, Guo-Liang Ying, Ling Shen, Jing Liu, Wei Geng, Ling-Jun Dai, Shao-Yin Liu, Jian Cao, Ge Tian, Tao-Lei Sun, Shi-Pu Li and Bao-Lian Su  
DOI: 10.1039/C4SC02638A
Open Access

Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics
Eric T. Hoke, Daniel J. Slotcavage, Emma R. Dohner, Andrea R. Bowring, Hemamala I. Karunadasa and Michael D. McGehee  
DOI: 10.1039/C4SC03141E
Open Access

Diaryldichalcogenide radical cations
Ole Mallow, Monther A. Khanfar, Moritz Malischewski, Pamela Finke, Malte Hesse, Enno Lork, Timo Augenstein, Frank Breher, Jeffrey R. Harmer, Nadezhda V. Vasilieva, Andrey Zibarev, Artem S. Bogomyakov, Konrad Seppelt and Jens Beckmann 
DOI: 10.1039/C4SC02964J
Open Access

Structural study of a small molecule receptor bound to dimethyllysine in lysozyme
Róise E. McGovern, Brendan D. Snarr, Joseph A. Lyons, James McFarlane, Amanda L. Whiting, Irina Paci, Fraser Hof and Peter B. Crowley   
DOI: 10.1039/C4SC02383H
Open Access

Ligand design for Rh(III)-catalyzed C–H activation: an unsymmetrical cyclopentadienyl group enables a regioselective synthesis of dihydroisoquinolones
Todd K. Hyster, Derek M. Dalton and Tomislav Rovis 
DOI: 10.1039/C4SC02590C
Open Access

Annihilation electrogenerated chemiluminescence of mixed metal chelates in solution: modulating emission colour by manipulating the energetics
Emily Kerr, Egan H. Doeven, Gregory J. Barbante, Conor F. Hogan, David J. Bower, Paul S. Donnelly, Timothy U. Connell and Paul S. Francis 
DOI: 10.1039/C4SC02697G
Open Access

Selecting reactions and reactants using a switchable rotaxane organocatalyst with two different active sites
Jack Beswick, Victor Blanco, Guillaume De Bo, David A. Leigh, Urszula Lewandowska, Bartosz Lewandowski and Kenji Mishiro  
DOI: 10.1039/C4SC03279A
Open Access

Tailored chondroitin sulfate glycomimetics via a tunable multivalent scaffold for potentiating NGF/TrkA-induced neurogenesis
Pei Liu, Liwei Chen, Jerry K. C. Toh, Yi Li Ang, Joo-Eun Jee, Jaehong Lim, Su Seong Lee and Song-Gil Lee  
DOI: 10.1039/C4SC02410A
Open Access

Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups
Zuolun Zhang, Robert M. Edkins, Jörn Nitsch, Katharina Fucke, Andreas Steffen, Lauren E. Longobardi, Douglas W. Stephan, Christoph Lambert and Todd B. Marder 
DOI: 10.1039/C4SC02410A
Open Access

Ligand functionalization as a deactivation pathway in a fac-Ir(ppy)3-mediated radical addition
James J. Devery III, James J. Douglas, John D. Nguyen, Kevin P. Cole, Robert A. Flowers II and Corey R. J. Stephenson  
DOI: 10.1039/C4SC03064H
Open Access

In vivo visible light-triggered drug release from an implanted depot
Carl-Johan Carling, Mathieu L. Viger, Viet Anh Nguyen Huu, Arnold V. Garcia and Adah Almutairi   
DOI: 10.1039/C4SC02651A
Open Access

Non-equilibrium cobalt(III) “click” capsules
P. R. Symmers, M. J. Burke, D. P. August, P. I. T. Thomson, G. S. Nichol, M. R. Warren, C. J. Campbell and P. J. Lusby  
DOI: 10.1039/C4SC03036B
Open Access

Ultrafast infrared spectroscopy reveals water-mediated coherent dynamics in an enzyme active site
Katrin Adamczyk, Niall Simpson, Gregory M. Greetham, Andrea Gumiero, Martin A. Walsh, Michael Towrie, Anthony W. Parker and Neil T. Hunt  
DOI: 10.1039/C4SC02752C
Open Access

A counteranion triggered arylation strategy using diaryliodonium fluorides
L. Chan, A. McNally, Q. Y. Toh, A. Mendoza and M. J. Gaunt
DOI: 10.1039/C4SC02856B
Open Access

Transition-metal-free controlled polymerization for poly(p-aryleneethynylene)s
Takanobu Sanji, Asahi Motoshige, Hideaki Komiyama, Junko Kakinuma, Rie Ushikubo, Satoru Watanabe and Tomokazu Iyoda 
DOI: 10.1039/C4SC02872D
Open Access


Chemical Science is the Royal Society of Chemistry’s flagship journal, publishing research articles of exceptional significance and high-impact reviews from across the chemical sciences. It has been Gold Open Access since January 2015. The journal’s latest (2013) Impact Factor is 8.6. Research in Chemical Science is not only of the highest quality but also has excellent visibility: this is reflected in our latest citation profile.

Submit your exceptional research to Chemical Science today!

Stay up to date with Chemical Science

Be among the first to hear about the newest articles being published – Sign-up to our journal news alert to receive information about most read articles, journal news, as well as calls for papers and invitations.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Prize awarded at Postgraduate Solar Fuels Symposium

SFN 3rd UK Solar Fuels Symposium 19th and 20th January, 2015 Edinburgh Conference CentreChemical Science and Energy & Environmental Science were delighted to sponsor the Postgraduate Solar Fuels Symposium which took place in Edinburgh last month.

The winner of the prize for best oral presentation  was Jan Rongé, University of Cambridge for his talk “Solar fuel from air and sunlight”.

Emily Glover of University College London and Wei Li of the University of Liverpool both received honourable mentions for their talks.

The best poster prize was awarded to Mark Forster from the University of Liverpool, for his poster titled “Elucidating charge carrier dynamics on advanced hematite (Fe2O3) photoelectrodes”.

Congratulations to the winners!

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Challenges in Chemical Renewable Energy – join us in Rio!

Challenges in Chemical Renewable Energy ISACS17 8-11 September 2015 Rio de Janeiro, Brazil

Call for oral abstracts – deadline 27 April 2015

We invite you to join us at Challenges in Chemical Renewable Energy (ISACS17), which will be held in Rio de Janeiro, Brazil from 8-11 September 2015.

This conference will bring together leading scientists from across the world to share scientific developments in renewable energy generation and storage. The broad subject scope will provide an excellent overview of some of the key challenges within cutting edge aspects of this important, fast-moving research field, with plenty of opportunities for networking.

Themes include:

  • Solar Fuels and molecular catalysis
  • Photovoltaics
  • Biofuels
  • Battery technology and energy storage
  • Fuel cells


Submit your abstract today via our submission system.

You can find more details about submitting your abstract here.


Invited speakers:

James Durrant, Imperial College London, United Kingdom

Eduardo Falabella, Federal University of Rio de Janeiro and PETROBRAS, Brazil

Marc Fontecave, Collège de France, France

Ernesto R. Gonzalez, University of São Paulo, Brazil

Can Li, Dalian Institute of Chemical Physics, China

Daniel Nocera, Harvard University, United States

Erwin Reisner, University of Cambridge, United Kingdom

Keith Waldron, Institute of Food Research, United Kingdom

Karen Wilson, Aston University, United Kingdom


Chemical Science cover imageThe ISACS symposia are organised in partnership with Chemical Science. From 2015 all our content is Open Access so you can check out some of the latest freely accessible research in the broad field of Chemical Renewable Energy today:

Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics
Eric T. Hoke, Daniel J. Slotcavage, Emma R. Dohner, Andrea R. Bowring, Hemamala I. Karunadasa and Michael D. McGehee
DOI: 10.1039/C4SC03141E

Long-lived charge carrier generation in ordered films of a covalent perylenediimide–diketopyrrolopyrrole–perylenediimide molecule
Patrick E. Hartnett, Scott M. Dyar, Eric A. Margulies, Leah E. Shoer, Andrew W. Cook, Samuel W. Eaton, Tobin J. Marks and Michael R. Wasielewski
DOI: 10.1039/C4SC02551B

Ultrafast delocalization of excitation in synthetic light-harvesting nanorings
Chaw-Keong Yong, Patrick Parkinson, Dmitry V. Kondratuk, Wei-Hsin Chen, Andrew Stannard, Alex Summerfield, Johannes K. Sprafke, Melanie C. O’Sullivan, Peter H. Beton, Harry L. Anderson and Laura M. Herz
DOI: 10.1039/C4SC02424A

Oxygen evolution on well-characterized mass-selected Ru and RuO2 nanoparticles
Elisa A. Paoli, Federico Masini, Rasmus Frydendal, Davide Deiana, Christian Schlaup, Mauro Malizia, Thomas W. Hansen, Sebastian Horch, Ifan E. L. Stephens and Ib Chorkendorff
DOI: 10.1039/C4SC02685C

Metal oxidation states in biological water splitting
Vera Krewald, Marius Retegan, Nicholas Cox, Johannes Messinger, Wolfgang Lubitz, Serena DeBeer, Frank Neese and Dimitrios A. Pantazis
DOI: 10.1039/C4SC03720K

Computational design of molecules for an all-quinone redox flow battery
Süleyman Er, Changwon Suh, Michael P. Marshak and Alán Aspuru-Guzik
DOI: 10.1039/C4SC03030C

A noble metal-free proton-exchange membrane fuel cell based on bio-inspired molecular catalysts
P. D. Tran, A. Morozan, S. Archambault, J. Heidkamp, P. Chenevier, H. Dau, M. Fontecave, A. Martinent, B. Jousselme and V. Artero
DOI: 10.1039/C4SC03774J

A facile route to electronically conductive polyelectrolyte brushes as platforms of molecular wires
Karol Wolski, Michał Szuwarzyński and Szczepan Zapotoczny
DOI: 10.1039/C4SC04048A

Catalysis of water oxidation in acetonitrile by iridium oxide nanoparticles
Jonnathan C. Hidalgo-Acosta, Manuel A. Méndez, Micheál D. Scanlon, Heron Vrubel, Véronique Amstutz, Wojciech Adamiak, Marcin Opallo and Hubert H. Girault
DOI: 10.1039/C4SC02196G

Tandem redox mediator/Ni(II) trihalide complex photocycle for hydrogen evolution from HCl
Seung Jun Hwang, David C. Powers, Andrew G. Maher and Daniel G. Nocera
DOI: 10.1039/C4SC02357A

Durable hydrogen evolution from water driven by sunlight using (Ag,Cu)GaSe2 photocathodes modified with CdS and CuGa3Se5
Li Zhang, Tsutomu Minegishi, Mamiko Nakabayashi, Yohichi Suzuki, Kazuhiko Seki, Naoya Shibata, Jun Kubota and Kazunari Domen
DOI: 10.1039/C4SC02346C

Magnetic MOF microreactors for recyclable size-selective biocatalysis
Jia Huo, Jordi Aguilera-Sigalat, Samir El-Hankari and Darren Bradshaw
DOI: 10.1039/C4SC03367A

We hope you can join us for Challenges in Chemical Renewable Energy (ISAC17). Claudio Mota, Roberto Torresi and the rest of the Scientific Committee look forward to welcoming you and your colleagues to Rio de Janeiro!

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Christopher Hunter joins Chemical Science as Associate Editor

Chemical Science is pleased to welcome Christopher Hunter as Associate Editor for Physical Organic chemistry.  

Biography
Christopher Hunter is Herchel Smith Professor of Organic Chemistry at the University of Cambridge. Originally from New Zealand, he moved to Northern Ireland at the age of four and completed his early education there.  After receiving his undergraduate degree and PhD from Churchill College, Cambridge, he returned to his native New Zealand for a couple of years to lecture at the University of Otago. In 1991 he moved back to the UK, joining the University of Sheffield first as Lecturer and then as Professor, before taking up his current post at the University of Cambridge in September 2014.  

Research
The Hunter Group’s aim is to establish a reliable set of rules that can be used for the design of non-covalent systems. Their research focuses on four main areas of development:
1. Fundamental investigations of the nature of intermolecular interactions
2. Molecular design of functional assemblies
3. Development of new methods for studying solvation and co-operativity
4. Computer modelling of intermolecular interactions  

Awards
Chris’s recent awards include the RSC Physical Organic Chemistry Award (2011) and the RSC Tilden Prize (2009). In 2008 he was elected a Fellow of the Royal Society.  

Publications
You can read some of the most recent work from the Hunter group in Chemical Science – click on the links below to get to the articles. All are either Open Access or free to access until 24th March: 

The flexibility–complementarity dichotomy in receptor–ligand interactions
Hongmei Sun, Christopher A. Hunter and Eva Marina Llamas  
Chem. Sci., 2015, 6, 1444-1453
DOI: 10.1039/C4SC03398A, Edge Article
OA icon Open Access
 
pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules
William Cullen, Simon Turega, Christopher A. Hunter and Michael D. Ward  
Chem. Sci., 2015, 6, 625-631
DOI: 10.1039/C4SC02090A, Edge Article
OA icon Open Access
 
Applications of dynamic combinatorial chemistry for the determination of effective molarity
Maria Ciaccia, Irene Tosi, Laura Baldini, Roberta Cacciapaglia, Luigi Mandolini, Stefano Di Stefano and Christopher A. Hunter  
Chem. Sci., 2015, 6, 144-151
DOI: 10.1039/C4SC02347A, Edge Article
OA icon Open Access
 
A solvent-resistant halogen bond
Craig C. Robertson, Robin N. Perutz, Lee Brammer and Christopher A. Hunter  
Chem. Sci., 2014, 5, 4179-4183
DOI: 10.1039/C4SC01746C, Edge Article
OA icon Open Access
 
Quantification of solvent effects on molecular recognition in polyhedral coordination cage hosts
Martina Whitehead, Simon Turega, Andrew Stephenson, Christopher A. Hunter and Michael D. Ward  
Chem. Sci., 2013, 4, 2744-2751
DOI: 10.1039/C3SC50546D, Edge Article 
OA icon Open Access

A surface site interaction model for the properties of liquids at equilibrium
Christopher A. Hunter  
Chem. Sci., 2013, 4, 1687-1700
DOI: 10.1039/C3SC22124E, Edge Article
From themed collection Physical Chemistry  

van der Waals interactions in non-polar liquids
Christopher A. Hunter  
Chem. Sci., 2013, 4, 834-848
DOI: 10.1039/C2SC21666C, Edge Article
From themed collection Physical Chemistry  

Chris is now accepting submissions to Chemical Science in the area of physical organic chemistry.  Submit your high-impact research to his Editorial Office.  


Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Chemical Science welcomes Vy Dong as Associate Editor

Chemical Science is delighted to welcome Vy Dong of UC Irvine as Associate Editor in the area of Organic Chemistry.

Vy DongBiography
Vy Dong grew up in Big Spring, Texas and Anaheim, California. After graduating from the University of California, Irvine, she joined David MacMillan’s group at UC Berkeley, moving with his group to Caltech to complete her doctoral studies. She began her independent academic career at the University of Toronto in 2006, where she was promoted with tenure and named the Adrian Brook Professor. After six years in Canada, Vy returned to the United States to assume a professorship at her alma mater, UC Irvine.

In 2013 we interviewed Vy for Chemistry Worldread the full interview to find out why Vy chose to pursue a career in chemistry, how she comes up with ideas for new projects, and what she loves about her job.

Research
Professor Dong’s research group at UC Irvine is interested in new reaction methods, enantioselective catalysis, and natural product synthesis. Specifically, the group looks at finding ways to directly convert carbon-hydrogen bonds into other functional groups, use carbon dioxide as a raw material, and make biologically active heterocycles.

Publications
We’ve made some of the Dong Research Group’s Chemical Science articles free to access until 18th March – click on the titles below to get to the articles*:

Mechanistic insights into hydroacylation with non-chelating aldehydes
Stephen K. Murphy, Achim Bruch and Vy M. Dong
Chem. Sci., 2015,6, 174-180, DOI: 10.1039/C4SC02026J, Edge Article
OA icon Open Access

β-hydroxy ketones prepared by regioselective hydroacylation
Stephen K. Murphy, Matthew M. Coulter and Vy M. Dong
Chem. Sci., 2012,3, 355-358, DOI: 10.1039/C1SC00634G, Edge Article

Ru-catalyzed activation of sp3 C–O bonds: O- to N-alkyl migratory rearrangement in pyridines and related heterocycles
Charles S. Yeung, Tom H. H. Hsieh and Vy M. Dong
Chem. Sci., 2011,2, 544-551, DOI: 10.1039/C0SC00498G, Edge Article

Nitrogen-directed ketone hydroacylation: Enantioselective synthesis of benzoxazecinones
Hasan A. Khan, Kevin G. M. Kou and Vy M. Dong
Chem. Sci., 2011,2, 407-410, DOI: 10.1039/C0SC00469C, Edge Article

Vy is now accepting submissions to Chemical Science in the area of organic chemistry. Submit your high-impact research to her Editorial Office.

*Access is free through a registered RSC account

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)