Archive for September, 2011

Let’s get physical

Chemical Science has published some exceptional physical chemistry since its launch last year. Below is a selection of recent articles but be sure to browse our issues to keep up-to-date with the latest cutting edge research.

Practical computation of electronic excitation in solution: vertical excitation model
Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar, Ciro A. Guido, Benedetta Mennucci, Giovanni Scalmani and Michael J. Frisch
Chem. Sci., 2011, DOI: 10.1039/C1SC00313E 

Multi-structural variational transition state theory. Kinetics of the 1,4-hydrogen shift isomerization of the pentyl radical with torsional anharmonicity
Tao Yu, Jingjing Zheng and Donald G. Truhlar
Chem. Sci., 2011, DOI: 10.1039/C1SC00225B

Water-hydroxyl phases on an open metal surface: breaking the ice rules
Matthew Forster, Rasmita Raval, Javier Carrasco, Angelos Michaelides and Andrew Hodgson
Chem. Sci., 2011, DOI: 10.1039/C1SC00355K

Photo-induced charge recombination kinetics in low bandgap PCPDTBT polymer:CdSe quantum dot bulk heterojunction solar cells
Josep Albero, Yunfei Zhou, Michael Eck, Frank Rauscher, Phenwisa Niyamakom, Ines Dumsch, Sybille Allard, Ullrich Scherf, Michael Krüger and Emilio Palomares
Chem. Sci., 2011, DOI: 10.1039/C1SC00514F

Effect of defects on photocatalytic dissociation of methanol on TiO2(110)
Chuanyao Zhou, Zhibo Ma, Zefeng Ren, Xinchun Mao, Dongxu Dai and Xueming Yang
Chem. Sci., 2011, 2, 1980-1983

Energy transfer at metal surfaces: the need to go beyond the electronic friction picture
Christof Bartels, Russell Cooper, Daniel J. Auerbach and Alec M. Wodtke
Chem. Sci., 2011, 2, 1647-1655

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Submit your own hot research to our physical chemistry associate editors: Kazunari Domen, Haw Yang and Kopin Liu.

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Top ten most accessed articles in August

This month sees the following articles in Chemical Science that are in the top ten most accessed:-

A robust and scalable synthesis of the potent neuroprotective agent (-)-huperzine A
Maung Kyaw Moe Tun, Daniel-Joachim Wüstmann and Seth B. Herzon
Chem. Sci., 2011, Advance Article, DOI: 10.1039/C1SC00455G

Nickel-catalyzed cross coupling of non-activated alkyl halides: a mechanistic perspective
Xile Hu
Chem. Sci., 2011, 2, 1867-1886, DOI: 10.1039/C1SC00368B

Ruthenium-catalyzed intramolecular carbocyclization of alkynes with an sp3 carbon involving an oxidative deprotonation process
Bo-Xiao Tang, Ren-Jie Song, Cui-Yan Wu, Zhi-Qiang Wang, Yu Liu, Xiao-Cheng Huang, Ye-Xiang Xie and Jin-Heng Li
Chem. Sci., 2011, Advance Article, DOI: 10.1039/C1SC00423A

Cinchona alkaloid-based phosphoramide catalyzed highly enantioselective Michael addition of unprotected 3-substituted oxindoles to nitroolefins
Miao Ding, Feng Zhou, Yun-Lin Liu, Cui-Hong Wang, Xiao-Li Zhao and Jian Zhou
Chem. Sci., 2011, 2, 2035-2039, DOI: 10.1039/C1SC00390A

The effect of the N-mesityl group in NHC-catalyzed reactions
Jessada Mahatthananchai and Jeffrey W. Bode
Chem. Sci., 2011, Advance Article, DOI: 10.1039/C1SC00397F

Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine
Matthew K. Vecchione, Aaron X. Sun and Daniel Seidel
Chem. Sci., 2011, Advance Article, DOI: 10.1039/C1SC00506E

Template-directed synthesis of p-conjugated porphyrin [2]rotaxanes and a [4]catenane based on a six-porphyrin nanoring
Matthew J. Langton, Jonathan D. Matichak, Amber L. Thompson and Harry L. Anderson
Chem. Sci., 2011, 2, 1897-1901, DOI: 10.1039/C1SC00358E

Synthesis of natural-product-like scaffolds in unprecedented efficiency via a 12-fold branching pathway
Diane Robbins, Annabella F. Newton, Camille Gignoux, Jean-Christophe Legeay, Alex Sinclair, Martin Rejzek, Carly A. Laxon, Sai K. Yalamanchili, William Lewis, Maria A. O’Connell and Robert A. Stockman
Chem. Sci., 2011, Advance Article, DOI: 10.1039/C1SC00371B

Photocatalytic reductive cyclizations of enones: Divergent reactivity of photogenerated radical and radical anion intermediates
Juana Du, Laura Ruiz Espelt, Ilia A. Guzei and Tehshik P. Yoon
Chem. Sci., 2011, Advance Article, DOI: 10.1039/C1SC00357G

Enantioselective carbon–sulfur bond formation: y additions of aryl thiols to allenoates catalyzed by a chiral phosphepine
Yuji Fujiwara, Jianwei Sun and Gregory C. Fu
Chem. Sci., 2011, Advance Article, DOI: 10.1039/C1SC00414J

Why not take a look at the articles today and blog your thoughts and comments below.

Fancy submitting an article to Chemical Science? Then why not submit to us today or alternatively contact us your suggestions.



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First Accepted Manuscript published

We’ve just published the first article in our new ‘Accepted Manuscript’ service. Atsuhiro Osuka, from Kyoto University, Japan, and colleagues are the first Chemical Science authors to benefit from their research being made available in citeable form even more rapidly. Read their Edge article for free: Phosphorus complexes of a triply-fused [24]pentaphyrin 

All Chemical Science authors are now given the option of publishing their research as an Accepted Manuscript. An Accepted Manuscript is an unedited and unformatted version of an article that is published shortly after acceptance. It is available as a downloadable pdf file. It is then replaced by the fully edited and formatted Advance Article. Find out more >

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AzkoNobel UK Science Award

Nominations are now open for the AzkoNobel UK Science Award. This biennial award will be presented to an individual in recognition of outstanding scientific contributions in the fields of chemistry and materials sciences. The winner of the award will be gifted £50,000.

The AkzoNobel awards have run since 1970, beginning in the Netherlands, and are being expanded to include China, the UK and the US.  Recent winners include Professor Jonas Frisén (Sweden 2011), Professor Bert Meijer (Netherlands 2010) and Professors Xi Zhang, Yanlin Song and Chunhua Yan (China 2010).

Nominators are asked to submit:

  •  a supporting statement addressing the selection criteria of no longer than one A4 side of 11pt text and
  • a one page CV for the candidate which should include their date of birth, website URL, summary of education and career, a list of 5 relevant recent publications and total numbers of publications and patents

Please note that candidates may not nominate themselves.

Visit the RSC award website to make a nomination and for details on the scientific scope. Closing date for nominations is 31st October 2011.

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Stereoselective cyclisations

Paul Floreancig’s group at the University of Pittsburgh has developed a stereoselective heterocycle synthesis starting from allylic alcohols.

Treatment of allylic alcohol (1) with rhenium heptoxide leads to the formation of a perrhenate ester (2) that undergoes a rearrangement to form a mixture of two ester stereoisomers (3 and 4). Cyclisation occurs through nucleophilic addition to the reactive oxo-carbenium intermediate to form a mixture of kinetic products (5 and 6). Owing to the fact that that ring formation is reversible in some cases, stereoselectivity arises from one product being more thermodynamically favourable; a discovery that the Floreancig group have developed to their advantage.

cyclisation reaction

Stereoselectivity is increased in substrates that are better able to stabilise the oxocarbenium ion of the acyclic intermediate and thermodynamics dictate the stereochemical orientation of the anomeric centre formed.

Youwei Xie, from the Floreancig group, has extended this methodology to enable the construction of bi- and tricyclic structures in good to excellent levels of stereocontrol.

construction of bi- and tricyclic structures  

This methodology enables the synthesis of complex three-dimensional architectures from starting materials containing pre-installed stereocentres. Additionally, a number of biologically active compounds such as didemniserinolipids and pinnatoxins contain bridged bicyclic cores that could be accessed using this chemistry.

Researcher’s perspective:
“It was inspiring to find that allylic alcohol isomerisation could be applied to the construction of so many useful organic substructures. We were very excited to discover that pre-installed stereocentres are capable of controlling new stereocentres through thermodynamically driven equilibration, since this process allows for complex molecule synthesis and minimises the use of chiral reagents.” Youwei Xie

Posted on behalf of Alice E. Williamson, Chemical Science web writer.

Download the group’s Chemical Science Edge article for free.

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Chemical Science wins prestigious ‘best new journal’ award

The Royal Society of Chemistry’s new flagship journal Chemical Science won ‘Best New Journal’  last night at a prestigious publishing awards ceremony.

The Association of Learned and Professional Society Publishers (ALPSP) praised Chemical Science for its relevance and quality.

“Launched to present high quality cutting edge research across the chemical sciences, it has achieved swift success. There are very close links with the community and the journal is clearly defined by the science and the user,” said ALPSP in the award citation on their website.

Dr Robert Eagling, Managing Editor of Chemical Science, said: “We are thrilled to receive this prestigious award against such tough competition. This is the culmination of over three years’ hard work by the team, and I thank them all for their efforts.
 
“I would also like to extend a special thanks to the Associate Editors and, in particular, the Editor-in-Chief, Professor David MacMillan, who have been instrumental in getting Chemical Science where it is today.”

Chemical Science publishes original research articles of exceptional significance from across the chemical sciences. The journal helps to define the important areas by publishing the most significant cutting-edge research. Submissions must appeal to the general chemical science community, or be of exceptional interest to specialist researchers.

Launched last year with a groundbreaking series of three conferences held in three continents over three sequential weeks – the ‘International Symposia on Advancing the Chemical Sciences’ (ISACS) - Chemical Science has already established itself as the home of truly excellent chemical science research. A further three international conferences were held earlier this year, in Boston, Manchester and Beijing, with planning for the 2012 events well underway.

James Milne receives the award from Hazel Woodward, chair of the judging panel and University Librarian and Director of Cranfield Press

Dr James Milne, RSC’s Acting Managing Director of publishing, said: “This award is worthy recognition of the incredible efforts of everyone involved in making Chemical Science the success it has so quickly become – our authors, reviewers and the journal’s dynamic editorial board.
 
“It is also great recognition for the exceptional service provided by the RSC’s dedicated editorial, production and marketing staff; providing authors and customers with the best experience possible whenever they interact with this new leading journal for the chemical sciences.”

The ALPSP Award for Best New Journal is open to any peer-reviewed journal launched in the last 1-3 years. The judges consider the main aspects of the journal including its launch: market research, editorial strategy, marketing and commercial success.

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Top ten most accessed articles in July

This month sees the following articles in Chemical Science that are in the top ten most accessed:-

A practical, convergent route to the key precursor to the tetracycline antibiotics
David A. Kummer, Derun Li, Amelie Dion and Andrew G. Myers
Chem. Sci., 2011, 2, 1710-1718, DOI: 10.1039/C1SC00303H

Enantioselective bromination/semipinacol rearrangement for the synthesis of ß-bromoketones containing an all-a-carbon quaternary center
Hui Li, Fu-Min Zhang, Yong-Qiang Tu, Qing-Wei Zhang, Zhi-Min Chen, Zhi-Hua Chen and Jian Li
Chem. Sci., 2011, 2, 1839-1841, DOI: 10.1039/C1SC00295C

Catalytic asymmetric [4 + 2] additions with aliphatic nitroalkenes
Keith J. Bartelson, Ravi P. Singh, Bruce M. Foxman and Li Deng
Chem. Sci., 2011, 2, 1940-1944, DOI: 10.1039/C1SC00326G

Enantioselective Mannich reaction of a highly reactive Horner–Wadsworth–Emmons reagent with imines catalyzed by a bifunctional thiourea
Depeng Zhao, Dongxu Yang, Yijie Wang, Yuan Wang, Linqing Wang, Lijuan Mao and Rui Wang
Chem. Sci., 2011, 2, 1918-1921, DOI: 10.1039/C1SC00351H

Dialkylbiaryl phosphines in Pd-catalyzed amination: a user’s guide
David S. Surry and Stephen L. Buchwald
Chem. Sci., 2011, 2, 27-50, DOI: 10.1039/C0SC00331J

Phosphine-catalyzed one-pot isomerization of 3-alkynoates and [2 + 3]-cycloaddition with imines: formal synthesis of Securinega alkaloid (±)-allosecurinine
Magesh Sampath, Pei-Ying Beatrix Lee and Teck-Peng Loh
Chem. Sci., 2011, 2, 1988-1991, DOI: 10.1039/C1SC00311A

Tunable, shape-shifting capsule for dicarboxylates
Qi-Qiang Wang, Victor W. Day and Kristin Bowman-James
Chem. Sci., 2011, 2, 1735-1738, DOI: 10.1039/C1SC00292A

The intramolecular asymmetric allylation of aldehydes via organo-SOMO catalysis: A novel approach to ring construction
Phong V. Pham, Kate Ashton and David W. C. MacMillan
Chem. Sci., 2011, 2, 1470-1473, DOI: 10.1039/C1SC00176K

A synthesis of strychnine by a longest linear sequence of six steps
David B. C. Martin and Christopher D. Vanderwal
Chem. Sci., 2011, 2, 649-651, DOI: 10.1039/C1SC00009H

Band gap engineering in fluorescent conjugated microporous polymers
Jia-Xing Jiang, Abbie Trewin, Dave J. Adams and Andrew I. Cooper
Chem. Sci., 2011, 2, 1777-1781, DOI: 10.1039/C1SC00329A

Why not take a look at the articles today and blog your thoughts and comments below.

Fancy submitting an article to Chemical Science? Then why not submit to us today or alternatively contact us with your suggestions.

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1st Chemical Science Symposium

This month, Nanjing University, China hosted the 1st Chemical Science Symposium. Nine of the world’s leading scientists in organic materials and supramolecular chemistry presented their research over the course of the day. The morning was kick-started by Professor Colin Nuckolls, Associate Editor for Chemical Science, who spoke about his latest work on nanostructured carbon. Next to take the floor was Dr Scott Dalgarno who delivered his ChemComm Emerging Investigator award lecture on metal–organic calixarene assemblies. The day was rich with outstanding quality research and ranged from non-covalent supramolecular systems (Professor Bert Meijer) to artificial cellular organelles (Professor van Hest).

 

Chemical Science would like to say a big “thank you” to all of the speakers and local organisers, in particular Professors Wenbing Hu and Zijian Guo for all of their efforts.

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Bringing DNA to life – an interview with Clyde Hutchison

In July I met up with Clyde Hutchison (J. Craig Venter Institute) at ISACS5 in Manchester, UK. He gave a great talk at the meeting and afterwards I caught up with him to find out more about his career. A short excerpt from the interview is copied below but you can read the full version in Chemistry World.

Clyde Hutchison Clyde Hutchison is a distinguished professor at the J. Craig Venter Institute, San Diego, US, and is also Kenan Professor Emeritus at the University of North Carolina, Chapel Hill. His research focuses on the search for improved methods to learn about gene function from DNA sequence information.

Why did you decide to become a scientist?

My father was a chemist. He called himself a chemical physicist. He worked on paramagnetic resonance absorption problems and did some really major work in that area. He always encouraged me to learn about science. As a physical scientist, he had a tendency to think of biology as a bit on the messy side. I think in the end, though, he came to like what I did.

You did an undergraduate degree in physics. How did you make the transition to synthetic biology?

I knew I wanted to be a scientist but I didn’t know I wanted to be a biologist. I was also considering a maths major but it came down to office hours. At Yale there was a particular day that you had to declare your major field of study and before you did so, you had to go and speak to the advisor in that field. The physics advisor’s office hours ended later than the maths advisor’s so that’s why I chose physics.

To find out how Professor Hutchison ended up being a biologist, read the full interview.

For more information about ISACS5, check out my conference blog.

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Changing polymer’s backbone to improve organic electronic devices

Incorporating selenium into a polymer backbone can improve the polymer’s electron transport and could lead to improved organic electronics, reports scientists from the UK and Australia.

Ambipolar conjugated polymers, which can transport both holes and electrons, are of great interest as a method to mimic silicon-based logic circuits. Thiophene copolymers have been shown to be good hole transporters but are let down by their ability to transport electrons. 

Replacing thiophene with selenophene results in a significant reduction in polymer band gap, enabling the polymers to effectively transport electrons as well as holes. The resulting polymers display one of the highest hole mobilities reported for any device structure.

Graphical abstract: Low band gap selenophene–diketopyrrolopyrrole polymers exhibiting high and balanced ambipolar performance in bottom-gate transistors

Download the Chemical Science Edge article to find out more.

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