Archive for February, 2014

Chemistry of water

We are delighted to share with you a series of collections of recent books, themed issues and articles on the topic of water.  These four collections – one per month – demonstrate different aspects of water: its chemistry, its wide use in reactions and as a solvent, its relationship with energy and sustainability, as well as with human health and the environment.

Image (c) Shutterstock

Here, in our first collection, we have assembled some of the groundbreaking research and transformative reviews related to the fundamental chemistry of water – including its interfacial behaviour and thermodynamics – from across our journals.

“This collection showcases highly topical and significant papers we have recently published on the underlying, essential chemistry of water, ” says Dr Robert Eagling, Managing Editor for Chemical Science, Chemical Communications, and Chemical Society Reviews.  “Authored by some of the leading scientists in the field, we hope that these articles will be of broad interest and of great use to all researchers – those who have spent years actively investigating the chemistry of water, as well as university or graduate students who may have just entered into this exciting field of research.”

“This year, as the IPCC prepares to release the final contributions to their Fifth Assessment Report on climate change, it is timely to consider the role of chemistry in addressing global challenges, such as food, water, raw materials and energy,” remarks Professor Lesley Yellowlees, President of the Royal Society of Chemistry.  “This collection from our journals shares the latest research from scientists around the world, aiming to tackle these challenges. Featuring original research and commentary by leaders in the field, we hope that you will find this high-quality collection engaging, inspirational and informative.”

You can read all of these articles for free until 23 March 2014!  We truly hope you enjoy this collection.

Did you know that the RSC has put together a webpage on Water, which brings together information on activities for scientists, policymakers, educators and young people? Take a look today…

Related themed issuesGA?id=C1CP22168J

These themed issues may be of interest – have a look…

PCCP 2011 themed issue on ice and water

PCCP 2012 themed issue on the interfaces of ionic liquids

PCCP 2012 themed issue on hydrogen bonding in electronically excited states

Reviews and Perspectives

Chemistry in solution: recent techniques and applications using soft X-ray spectroscopy
Kathrin M. Lange, Alexander Kothe and Emad F. Aziz
Phys. Chem. Chem. Phys., 2012,14, 5331-5338
DOI: 10.1039/C2CP24028A, Perspective

Pressure amorphized ices – an atomistic perspective
John S. Tse and Dennis D. Klug
Phys. Chem. Chem. Phys., 2012,14, 8255-8263GA?id=C2CP43235H
DOI: 10.1039/C2CP40201G, Perspective

Deeply-cooled water under strong confinement: neutron scattering investigations and the liquid–liquid critical point hypothesis
Christopher E. Bertrand, Yang Zhang and Sow-Hsin Chen
Phys. Chem. Chem. Phys., 2013,15, 721-745
DOI: 10.1039/C2CP43235H, Perspective

On the nature and signatures of the solvated electron in water
B. Abel, U. Buck, A. L. Sobolewski and W. Domcke
Phys. Chem. Chem. Phys., 2012,14, 22-34
DOI: 10.1039/C1CP21803D, Perspective

Oil–water interfacial self-assembly: a novel strategy for nanofilm and nanodevice fabrication
Linfeng Hu, Min Chen, Xiaosheng Fang and Limin Wu
Chem. Soc. Rev., 2012,41, 1350-1362GA?id=C0SM00558D
DOI: 10.1039/C1CS15189D, Critical Review

Very small bubbles at surfaces—the nanobubble puzzle
Vincent Stuart James Craig
Soft Matter, 2011, 7, 40-48
DOI: 10.1039/C0SM00558D, Tutorial Review

Original research articles

GA?id=C2SC20399EExperimental and quantum chemical characterization of the water oxidation cycle catalysed by [RuII(damp)(bpy)(H2O)]2+
Laura Vigara, Mehmed Z. Ertem, Nora Planas, Fernando Bozoglian, Nils Leidel, Holger Dau, Michael Haumann, Laura Gagliardi, Christopher J. Cramer and Antoni Llobet
Chem. Sci., 2012,3, 2576-2586
DOI: 10.1039/C2SC20399E, Edge Article
From themed collection Physical Chemistry

Inhibition of ice nucleation by slippery liquid-infused porous surfaces (SLIPS)
Peter W. Wilson, Weizhe Lu, Haojun Xu, Philseok Kim, Michael J. Kreder, Jack Alvarenga and Joanna Aizenberg
Phys. Chem. Chem. Phys., 2013,15, 581-585
DOI: 10.1039/C2CP43586A, Paper

GA?id=C3SC52287CAbsolute Redox Potential of Liquid Water: A First-Principles Theory
Michael Lucking, Yiyang Sun, Damien West and Shengbai Zhang
Chem. Sci., 2013, Accepted Manuscript
DOI: 10.1039/C3SC52287C, Edge Article

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., 2012,3, 93-102
DOI: 10.1039/C1SC00355K, Edge Article
From themed collection Physical Chemistry

GA?id=C0SC00604AStructural trends of ionized water networks: Infrared spectroscopy of water cluster radical cations (H2O)n+ (n = 3–11)
Kenta Mizuse, Jer-Lai Kuo and Asuka Fujii
Chem. Sci., 2011,2, 868-876
DOI: 10.1039/C0SC00604A, Edge Article

Cold crystallisation behaviour of water molecules in ionic liquids as a screening method to evaluate biocompatibility of the hydrated ionic liquids
Kyoko Fujita, Yohsuke Nikawa and Hiroyuki Ohno
Chem. Commun., 2013,49, 3257-3259
DOI: 10.1039/C3CC39033K, Communication

Dual stimuli-responsive phase transition of an ionic liquid/water mixture
Yuki Kohno, Hiroki Arai and Hiroyuki Ohno
Chem. Commun., 2011,47, 4772-4774
DOI: 10.1039/C1CC10613A, Communication

Water droplet bouncing—a definition for superhydrophobic surfaces
Colin R. Crick and Ivan P. Parkin
Chem. Commun., 2011,47, 12059-12061
DOI: 10.1039/C1CC14749H, Communication


Cubic Dipole Lattice of Water Molecules Trapped inside Carbon Cages
Shinobu Aoyagi, Norihisa Hoshino, Tomoyuki Akutagawa, Yuki Sado, Ryo Kitaura, Hisanori Shinohara, Kunihisa Sugimoto, Rui Zhang and Yasujiro Murata
Chem. Commun., 2013, Accepted Manuscript
DOI: 10.1039/C3CC46683C, Communication

Electrocatalytic oxidation of water observed on a nano-gold/palladium electrode
Yosuke Nakayama and Munetaka Oyama
Chem. Commun., 2013,49, 5228-5230
DOI: 10.1039/C3CC42149J, Communication

Me2–NHC based robust Ir catalyst for efficient water oxidation
Dennis G. H. Hetterscheid and Joost N. H. Reek
Chem. Commun., 2011,47, 2712-2714
DOI: 10.1039/C0CC05108J, Communication

GA?id=C1SM05096FNanoscale condensation of water on self-assembled monolayers
Michael James, Tamim A. Darwish, Simone Ciampi, Sven O. Sylvester, Zhaoming Zhang, Albert Ng, J. Justin Gooding and Tracey L. Hanley
Soft Matter, 2011,7, 5309-5318
DOI: 10.1039/C1SM05096F, Paper

Droplet emission induced by ultrafast spreading on a superhydrophilic surface
Ruize Sun, Hao Bai, Jie Ju and Lei Jiang
Soft Matter, 2013,9, 9285-9289
DOI: 10.1039/C3SM51409A, Communication

Dynamics of water confined to reverse AOT micelles
Tinka Luise Spehr, Bernhard Frick, Michaela Zamponi and Bernd Stühn
Soft Matter, 2011, 7, 5745-5755
DOI: 10.1039/C1SM05204G, Paper

GA?id=C1JA10242GDirect chemical analysis of frozen ice cores by UV-laser ablation ICPMS
Wolfgang Müller, J. Michael G. Shelley and Sune Olander Rasmussen
J. Anal. At. Spectrom., 2011, 26, 2391-2395
DOI: 10.1039/C1JA10242G

Determination of Fe2+ and Fe3+ species by FIA-CRC-ICP-MS in Antarctic ice samples
Andrea Spolaor, Paul Vallelonga, Jacopo Gabrieli, Giulio Cozzi, Claude Boutron and Carlo Barbante
J. Anal. At. Spectrom., 2012, 27, 310-317
DOI: 10.1039/C1JA10276A

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Small molecules stop cervical cancer virus assembling

Pillarene image

Proteins L1 and L2 form pentamers that arrange to form the viral particle © Shutterstock

Researchers in China have disrupted the life cycle of the leading cause of cervical cancer – the human papilloma virus – using a macrocyclic molecule called a pillarene. The team hope their findings will offer new prophylactic avenues against the virus.There are over 100 different types of the human papilloma virus (HPV), 40 of which can be sexually transmitted. Most infections are symptomless and do not result in disease. However, a few types of the virus are known to cause changes in cells that can lead to cervical and throat cancer. HPV types 16 and 18 cause 70% of cervical cancer cases. 

Vaccination programmes against types 16 and 18 have recently become available to teenage girls in some countries. However, as one of the lead scientists on the pillarene project Ying-Wei Yang at Jilin University, China, explains, there is an urgent need for alternatives: ‘the current HPV vaccines are type-specific, expensive and require cold chain transportation, so are not very helpful, especially in developing countries where most cervical cancers occur.’ 

 HPV is made up of two proteins, L1 and L2. These assemble into pentamers to form the virus particles that then attach to cells, resulting in infection. Some researchers believe that disrupting the assembly of the virus using molecules that bind to these two proteins might be the key to stopping it in its tracks.  

 CP5A, a carboxylatopillar[5]arene sodium salt, has a 3D, rigid and π-rich cavity that binds to amino acids 

 The pillarene derivative, CP5A, was tested as it is known to have high water solubility and show selective binding towards basic amino acids, like l-Lysine, l-arginine and l-histidine. Because of these properties, CP5A binds to the exposed basic amino acids in protein L1, preventing pentamer formation, and therefore stopping the creation of viral particles. 

 The team hope to screen other small molecules to find inhibitors for more specific binding sites on the interface between L1 and L2. Their long term aim is to use one of these to produce a HPV vaccine. 

 Margaret Stanley, a leading expert on the life cycle of human papilloma viruses at the University of Cambridge in the UK sees this study as valuable research for investigations on viral assembly. However, she cautions that the therapeutic value of these approaches is not clear. ‘Inhibiting viral assembly will significantly block transmission, but will not necessarily have any effect on infection level since viral genomes will still be present and potentially able to reactivate after the end of any treatment with inhibitors.’ 

 You can also read this article in Chemistry World» 

Read the original journal article in ChemComm – it’s free to download until 28th March:
Efficient inhibition of human papillomavirus 16 L1 pentamer formation by a carboxylatopillarene and a p-sulfonatocalixarene
Dong-Dong Zheng, Ding-Yi Fu, Yuqing Wu, Yu-Long Sun, Li-Li Tan, Ting Zhou, Shi-Qi Ma, Xiao Zha and Ying-Wei Yang  
Chem. Commun., 2014, Advance Article, DOI: 10.1039/C3CC49789E

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Yong-Qiang Tu: ChemComm Editor’s Choice

Yong-Qiang TuMeet our Associate Editor in Organic Chemistry: Yong-Qiang Tu

Professor Yong-Qiang Tu (Lanzhou University, China) handles submissions to Chemical Communications (ChemComm) in organic chemistry.

Yong-Qiang’s research interests centre on tandem rearrangement reactions and their application to the total syntheses of bioactive alkaloids, synthetic studies of biologically active natural products, and the construction of C-C and C-N bonds via C-H functionalisations. We invite you to submit your urgent research to his editorial office.

Read Yong-Qiang’s Editor’s Choice selection of ChemComm articles by clicking on the links below – all articles are FREE for a limited period!

ChemComm is the home of urgent high quality communications from across the chemical sciences. With a world-renowned reputation for quality and fast times to publication (average of 40 days), ChemComm is the ideal place to publish your research.

Yong-Qiang Tu’s Editor’s Choice:

Enantioselective total synthesis of (+)-brazilin, (−)-brazilein and (+)-brazilide A
Xuequan Wang, Hongbin Zhang, Xiaodong Yang, Jingfeng Zhao and Chengxue Pan  
DOI: 10.1039/C3CC42385A

Domino Rh-catalyzed hydroformylation–double cyclization of o-amino cinnamyl derivatives: applications to the formal total syntheses of physostigmine and physovenine
Wen-Hua Chiou, Chien-Lun Kao, Jui-Chi Tsai and Yun-Man Chang  
DOI: 10.1039/C3CC43257B

An organocatalytic asymmetric sequential allylic alkylation–cyclization of Morita–Baylis–Hillman carbonates and 3-hydroxyoxindoles
Qi-Lin Wang, Lin Peng, Fei-Ying Wang, Ming-Liang Zhang, Li-Na Jia, Fang Tian, Xiao-Ying Xu and Li-Xin Wang   
DOI: 10.1039/C3CC45139A

A modular total synthesis of (±)-trigonoliimine C
B. Narendraprasad Reddy and Chepuri V. Ramana  
DOI: 10.1039/C3CC45512B

Synthetic modification of salinomycin: selective O-acylation and biological evaluation
Björn Borgström, Xiaoli Huang, Martin Pošta, Cecilia Hegardt, Stina Oredsson and Daniel Strand  
DOI: 10.1039/C3CC45983G

Highly enantioselective synthesis of chiral 7-ring O- and N-heterocycles by a one-pot nitro-Michael–cyclization tandem reaction
Renate Rohlmann, Constantin-Gabriel Daniliuc and Olga García Mancheño  
DOI: 10.1039/C3CC47397J

A new versatile approach to synthesise enantioenriched 3-hydroxyoxindoles, 1,3-dihydroisobenzofuran and 3-isochromanone derivatives by a rhodium-catalyzed asymmetric arylation–cyclization sequence
Yi Li, Dong-Xing Zhu and Ming-Hua Xu  
DOI: 10.1039/C3CC47927G

Enantioselective total synthesis of virosaine A and bubbialidine
Hideki Miyatake-Ondozabal, Linda M. Bannwarta and Karl Gademann
DOI: 10.1039/C3CC38783F

A catalytic multicomponent coupling reaction for the enantioselective synthesis of spiroacetals  
Lara Cala, Abraham Mendoza, Francisco J. Fañanás and Félix Rodríguez  
DOI: 10.1039/C3CC00118K

An easy access to fluoroalkanes by deoxygenative hydrofluorination of carbonyl compounds via their tosylhydrazones
Arvind K. Yadav, Vishnu P. Srivastava and Lal Dhar S. Yadav
DOI: 10.1039/C3CC00122A

You might also be interested in these ChemComm Themed Collections:

Guest edited by Keiji Maruoka, Hisashi Yamamoto, Liu-Zhu Gong and Benjamin List

Nucleic acids: new life, new materials
Guest edited by Mike Gait, Makoto Komiyama, David Liu, Jason Micklefield, Ned Seeman and Oliver Seitz

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Metal-organic frameworks (MOFs): ChemComm web-themed issue

We would like to celebrate with our authors and the community our web themed collection entitled “Metal-organic frameworks” recently published in ChemComm.

The issue was Guest Edited by Neil Champness (University of Nottingham, UK), Christian Serre (University of Versailles, France) and Seth Cohen (University of California, San Diego, USA), and contains an impressive collection of articles, including:

Feature Articles:

MOFs for CO2 capture and separation from flue gas mixtures: the effect of multifunctional sites on their adsorption capacity and selectivity
Zhijuan Zhang, Yonggang Zhao, Qihan Gong, Zhong Li and Jing Li
Chem. Commun., 2013, 49, 653-661, DOI: 10.1039/C2CC35561B

Commercial metal–organic frameworks as heterogeneous catalysts
Amarajothi Dhakshinamoorthy, Mercedes Alvaro and Hermenegildo Garcia
Chem. Commun., 2012, 48, 11275-11288, DOI: 10.1039/C2CC34329K


Understanding excess uptake maxima for hydrogen adsorption isotherms in frameworks with rht topology
David Fairen-Jimenez, Yamil J. Colón, Omar K. Farha, Youn-Sang Bae, Joseph T. Hupp and Randall Q. Snurr
Chem. Commun., 2012, 48, 10496-10498, DOI: 10.1039/C2CC35711A

Targeted functionalisation of a hierarchically-structured porous coordination polymer crystal enhances its entire function
Kenji Hirai, Shuhei Furukawa, Mio Kondo, Mikhail Meilikhov, Yoko Sakata, Osami Sakata and Susumu Kitagawa
Chem. Commun., 2012, 48, 6472-6474, DOI: 10.1039/C2CC31421E

Take a look at the excellent work published in this themed collection:

We encourage you to share the link to this collection with your colleagues.

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Crystal structure highlights buckycatcher’s flexibility

The molecule will readily adjust the size of its opening to accommodate its guest

Chemists in the US have successfully isolated the first anion of a distinctive type of pincer molecule, known as a buckycatcher, and confirmed the extraordinary flexibility it has for encapsulating guest molecules.

The buckycatcher in this study (C60H28) consists of a tetrabenzocyclooctaraene tether that links two corannulene (the smallest and most studied buckybowl) pincers. In previous attempts to isolate this molecule, researchers have had difficulties with solvate formation, as solvents fill the large empty cleft that the buckycatcher uses to encapsulate guest molecules. However, Marina Petrukhina, and co-workers at the University at Albany, State University of New York, have finally managed to elucidate the structure of this rather interesting molecule by developing and carrying out a rather arduous solvent-free method that involved growing the crystals in a vacuum over several months.

The buckycatcher’s flexibiliy has been suggested before, but Petrukhina‘s team provide the first experimental evidence for the adjustability of the tetrabenzocyclooctaraene tether that connects its coranulene pincers and allows them to move closer or further apart to catch guest species.

Read the full article in Chemistry World»

Read the original journal article in ChemComm:
An unsolvated buckycatcher and its first dianion
Alexander V. Zabula, Yulia V. Sevryugina, Sarah N. Spisak, Lesya Kobryn, Renata Sygula, Andrzej Sygula and Marina A. Petrukhina  
Chem. Commun., 2014, Advance Article, DOI: 10.1039/C3CC49451A, Communication

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