Nature Chemistry Contents January 2012 Volume 5 Number 1 pp 1-76

TABLE OF CONTENTS January 2013 Volume 5, Issue 1 Thesis Research Highlights Blogroll News and Views Articles Erratum In Your Element Subscribe   Facebook   RSS   Recommend to library   Twitter   Advertisement We've got something to show you...! SEARCH - EXPLORE - DISCOVER - IDENTIFY Tap in to find out more   Thesis Top Life, the Universe and nomenclature   pp1 - 2 Bruce C. Gibb doi:10.1038/nchem.1530 Bruce Gibb discusses how and why chemists name reactions and molecules — and what makes such monikers stick. Research Highlights Top Structure determination: Adjudazol assignment | Biomass imaging: In-depth description | Antioxidants: Working shifts | Biofuels: Converting the biomasses Blogroll Top Blogroll: Real-time chemistry   p5 Adam Azman doi:10.1038/nchem.1534 News and Views Top Enzyme cofactors: Double-edged sword for catalysis   pp6 - 7 Ivaylo Ivanov doi:10.1038/nchem.1529 The metal cofactors responsible for the activity of CDK2 — a representative member of the kinase superfamily of enzymes — have now been shown to also have inhibitory effects during the catalytic cycle. Spin states: Discussion of an open problem   pp7 - 9 Miquel Costas and Jeremy N. Harvey doi:10.1038/nchem.1533 Quantum mechanics rears its head in many places and one of them is inorganic chemistry, where the electronic spin associated with unpaired electrons has a profound influence. This was the topic of the 2012 CECAM workshop. Drug discovery: Nature's pieces   pp9 - 10 Brian K. Shoichet doi:10.1038/nchem.1537 Natural products contain a range of chemical structures optimized for biological interactions. Fragmenting these compounds could help to combine this diversity with the broad coverage of chemical space offered by fragment-based drug discovery, and help to improve the efficiency with which screening hits can become successful drugs. See also: Article by Over et al. Biosynthesis: Imaging cell-wall biosynthesis live   pp10 - 12 Timothy D. H. Bugg doi:10.1038/nchem.1538 The biosynthesis of peptidoglycan is an important step in bacterial cell division and cell-wall maturation. Now it has been shown that fluorescent D-amino acids can be used to label the peptidoglycan cell wall of living bacteria, providing a new tool to study this important process. Mechanochemical synthesis: How grinding evolves   pp12 - 14 Kenneth D. M. Harris doi:10.1038/nchem.1539 An experimental set-up has been devised to monitor mechanochemical processes in situ, yielding direct insights into mechanistic and kinetic aspects of solid-state reactions that are promoted by grinding, such as the synthesis of metal-organic frameworks. See also: Article by Frišcic et al. Chemistry JOBS of the week PhD Studentship in Chemistry University of Glasgow Chemistry teacher Campus Moragete Cardiff University School of Chemistry, BBSRC iCase PhD Studentship: Electrochemical detection of microRNA (PhD Studentship) Cardiff School of Chemistry Assistant, Associate, or Full Professor of Pharmaceutical Sciences (Medicinal Chemistry) University of Hawaii at Hilo, College of Pharmacy PhD Studentships in Nuclear Chemistry / Nuclear Engineering Lancaster University More Science jobs from Chemistry EVENT 4th International Conference for Young Chemists (ICYC) 30.01.-01.02.13 Penang, Malaysia More science events from Articles Top Protonation-coupled redox reactions in planar antiaromatic meso-pentafluorophenyl-substituted o-phenylene-bridged annulated rosarins   pp15 - 20 Masatoshi Ishida, Soo-Jin Kim, Christian Preihs, Kei Ohkubo, Jong Min Lim, Byung Sun Lee, Jung Su Park, Vincent M. Lynch, Vladimir V. Roznyatovskiy, Tridib Sarma, Pradeepta K. Panda, Chang-Hee Lee, Shunichi Fukuzumi, Dongho Kim and Jonathan L. Sessler doi:10.1038/nchem.1501 A 24 π-electron antiaromatic hexaphyrin derivative (rosarin) with a near-planar geometry enforced by bridging phenylene groups has been shown to undergo a proton-coupled electron transfer reduction when treated with certain protic acids. The reduction proceeds in a stepwise fashion to give first a 25 π-electron non-aromatic system and then a 26 π-electron aromatic ring. Chemical compounds Natural-product-derived fragments for fragment-based ligand discovery   pp21 - 28 Björn Over, Stefan Wetzel, Christian Grütter, Yasushi Nakai, Steffen Renner, Daniel Rauh and Herbert Waldmann doi:10.1038/nchem.1506 Natural products populate areas of chemical space not occupied by average synthetic molecules. Here, an analysis of more than 180,000 natural product structures results in a library of 2,000 natural-product-derived fragments, which resemble the properties of the natural products themselves and give access to novel inhibitor chemotypes. Chemical compounds See also: News and Views by Shoichet A ‘clusters-in-liquid’ method for calculating infrared spectra identifies the proton-transfer mode in acidic aqueous solutions   pp29 - 35 Waldemar Kulig and Noam Agmon doi:10.1038/nchem.1503 The infrared spectra of gas-phase protonated water clusters and protonated liquid water have been calculated from molecular simulations using a ‘clusters-in-liquid’ approach, which is restricted to a selected set of charged atoms. The infrared absorption due to the central proton in the H2O···H+···OH2 moiety is found near 1,740 cm−1. Submolecular control, spectroscopy and imaging of bond-selective chemistry in single functionalized molecules   pp36 - 41 Ying Jiang, Qing Huan, Laura Fabris, Guillermo C. Bazan and Wilson Ho doi:10.1038/nchem.1488 The selective dissociation and formation of different functional groups in a single organic molecule may prove useful for making nanoscale devices and offer new opportunities for studying changes in electronic structure. It has now been shown that bond-selective chemistry can be induced and visualized at the submolecular level in a complex thiol-based molecule using a scanning tunnelling microscope. Halogen-bonding-triggered supramolecular gel formation   pp42 - 47 Lorenzo Meazza, Jonathan A. Foster, Katharina Fucke, Pierangelo Metrangolo, Giuseppe Resnati and Jonathan W. Steed doi:10.1038/nchem.1496 Supramolecular gels whose properties can be tuned through non-covalent interactions — typically metal coordination or hydrogen bonding — are attracting attention in various fields. Researchers have now shown that halogen bonding is also strong enough to be relied on; it interferes with competitive, gel-inhibitory hydrogen bonding to induce co-gelation between two urea-based components. Chemical compounds Molecular engineering of a cobalt-based electrocatalytic nanomaterial for H2 evolution under fully aqueous conditions   pp48 - 53 Eugen S. Andreiadis, Pierre-André Jacques, Phong D. Tran, Adeline Leyris, Murielle Chavarot-Kerlidou, Bruno Jousselme, Muriel Matheron, Jacques Pécaut, Serge Palacin, Marc Fontecave and Vincent Artero doi:10.1038/nchem.1481 Efficient hydrogen-evolving catalysts comprising readily available elements are needed if hydrogen is to be adopted as a clean alternative to fossil fuels. Now, a diimine–dioxime cobalt complex has been covalently attached to a carbon nanotube electrode to yield an active and robust electrocatalyst for hydrogen generation (55,000 turnovers in seven hours) from aqueous solutions. Chemical compounds Regioselective reactions of 3,4-pyridynes enabled by the aryne distortion model   pp54 - 60 Adam E. Goetz and Neil K. Garg doi:10.1038/nchem.1504 The in situ trapping of pyridynes is an efficient method for the generation of a variety of substituted pyridines but, until now, the method has been hampered by a lack of regiocontrol. Here, proximal halide and sulfamate substituents are shown to perturb pyridyne distortion and thus govern regioselectivities in pyridyne reactions. Chemical compounds Stability of xenon oxides at high pressures   pp61 - 65 Qiang Zhu, Daniel Y. Jung, Artem R. Oganov, Colin W. Glass, Carlo Gatti and Andriy O. Lyakhov doi:10.1038/nchem.1497 Xenon is an inert element at ambient conditions but may become reactive under pressure. It has now been predicted that pressure stabilizes increasing oxidation states of Xe atoms (from Xe0 to Xe2+ to Xe4+ to Xe6+), and thus a series of compounds — XeO, XeO2 and XeO3 — become thermodynamically stable at megabar pressures. Real-time and in situ monitoring of mechanochemical milling reactions   pp66 - 73 Tomislav Frišcić, Ivan Halasz, Patrick J. Beldon, Ana M. Belenguer, Frank Adams, Simon A.J. Kimber, Veijo Honkimäki and Robert E. Dinnebier doi:10.1038/nchem.1505 Milling and grinding, long used to alter the chemical and physical properties of materials, have recently garnered interest as alternatives to traditional solution-based syntheses — but these reactions remain difficult to monitor. High-energy synchrotron X-ray radiation has now enabled the in situ observation, in real time, of solid-state transformations occurring during the mechanochemical syntheses of metal-organic frameworks. Chemical compounds See also: News and Views by Harris Erratum Top Combinatorial evolution of site- and enantioselective catalysts for polyene epoxidation   p74 Phillip A. Lichtor and Scott J. Miller doi:10.1038/nchem.1532 In Your Element Top The allure of aluminium   p76 Daniel Rabinovich doi:10.1038/nchem.1535 Daniel Rabinovich outlines the history, properties and uses of aluminium — one of the most versatile, pervasive and inexpensive metals today, yet it was considered a rare and costly element only 150 years ago. 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