Excellence in Publishing with ChemXChem

  • Author: Lisa Abel, Meghan Campbell, Neville Compton, Guido Kemeling, Kate Lawrence, Natalia Ortúzar, Michael Rowan, Marisa Spiniello, and Kira Welter
  • Published Date: 27 November 2014
  • Copyright: Wiley-VCH Verlag GmbH & Co. KGaA
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The following articles are free to read until the end of February 2015.

Best of ChemXChem 2013




Fluorescent Amino Acids: Modular Building Blocks for the Assembly of New Tools for Chemical Biology

Fluorescent Amino Acids: Modular Building Blocks for the Assembly of New Tools for Chemical Biology

Andrew T. Krueger, Barbara Imperiali*

In living color: The ubiquity of peptide–protein and protein–protein interactions in complex biological processes has made them important targets for fluorescence labeling. This review describes recent advances in design, properties, and applications in the area of fluorescent amino acids (FlAAs).

ChemBioChem 2013, 14, 788–799, doi: 10.1002/cbic.201300079 [Review]




Structures of KOD and 9°N DNA Polymerases Complexed with Primer Template Duplex

Structures of KOD and 9°N DNA Polymerases Complexed with Primer Template Duplex

Konrad Bergen, Karin Betz, Wolfram Welte, Kay Diederichs, Andreas Marx*

Replicate it: Structures of KOD and 9°N DNA polymerases, two enzymes that are widely used to replicate DNA with highly modified nucleotides, were solved at high resolution in complex with primer/template duplex. The data elucidate substrate interaction of the two enzymes and pave the way for further optimisation of the enzymes and substrates.

ChemBioChem 2013, 14, 1058–1062, doi: 10.1002/cbic.201300175 [Communication]




Using a Fragment‐Based Approach To Target Protein–Protein Interactions

Using a Fragment‐Based Approach To Target Protein–Protein Interactions

Duncan E. Scott, Matthias T. Ehebauer, Tara Pukala, May Marsh, Tom L. Blundell, Ashok R. Venkitaraman, Chris Abell, Marko Hyvönen*

Divide and conquer: Using a surrogate protein of Rad51, we created a fragment screening methodology to identify and biophysically validate fragments that bind in a small surface pocket involved in the interaction with the tumour suppressor BRCA2. A range of biophysical techniques including thermal shift, STD NMR spectroscopy, ITC and X‐ray crystallography was employed.

ChemBioChem 2013, 14, 332–342, doi: 10.1002/cbic.201200521 [Full Paper]




Surface‐Tension‐Confined Microfluidics and Their Applications

Surface‐Tension‐Confined Microfluidics and Their Applications

Inseong You, Nayeon Yun, Haeshin Lee*

Showing the way: Emerging microfluidic systems called surface‐tension‐confined microfluidic (STCM) devices are reviewed. STCM devices utilize surface energy that can control the movement of fluid droplets. Unlike conventional microfluidics, which confine the movement of fluids by three‐dimensional microchannels, STCM systems provide two‐dimensional platforms for microfluidics.

ChemPhysChem 2013, 14, 471–481, doi: 10.1002/cphc.201200929 [Minireview]




Elucidating Inorganic Nanoscale Species in Solution: Complementary and Corroborative Approaches

Elucidating Inorganic Nanoscale Species in Solution: Complementary and Corroborative Approaches

Anna F. Oliveri, Edward W. Elliott, Matthew E. Carnes, James E. Hutchison*, Darren W. Johnson*

SAXS sells: Defining the dimensions of a nanoscale material in solution is non‐trivial. Complementary size measurements may describe a number of different material dimensions such as that of the core, shell, or solvation sphere. The determination of the full range of material properties requires multiple techniques in order to corroborate solution and solid‐state structures.

ChemPhysChem 2013, 14, 2655–2661, doi: 10.1002/cphc.201300188 [Concept]




Nuclear Magnetic Resonance of Hydrogen Molecules Trapped inside C70 Fullerene Cages

Nuclear Magnetic Resonance of Hydrogen Molecules Trapped inside C70 Fullerene Cages

Salvatore Mamone*, Maria Concistrè, Ivo Heinmaa, Marina Carravetta, Ilya Kuprov, Gary Wall, Mark Denning, Xuegong Lei, Judy Y.‐C. Chen, Yongjun Li, Yasujiro Murata, Nicholas J. Turro , Malcolm H. Levitt

Rattling the cage: A solid‐state NMR study of H2 molecules confined inside the cavity of C70 fullerene cages over a wide range of temperatures (300 K to 4 K) is presented. The proton NMR spectra are consistent with a model in which the dipole–dipole coupling between the ortho‐H2 protons is averaged over the rotational/translational states of the confined quantum rotor.

ChemPhysChem 2013, 14, 3121–3130, doi: 10.1002/cphc.201300269 [Article]




Carboxylic Acid (Bio)Isosteres in Drug Design

Carboxylic Acid (Bio)Isosteres in Drug Design

Carlo Ballatore*, Donna M. Huryn, Amos B. Smith

A carboxylic switcheroo: Replacement of a carboxylic acid functional group in a drug or a drug candidate with an appropriate (bio)isostere can lead to derivatives with improved properties. As the outcome of any isosteric replacement cannot be readily predicted, the screening of a panel of isosteres is typically required. The availability of a relatively large set of potential carboxylic acid surrogates is thus critical to the success of the isosteric replacement strategy in drug design.

ChemMedChem 2013, 8, 385–395, doi: 10.1002/cmdc.201200585 [Minireview]




Discovery of NVP‐LEQ506, a Second‐Generation Inhibitor of Smoothened

Discovery of NVP‐LEQ506, a Second‐Generation Inhibitor of Smoothened

Stefan Peukert*, Feng He, Miao Dai, Rui Zhang, Yingchuan Sun, Karen Miller‐Moslin, Michael McEwan, Bharat Lagu, Kate Wang, Naeem Yusuff, Aaron Bourret, Arun Ramamurthy, Wieslawa Maniara, Adam Amaral, Anthony Vattay, Anlai Wang, Ribo Guo, Jing Yuan, John Green, Juliet Williams, Silvia Buonamici, Joseph F. Kelleher, Marion Dorsch

First disclosure: Continued optimization provided a novel type of Smoothened (Smo) antagonist based on a pyridazine core. The compound, NVP‐LEQ506, currently in phase I clinical trials, combines high intrinsic potency and good pharmacokinetic properties resulting in excellent efficacy in rodent tumor models of medulloblastoma. Activity against a Smo mutant conferring resistance observed in a previous clinical trial with a competitor compound suggests additional therapeutic potential.

ChemMedChem 2013, 8, 1261–1265, doi: 10.1002/cmdc.201300217 [Communication]




Fueling Open‐Source Drug Discovery: 177 Small‐Molecule Leads against Tuberculosis

Fueling Open‐Source Drug Discovery: 177 Small‐Molecule Leads against Tuberculosis

Lluís Ballell*, Robert H. Bates, Rob J. Young, Daniel Alvarez‐Gomez, Emilio Alvarez‐Ruiz, Vanessa Barroso, Delia Blanco, Benigno Crespo, Jaime Escribano, Rubén González, Sonia Lozano, Sophie Huss, Angel Santos‐Villarejo, José Julio Martín‐Plaza, Alfonso Mendoza, María José Rebollo‐Lopez, Modesto Remuiñan‐Blanco, José Luis Lavandera, Esther Pérez‐Herran, Francisco Javier Gamo‐Benito, José Francisco García‐Bustos, David Barros, Julia P. Castro, Nicholas Cammack

Needles from the haystack: As part of GlaxoSmithKline's commitment to open innovation research against neglected diseases such as TB, herein we report the results of a high‐throughput phenotypic screen of two million compounds. A set of 177 potent, non‐cytotoxic hits against Mycobacterium tuberculosis H37Rv are described. Samples of these compounds will be made available in an effort to promote further research against this critical disease.

ChemMedChem 2013, 8, 313–321, doi: 10.1002/cmdc.201200428 [Full Paper]




Shape‐Controlled Nanostructures in Heterogeneous Catalysis

Shape‐Controlled Nanostructures in Heterogeneous Catalysis

Francisco Zaera*

Controlling catalysis: Nanotechnology affords the preparation of nanomaterials with well‐defined sizes and shapes, and many of those nanomaterials are now used in heterogeneous catalysis. The major issues associated with the application of this nanotechnology to control the activity and selectivity of the resulting catalysts through the control of the shape and size of the nanostructures are surveyed.

ChemSusChem 2013, 6, 1797–1820, doi: 10.1002/cssc.201300398 [Review]




Nitrogen‐Doped Porous Carbon Nanosheets as Low‐Cost, High‐Performance Anode Material for Sodium‐Ion Batteries

Nitrogen‐Doped Porous Carbon Nanosheets as Low‐Cost, High‐Performance Anode Material for Sodium‐Ion Batteries

Heng‐guo Wang, Zhong Wu , Fan‐lu Meng , De‐long Ma , Xiao‐lei Huang , Li‐min Wang, Xin‐bo Zhang*

Between the sheets: Sodium‐ion batteries are an attractive, low‐cost alternative to lithium‐ion batteries. Nitrogen‐doped porous carbon sheets are prepared by chemical activation of polypyrrole‐functionalized graphene sheets. When using the sheets as anode material in sodium‐ion batteries, their unique compositional and structural features result in high reversible capacity, good cycling stability, and high rate capability.

ChemSusChem 2013, 6, 56–60, doi: 10.1002/cssc.201200680 [Communication]




Optimization of Hydrothermal Pretreatment of Lignocellulosic Biomass in the Bioethanol Production Process

Optimization of Hydrothermal Pretreatment of Lignocellulosic Biomass in the Bioethanol Production Process

Christos K. Nitsos, Konstantinos A. Matis, Kostas S. Triantafyllidis*

Green fuels and chemicals: The enzymatic digestibility of cellulose in lignocellulosic biomass towards fermentable glucose can be increased significantly by hydrothermal pretreatment in pure water under relatively mild conditions. Appropriate selection of the pretreatment temperature and time also leads to a process liquid that can be enriched in xylose or in furfural and acetic acid.

ChemSusChem 2013, 6, 110–122, doi: 10.1002/cssc.201200546 [Full Paper]




Carbon Nanomaterials in Catalysis: Proton Affinity, Chemical and Electronic Properties, and their Catalytic Consequences

Carbon Nanomaterials in Catalysis: Proton Affinity, Chemical and Electronic Properties, and their Catalytic Consequences

Jun Zhu, Anders Holmen, De Chen*

Tube strike: Carbon nanotubes and nanofibers are platform supports, for which the surface proton affinity and electron density can be manipulated by fine‐tuning of the CNT/CNF structure and surface functional groups. These properties can change the catalytic performance of the supported metal nanoparticles.

ChemCatChem 2013, 5, 378–401, doi: 10.1002/cctc.201200471 [Review]




Palladium‐Catalyzed, Ligand‐Controlled Chemoselective Oxidative Coupling Reactions of Benzene Derivatives with Acrylamides under an Oxygen Atmosphere

Palladium‐Catalyzed, Ligand‐Controlled Chemoselective Oxidative Coupling Reactions of Benzene Derivatives with Acrylamides under an Oxygen Atmosphere

Seiichiro Harada, Hiroki Yano, Yasushi Obora*

Under an oxygen umbrella: The Pd‐catalyzed aerobic oxidative coupling of benzene derivatives with acrylates provides an efficient and atom‐economical route to cinnamamides (see scheme). Readily available starting materials are used and molecular oxygen serves as the sole oxidant. By using this system, the chemoselective oxidative coupling reaction can provide either monoarylation or diarylation products simply by changing the molar ratio of Pd/acacH.

ChemCatChem 2013, 5, 121–125, doi: 10.1002/cctc.201200649 [Communication]




Flow Chemistry Syntheses of Styrenes, Unsymmetrical Stilbenes and Branched Aldehydes

Flow Chemistry Syntheses of Styrenes, Unsymmetrical Stilbenes and Branched Aldehydes

Samuel L. Bourne, Matthew O'Brien, Sivarajan Kasinathan, Peter Koos, Päivi Tolstoy, Dennis X. Hu, Roderick W. Bates, Benjamin Martin, Berthold Schenkel, Steven V. Ley*

Through the telescope: Two tandem flow chemistry processes are developed. A palladium‐catalyzed Heck reaction with ethylene gas provides an efficient synthesis for functionalized styrenes. By telescoping this reaction with either a second Heck reaction or a hydroformylation reaction in continuous flow mode, unsymmetrical stilbenes and branched aldehydes are accessed directly from the corresponding aryl iodides.

ChemCatChem 2013, 5, 159–172, doi: 10.1002/cctc.201200778 [Full Paper]




Molecular Catalytic Assemblies for Electrodriven Water Splitting

Molecular Catalytic Assemblies for Electrodriven Water Splitting

Khurram Saleem Joya*, Jose L. Vallés‐Pardo, Yasir F. Joya, Thomas Eisenmayer, Brijith Thomas, Francesco Buda*, Huub J. M. de Groot*

Splitting up: An overview of molecular catalytic assemblies for electrochemical water oxidation and an analysis of recent progress in catalyst design and performance are presented, including systems integration of modules for future stand‐alone solar‐to‐fuel conversion devices (see figure). The thermodynamics of intermediates and the mechanism of O–O bond formation are also described.

ChemPlusChem 2013, 78, 35–47, doi: 10.1002/cplu.201200161 [Minireview]




0D to 1D Switching of Hybrid Polyoxometalate Assemblies at the Nanoscale by Using Molecular Control

0D to 1D Switching of Hybrid Polyoxometalate Assemblies at the Nanoscale by Using Molecular Control

Wei Chen, Dui Ma, Jun Yan, Thomas Boyd, Leroy Cronin, De‐Liang Long, Yu‐Fei Song*

Watered down: Polyoxometalate (POM) hybrids based on [C16H36N]4[SiW11O40(SiCH2–CH2CH2NH2HCl)2] covalently functionalized with different lengths of alkyl chains (n=0, 5, or 10) terminated with azobenzene moieties have been successfully prepared (see picture). The assembly behavior of these POMs can be affected by hydrophobic and π–π interactions by finely tuning the lengths of the alkyl chains in different ratios of CH3CN/H2O.

ChemPlusChem 2013, 78, 1226–1229, doi: 10.1002/cplu.201300244 [Communication]




Preparation of Fluorescent Tubulin Binders

Preparation of Fluorescent Tubulin Binders

Elena Riva, Martin Mattarella, Stella Borrelli, Michael S. Christodoulou, Daniele Cartelli, Marcus Main, Stephen Faulkner, Daniel Sykes, Graziella Cappelletti*, John S. Snaith*, Daniele Passarella*

A chip off the old block: Thiocolchicine, taxol and cephalomannine have been used as building blocks for the preparation of four different fluorescent compounds designed to image the tubulin/microtubule network in cells (see figure). Thiocolchicine gave the best results and the compound derived from conjugation with fluorescein minimally inhibits tubulin polymerization, is cell permeable and binds microtubules.

ChemPlusChem 2013, 78, 222–226, doi: 10.1002/cplu.201200260 [Full Paper]




Highly Disordered Carbon as a Superior Anode Material for Room‐Temperature Sodium‐Ion Batteries

Highly Disordered Carbon as a Superior Anode Material for Room‐Temperature Sodium‐Ion Batteries

Xiaosi Zhou, Yu‐Guo Guo*

Organized chaos: A highly disordered carbon composite is synthesized through self‐assembly and subsequent pyrolysis. When evaluated as an anode material for room‐temperature sodium‐ion batteries, the as‐obtained carbon delivers superior electrochemical characteristics in terms of reversible capacity, cycling performance, and rate capability.

ChemElectroChem 2014, 1, 83–86, doi: 10.1002/celc.201300071 [Communication]




Templating Using Self‐Aligned TiO2 Nanotube Stumps: Highly Ordered Metal and Polymer Bumped Arrays

Templating Using Self‐Aligned TiO2 Nanotube Stumps: Highly Ordered Metal and Polymer Bumped Arrays

JeongEun Yoo, Kiyoung Lee, Patrik Schmuki*

Moth‐eye structures: Highly self‐ordered TiO2 nanotube stump (TiNTS) layers anodically grown in a HF/H3PO4 electrolyte are presented. The resulting low‐aspect‐ratio tubes can easily be conformally filled by vacuum‐sputter deposition or by melt‐casting. Removing the TiO2 nanotube template results in highly ordered “bumped” metal arrays that are promising for applications, such as for “moth‐eye” anti‐reflection layers.

ChemElectroChem 2014, 1, 64–66, doi: 10.1002/celc.201300133 [Communication]




Scanning Photoelectron Microscopy Study of the Pt/Phosphoric‐Acid‐Imbibed Membrane Interface under Polarization

Scanning Photoelectron Microscopy Study of the Pt/Phosphoric‐Acid‐Imbibed Membrane Interface under Polarization

Won H. Doh, Luca Gregoratti, Matteo Amati, Spyridon Zafeiratos, Yeuk T. Law, Stylianos G. Neophytides, Alin Orfanidi, Maya Kiskinova, Elena R. Savinova*

Current affairs: A model membrane‐electrode assembly of a high‐temperature polymer‐exchange membrane fuel cell based on a phosphoric‐acid‐imbibed membrane is studied under polarization by using scanning photoelectron microscopy and spectroscopy, which reveals the Pt‐catalyzed reduction of phosphoric acid to phosphorous acid and elemental phosphorus (see picture).

ChemElectroChem 2014, 1, 180–186, doi: 10.1002/celc.201300134 [Article]

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