Browse Articles

  • Article | | open

    Molecular dynamics simulations complement experimental approaches to membrane dynamics but struggle to model diacylglycerols. Here a coarse-grained molecular dynamics model for diacylglycerols is described, which can quantitatively reproduce key experimental parameters and offers insight into the dynamics of these lipids.able

    • Pablo Campomanes
    • , Valeria Zoni
    •  & Stefano Vanni
  • Article | | open

    Selective oxidation of methane in zeolites is economical but the details of the responsible active sites are still unclear. Here the introduction of divalent transition metal cations into the zeolite matrix generates alpha-oxygen atoms which are active species for catalytic methane oxidation.

    • Edyta Tabor
    • , Mariia Lemishka
    • , Zdenek Sobalik
    • , Kinga Mlekodaj
    • , Prokopis C. Andrikopoulos
    • , Jiri Dedecek
    •  & Stepan Sklenak
  • Article | | open

    It is important to screen potentially polymorphic systems during pharmaceutical development. Here, the authors demonstrate computational crystal structure prediction analysis which is capable of identifying the late appearing low-solubility polymorph of rotigotine without prior information.

    • Majid Mortazavi
    • , Johannes Hoja
    • , Luc Aerts
    • , Luc Quéré
    • , Jacco van de Streek
    • , Marcus A. Neumann
    •  & Alexandre Tkatchenko
  • Article | | open

    Glucose is a promising feedstock for hydrogen production but the existing microbial reactors are expensive and suffer from low efficiencies. Here, the authors show an improved self-powered liquid catalyst fuel cell with a polymer-exchange membrane and polyoxometalate to catalyse glucose to hydrogen.

    • Yongfeng Li
    • , Wei Liu
    • , Zhe Zhang
    • , Xu Du
    • , Lin Yu
    •  & Yulin Deng
  • Article | | open

    Liquid organic hydrogen carriers such as N-heterocyclic compounds are interesting hydrogen vectors which could exploit existing infrastructure. Here, the authors report a mesoporous palladium-alumina catalyst system capable of dehydrogenating four different N-heterocycles with negligible activity loss over five runs.

    • Jinho Oh
    • , Hari Babu Bathula
    • , Ji Hoon Park
    •  & Young-Woong Suh
  • Article | | open

    Trifluoromethyl diazomethane is a versatile reagent with a variety of applications. Here its 1,3-dipolar cycloaddition across internal and terminal alkynes is shown to provide an efficient route to trifluoromethyl-substituted pyrazoles, including derivatives of marketed drugs, natural products, and bioactive heterocycles.

    • Shuaipeng Lv
    • , Hui Zhou
    • , Xin Yu
    • , Yue Xu
    • , Huijuan Zhu
    • , Min Wang
    • , Haitao Liu
    • , Ziru Dai
    • , Guibo Sun
    • , Xiaojie Gong
    • , Xiaobo Sun
    •  & Lei Wang
  • Article | | open

    Capacity fading and electrochemical polarization pose barriers to the commercial use of lithium-sulfur batteries. Here the authors show improved charge polarization and electrochemical performance in a surface oxidized quantum-dot-size titanium nitride embedded within a highly ordered mesoporous carbon matrix.

    • Xiaochun Gao
    • , Dong Zhou
    • , Yi Chen
    • , Wenjian Wu
    • , Dawei Su
    • , Baohua Li
    •  & Guoxiu Wang
  • Article | | open

    Bipyridine derivatives have been shown to control the self-assembly of amyloid-derived dipeptides. Here the authors show that 4,4'-bipyridine inhibits the formation of amyloid-like beta-sheet assembly by Fmoc-protected diphenylalanine, prompting a reorganisation to helical structure, and characterise the transition pathway.

    • Wei Ji
    • , Chengqian Yuan
    • , Priyadarshi Chakraborty
    • , Sharon Gilead
    • , Xuehai Yan
    •  & Ehud Gazit
  • Article | | open

    Designing systems to drive endergonic reactions using light as an energy source is a major challenge. Here a photoswitchable ligand is used to generate unstable cyclic tetravanadate species in solution.

    • Hanno Sell
    • , Anika Gehl
    • , Daniel Plaul
    • , Frank D. Sönnichsen
    • , Christian Schütt
    • , Felix Köhler
    • , Kim Steinborn
    •  & Rainer Herges
  • Article | | open

    The photomagnetic switching of metal-free liquid-crystalline materials can be important in material design but achieving reversibility is a challenge. Here the authors show phase transition directly from a chiral smectic phase to an isotropic liquid phase triggered by three different external stimuli.

    • Takuya Akita
    • , Yuki Sugiyama
    • , Taira Yamazaki
    • , Sho Nakagami
    • , Daichi Kiyohara
    • , Yoshiaki Uchida
    •  & Norikazu Nishiyama
  • Article | | open

    Photoluminescent quantum dots are an important technology but can exhibit undesirable intermittent quenching of the photoluminescence. Here, a combination of NMR techniques with XPS and simulations are used to describe the surface coverage of ligands on CdSe nanoparticles and to relate the blinking dynamics to the local dielectric environment.

    • Aidan A. E. Fisher
    • , Mark A. Osborne
    • , Iain J. Day
    •  & Guillermo Lucena Alcalde
  • Article | | open

    Functional multilayer coatings are typically obtained by layer-by-layer deposition of desired molecules. Here spin-coating a solution of chitosan-surfactant vesicles onto silica provides a one-step method to obtain stable multilayer surface coatings with tunable thickness.

    • Samantha Micciulla
    • , Dominic W. Hayward
    • , Yuri Gerelli
    • , Alain Panzarella
    • , Regine von Klitzing
    • , Michael Gradzielski
    •  & Leonardo Chiappisi
  • Article | | open

    Metal oxidation state in complex actinide oxides may have drastic effects on material properties. Here, the authors use a range of techniques to analyse U1−yAmyO2±x and find that while multiple cations are present the fluorite structure is maintained albeit with complex defects in the oxygen sublattice.

    • E. Epifano
    • , M. Naji
    • , D. Manara
    • , A. C. Scheinost
    • , C. Hennig
    • , J. Lechelle
    • , R. J. M. Konings
    • , C. Guéneau
    • , D. Prieur
    • , T. Vitova
    • , K. Dardenne
    • , J. Rothe
    •  & P. M. Martin
  • Article | | open

    The electrical conductivity of covalent organic frameworks may be limited by a low degree of π-conjugation or structural disorder. Here the authors produce uniform and highly conjugated COFs via a reversible dynamic imine condensation and demonstrate enhanced electrical conductivity in their product.

    • Soyoung Kim
    •  & Hee Cheul Choi
  • Review Article | | open

    The bottom-up synthesis of extended aromatic hydrocarbons can yield curved ‘nanographenes’ with striking properties. Here, the authors review the synthetic advances towards extended corannulenes since 2006, and highlight key challenges facing researchers in the field.

    • Ezzah M. Muzammil
    • , Dzeneta Halilovic
    •  & Mihaiela C. Stuparu
  • Article | | open

    Photoelectrochemical generation of hydrogen is of wide interest for promoting renewable energy. Here a BiVO4/WO3 photooanode is used to generate chlorine and hydrogen from acidic chloride media with Faradaic efficiency of up to 85% for chlorine and 100% for hydrogen over three hours of operation.

    • Alan M. Rassoolkhani
    • , Wei Cheng
    • , Joun Lee
    • , Austin McKee
    • , Jonathan Koonce
    • , Joel Coffel
    • , Abdulsattar H. Ghanim
    • , Gary A. Aurand
    • , Chung Soo Kim
    • , Woon Ik Park
    • , Hyunsung Jung
    •  & Syed Mubeen
  • Article | | open

    The hydration and ion pairing of metal-organic supramolecular cages plays a crucial role in their interaction with guests but is difficult to quantify with standard analysis. Here, the authors show that microwave microfluidics to measure the hydration and ion pairing of two tetrahedral metal-organic cages.

    • Angela C. Stelson
    • , Cynthia M. Hong
    • , Mitchell C. Groenenboom
    • , Charles A. E. Little
    • , James C. Booth
    • , Nathan D. Orloff
    • , Robert G. Bergman
    • , Kenneth N. Raymond
    • , Kathleen A. Schwarz
    • , F. Dean Toste
    •  & Christian J. Long
  • Article | | open

    The exfoliation of covalent organic frameworks is a potential route to interesting two-dimensional materials. Here, the authors report a strategy incorporating metal ions and axial ligands to facilitate exfoliation of porphyrin COFs, and examine the photocatalytic activity of the resulting nanomaterials.

    • Zeyu Fan
    • , Kota Nomura
    • , Mingshan Zhu
    • , Xinxi Li
    • , Jiawei Xue
    • , Tetsuro Majima
    •  & Yasuko Osakada
  • Article | | open

    Reactions of ozone with human skin oils impact indoor air quality by depleting ozone and forming semi-volatile organic compounds. Here, the authors examine the impact of clothing on indoor air composition and human exposure by integrating indoor chemistry modeling over a range of spatial and temporal scales.

    • Pascale S. J. Lakey
    • , Glenn C. Morrison
    • , Youngbo Won
    • , Krista M. Parry
    • , Michael von Domaros
    • , Douglas J. Tobias
    • , Donghyun Rim
    •  & Manabu Shiraiwa
  • Article | | open

    Catalytic oxygen reduction is an important process for clean energy production. Here the catalytic activity of trioxotriangulenes for the oxygen reduction reaction is shown to be correlated with their redox potential, offering a potential route to rationally tune their catalytic activity.

    • Tsuyoshi Murata
    • , Kenji Kotsuki
    • , Hirotaka Murayama
    • , Ryotaro Tsuji
    •  & Yasushi Morita
  • Article | | open

    Self-assembled glycopeptides are increasingly used as biomaterials. Here the self-assembly of glycosylated peptides under crowded conditions is shown to yield laterally aligned fibres which exhibit superior resistance towards non-specific binding of proteins and cells.

    • Antonietta Restuccia
    • , Dillon T. Seroski
    • , Karen L. Kelley
    • , Christopher S. O’Bryan
    • , Justin J. Kurian
    • , Kevin R. Knox
    • , Shaheen A. Farhadi
    • , Thomas E. Angelini
    •  & Gregory A. Hudalla
  • Article | | open

    Aqueous solutions of ionic liquids can undergo thermally-controlled phase separation, but the microscopic processes driving this are not fully understood. Here a combination of experimental methods and molecular dynamics simulations are used to probe the influence of local structure on the formation of micron-scale clustering.

    • Hyungmook Kang
    • , David E. Suich
    • , James F. Davies
    • , Aaron D. Wilson
    • , Jeffrey J. Urban
    •  & Robert Kostecki
  • Article | | open

    Zinc oxide exhibits a sub-band-gap green emission, the origin of which is widely debated. Here a combination of photophysical and conductivity analyses reveal that adsorbed superoxide may be responsible for the strong green emission of zinc oxide.

    • Jason A. Röhr
    • , Jacinto Sá
    •  & Steven J. Konezny
  • Article | | open

    Cerium–zirconium solids are key materials in heterogeneous catalysis but understanding oxygen storage and diffusion in bulk samples is a challenge. Here the authors use three-dimensional hard X-ray spectro-ptychography and unsupervised learning to achieve nanoscale chemical imaging of reaction events.

    • Makoto Hirose
    • , Nozomu Ishiguro
    • , Kei Shimomura
    • , Duong-Nguyen Nguyen
    • , Hirosuke Matsui
    • , Hieu Chi Dam
    • , Mizuki Tada
    •  & Yukio Takahashi
  • Article | | open

    The triple phase boundary structure in solid-oxide fuel cells largely determines the thermodynamics and kinetics of electrochemical processes therein. Here the authors use atomic-resolution microscopy and reaction dynamics simulation to reveal three discrete hydrogen oxidation reaction pathways.

    • Shu-Sheng Liu
    • , Leton C. Saha
    • , Albert Iskandarov
    • , Takayoshi Ishimoto
    • , Tomokazu Yamamoto
    • , Yoshitaka Umeno
    • , Syo Matsumura
    •  & Michihisa Koyama
  • Article | | open

    The reduction of CO2 by electro- and biocatalysis offers a promising route to the sustainable production of chemicals and fuels. Here, the integration of methanogenic or homoacetogenic microbes with earth-abundant electrodes allows robust, rapid, and selective CO2 reduction with coulombic efficiencies of up to 100%.

    • Frauke Kracke
    • , Andrew Barnabas Wong
    • , Karen Maegaard
    • , Joerg S. Deutzmann
    • , McKenzie A. Hubert
    • , Christopher Hahn
    • , Thomas F. Jaramillo
    •  & Alfred M. Spormann
  • Article | | open

    Mass transfer of guest molecules in nanoporous crystalline materials is dominated by surface barriers and intracrystalline diffusion. Here the authors derive an approximate expression of uptake rate relying solely on surface permeability, offering an approach to directly quantify both effects.

    • Mingbin Gao
    • , Hua Li
    • , Miao Yang
    • , Shushu Gao
    • , Pengfei Wu
    • , Peng Tian
    • , Shutao Xu
    • , Mao Ye
    •  & Zhongmin Liu
  • Article | | open

    Catalytic insertion of carbon dioxide into epoxides offers a useful route to cyclic carbonates. Here cobalt(III) ONO pincer complexes are shown to catalyze this reaction at ambient pressure with turnover numbers of up to 200,000.

    • Habib Ullah
    • , Bibimaryam Mousavi
    • , Hussein A. Younus
    • , Zafar A. K. Khattak
    • , Somboon Chaemchuen
    • , Suleman Suleman
    •  & Francis Verpoort
  • Article | | open

    Activation of C-H bonds through visible light irradiation remains a challenge in attaining energy efficient organic transformations. Here the authors show an osmium(VI) nitrido complex which can perform nitrogenation of cyclic alkanes and arenes by acting as a strong electrophile in the excited state.

    • Jing Xiang
    • , Xin-Xin Jin
    • , Qian-Qian Su
    • , Shun-Cheung Cheng
    • , Chi-Chiu Ko
    • , Wai-Lun Man
    • , Minying Xue
    • , Liangliang Wu
    • , Chi-Ming Che
    •  & Tai-Chu Lau
  • Article | | open

    The relationship between molecular motion and catalysis in enzymes is debated. Here, simulations of cyclophilin A and three catalytically-impaired mutants reveal a nanosecond-scale interconversion between active and inactive conformations, orders of magnitude faster than previously suggested.

    • Pattama Wapeesittipan
    • , Antonia S. J. S. Mey
    • , Malcolm D. Walkinshaw
    •  & Julien Michel
  • Article | | open

    Metal-organic frameworks are commonly proposed as potential sensors for explosive compounds but the precise sensing mechanism remains unclear. Here, the authors experimentally assess the fluorescence-quenching mechanisms of a hydroxyl-functionalized MOF, as it interacts with nitroaromatics.

    • Amitosh Sharma
    • , Dongwook Kim
    • , Jae-Heon Park
    • , Surajit Rakshit
    • , Junmo Seong
    • , Gyoung Hwa Jeong
    • , Oh-Hoon Kwon
    •  & Myoung Soo Lah
  • Article | | open

    The deactivation of zeolite catalyst by sulfur contaminants is a major problem in direct olefin upgrading of crude oil. Here the authors perform mechanistic analyses of zeolite ZSM-5 catalysts to reveal the detrimental effect of sulfur on silver and gallium Lewis acid sites in the catalyst.

    • Jonathan H. Harrhy
    • , Aiguo Wang
    • , Jack S. Jarvis
    • , Peng He
    • , Shijun Meng
    • , Matthew Yung
    • , Lijia Liu
    •  & Hua Song
  • Article | | open

    Polyphenols are widely studied as potential drugs for Alzheimer’s disease, but their development is limited by poor bioavailability. Here polyphenolic analogues of the Alzheimer's disease drug rivastigmine are shown to inhibit both cholinesterase and amyloid beta fibrillation in vitro and in vivo in a C. elegans model, providing a potentially general route for the development of polyphenol-based drugs.

    • Satish N. Dighe
    • , Eugenio De la Mora
    • , Stephen Chan
    • , Srinivas Kantham
    • , Gawain McColl
    • , Jared A. Miles
    • , Suresh Kumar Veliyath
    • , B. Yogi Sreenivas
    • , Zeyad D. Nassar
    • , Israel Silman
    • , Joel L. Sussman
    • , Martin Weik
    • , Ross P. McGeary
    • , Marie-Odile Parat
    • , Xavier Brazzolotto
    •  & Benjamin P. Ross
  • Article | | open

    The low toxicity of indium phosphide quantum dots makes them attractive candidates for biomedical applications but they typically exhibit low low photoluminescent quantum yield in aqueous media. Here the authors report a controlled-cooling based synthetic method which produces super bright quantum dots.

    • Mitchell T. Clarke
    • , Francesco Narda Viscomi
    • , Thomas W. Chamberlain
    • , Nicole Hondow
    • , Ali M. Adawi
    • , Justin Sturge
    • , Steven C. Erwin
    • , Jean-Sebastien G. Bouillard
    • , Sudarsan Tamang
    •  & Graeme J. Stasiuk
  • Article | | open

    The synthesis of tri- and tetra-aryl alkenes is limited by poor regio- and stereoselectivity. Here MIDA boronate-substituted aryl alkynes are used to achieve regioselective three-component diarylation of the alkyne and to provide a cross-coupling handle for subsequent elaboration to tri- or tetra-substituted products.

    • E. Emily Lin
    • , Jia-Qiang Wu
    • , Felix Schäfers
    • , Xiao-Xuan Su
    • , Ke-Feng Wang
    • , Ji-Lin Li
    • , Yunyun Chen
    • , Xin Zhao
    • , Huihui Ti
    • , Qingjiang Li
    • , Tian-Miao Ou
    • , Frank Glorius
    •  & Honggen Wang
  • Article | | open

    There is a continuous demand to develop new procedures for the synthesis of pristine graphene for device applications. Here the authors report gold catalyzed in situ formation of graphene from hydrocarbon contaminants in a transmission electron microscope within a few milliseconds at room temperature.

    • Ignacio G. Gonzalez-Martinez
    • , Alicja Bachmatiuk
    • , Thomas Gemming
    • , Barbara Trzebicka
    • , Zhongfan Liu
    •  & Mark H. Rummeli
  • Q&A | | open

    The importance of collaboration and good working relationships is unquestionable in chemistry, and is vital for the effective publication of research articles. In this series of Q&A’s we talk to people involved in all aspects of the process and explore the relationships between them. Here we discuss the mentor-mentee relationship with Professor Gisbert Schneider and Dr Francesca Grisoni (both ETH Zurich).

  • Editorial | | open

    This month Communications Chemistry celebrates its first anniversary of publishing research, reviews and commentary in all areas of the chemical sciences. Here we look back at the past 12 months of the journal and think about the many things still to achieve.

  • Q&A | | open

    The importance of collaboration and good working relationships is unquestionable in our field, and is vital for the effective publication of research articles. In this series of Q&A’s we talk to people involved in all aspects of the process and explore the relationships between them. Here we discuss interactions between authors and reviewers with Professor Jennifer Andexer (University of Freiburg) and Professor Wolfgang Kroutil (University of Graz).

  • Article | | open

    The direct glycosylation of ribose by nucleobases offers an intuitive route to nucleosides, but is known to be challenging under prebiotically plausible reaction conditions. Here, the addition of amino acids is shown to influence the product distribution, and a dynamic exchange of nucleobases between nucleosides and nucleotides is observed.

    • Irene Suárez-Marina
    • , Yousef M. Abul-Haija
    • , Rebecca Turk-MacLeod
    • , Piotr S. Gromski
    • , Geoffrey J. T. Cooper
    • , Andrea Olivé Olivé
    • , Stephanie Colón-Santos
    •  & Leroy Cronin
  • Article | | open

    It is important to identify heterogeneous catalyst compositions which minimize use of precious metals. Here the authors analyse the size-activity behaviour of platinum-based formaldehyde oxidation catalysts, identifying a volcano relationship with nanometer scale nanoclusters being the most effective.

    • Xiucheng Sun
    • , Jian Lin
    • , Yang Chen
    • , Yuehan Wang
    • , Lin Li
    • , Shu Miao
    • , Xiaoli Pan
    •  & Xiaodong Wang
  • Article | | open

    Mechanically interlocked molecules are widely studied, but the pathways by which they assemble are less well understood. Here the formation process of a quadruply-locked Pd4L8 cage is studied by NMR and mass spectrometry, with intermediates inferred by kinetic analysis.

    • Tomoki Tateishi
    • , Yuichi Yasutake
    • , Tatsuo Kojima
    • , Satoshi Takahashi
    •  & Shuichi Hiraoka
  • Article | | open

    Fluorinated solvents such as hexafluoroisopropanol (HFIP) are often useful in reactions involving radical cations. Here the role of HFIP in photoredox and electrochemical Diels-Alder reactions is explored experimentally and theoretically, and attributed to solvation of anions to reduce their nucleophilicity.

    • Naoki Shida
    • , Yasushi Imada
    • , Shingo Nagahara
    • , Yohei Okada
    •  & Kazuhiro Chiba
  • Article | | open

    The Strecker reaction is thought to offer a prebiotically plausible synthesis of amino acids, but is reversible at the high or low pH ranges needed to promote reactivity. Here the reaction of hydrogen cyanide and diamidophosphate is shown to provide stable phosphorylated amino acid precursors at neutral pH, which can be hydrolysed to amino acids or thiolysed to thioamides.

    • Kathryn Ashe
    • , Christian Fernández-García
    • , Merina K. Corpinot
    • , Adam J. Coggins
    • , Dejan-Krešimir Bučar
    •  & Matthew W. Powner