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Enzymatic Synthesis of Poly(caprolactone): A QM/MM Study

Published: 04 August 2020

Author(s): Pedro R. Figueiredo, Beatriz C. Almeida, Daniel F. A. R. Dourado, Andreia F. Sousa, Armando J. D. Silvestre, Alexandra T. P. Carvalho

Abstract Our reliance on synthetic polymers (plastics) is causing immeasurable damage to the environment. Better alternatives are actively being sought‐after, such as biodegradable polyesters obtained by enzymatic synthesis. Here we compare in detail the catalytic mechanisms for poly(caprolactone) synthesis by the enzymes Archaeoglobus fulgidus carboxylesterase (AfEST) and Candida antarctica lipase B (CalB) using Quantum Mechanics/Molecular Mechanics Molecular Dynamics simulations. In the...

thumbnail image: ChemCatChem


Conservation of ultrafast photoprotective mechanisms with increasing molecular complexity in sinapoyl malate derivatives

Published: 04 August 2020

Author(s): Lewis A. Baker, Michael Staniforth, Amandine L. Flourat, Florent Allais, Vasilios G. Stavros

Abstract Sinapoyl malate is a natural plant sunscreen molecule which protects leaves from harmful ultraviolet radiation. Here, the ultrafast dynamics of three sinapoyl malate derivatives, sinapoyl L‐dimethyl malate, sinapoyl L‐diethyl malate and sinapoyl L‐di‐t‐butyl malate, have been studied using transient electronic absorption spectroscopy, in a dioxane and methanol solvent environment to investigate how well preserved these dynamics remain with increasing molecular complexity. In all cases...

thumbnail image: ChemPhysChem


Cancer Cell Metabolites: Updates on Current Tracing Methods

Published: 04 August 2020

Author(s): Subashani Maniam, Sandra Maniam

Abstract Cancer is the second leading cause of death‐1 in 6 deaths globally is due to cancer. Cancer metabolism is a complex and one of the most actively researched area in cancer biology. Metabolic reprogramming in cancer cells entails activities that involve several enzymes and metabolites to convert nutrient into building blocks that alter energy metabolism to fuel rapid cell division. Metabolic dependencies in cancer generate signature metabolites that have key regulatory roles in...

thumbnail image: ChemBioChem


Predicting the Substrate Scope of the Flavin‐Dependent Halogenase BrvH

Published: 04 August 2020

Author(s): Pia R. Neubauer, Silke Pienkny, Ludger Wessjohann, Wolfgang Brandt, Norbert Sewald

Abstract The recently described flavin‐dependent halogenase BrvH is able to catalyse both the bromination and chlorination of indole, but shows significantly higher bromination activity. BrvH was annotated as a tryptophan halogenase, but does not accept tryptophan as a substrate. Its native substrate remains unknown. A predictive model with the data available for BrvH was analysed. A training set of compounds tested in vitro was docked into the active site of a complete protein model based on...

thumbnail image: ChemBioChem


Catalytic Promiscuity of cGAS: A Facile Enzymatic Synthesis of 2′‐3′‐Linked Cyclic Dinucleotides

Published: 04 August 2020

Author(s): Katrin Rosenthal, Martin Becker, Jascha Rolf, Regine Siedentop, Michael Hillen, Markus Nett, Stephan Lütz

Abstract Cyclic GMP‐AMP synthase (cGAS) is a cytosolic DNA sensor that catalyzes the synthesis of the cyclic GMP‐AMP dinucleotide 2′3′‐cGAMP. 2′3′‐cGAMP functions as inducer for the production of type I interferons. Derivatives of this important second messenger are highly valuable for pharmaceutical applications. However, the production of these analogues requires complex, multistep syntheses. Herein, human cGAS is shown to react with a series of unnatural nucleotides, thus leading to novel...

thumbnail image: ChemBioChem


Environmental Performance of Pseudomonas putida with a Uracylated Genome

Published: 04 August 2020

Author(s): Elena Algar, Yamal Al‐Ramahi, Víctor Lorenzo, Esteban Martínez‐García

Abstract A variant of the soil bacterium Pseudomonas putida with a genome containing a ∼20 % replacement of the whole of thymine (T) by uracil (U) was made by deleting genes ung (uracil DNA glycosylase) and dut (deoxyuridine 5′‐triphosphate nucleotide hydrolase). Proteomic comparisons revealed that, of 281 up‐regulated and 96 down‐regulated proteins in the Δung Δdut cells, as compared to the wild‐type, many were involved in nucleotide metabolism. Unexpectedly, genome uracylation did not...

thumbnail image: ChemBioChem

Chemistry - A European Journal

Activity‐Directed Synthesis of Inhibitors of the p53/hDM2 Protein–Protein Interaction

Published: 04 August 2020

Author(s): Adam I. Green, Fruzsina Hobor, Christopher P. Tinworth, Stuart Warriner, Andrew J. Wilson, Adam Nelson

Abstract Protein–protein interactions (PPIs) provide a rich source of potential targets for drug discovery and biomedical science research. However, the identification of structural‐diverse starting points for discovery of PPI inhibitors remains a significant challenge. Activity‐directed synthesis (ADS), a function‐driven discovery approach, was harnessed in the discovery of the p53/hDM2 PPI. Over two rounds of ADS, 346 microscale reactions were performed, with prioritisation on the basis of...

thumbnail image: Chemistry - A European Journal

Chemistry - A European Journal

Innovative Syntheses of Cyano(fluoro)borates: Catalytic Cyanation, Electrochemical and Electrophilic Fluorination

Published: 04 August 2020

Author(s): Michael Drisch, Lisa A. Bischoff, Jan A. P. Sprenger, Philipp T. Hennig, Raphael Wirthensohn, Johannes Landmann, Szymon Z. Konieczka, Michael Hailmann, Nikolai V. Ignat'ev, Maik Finze

Abstract Different types of high‐yield, easily scalable syntheses for cyano(fluoro)borates Kt[BFn(CN)4−n] (n=0–2) (Kt=cation), which are versatile building blocks for materials applications and chemical synthesis, have been developed. Tetrafluoroborates react with trimethylsilyl cyanide in the presence of metal‐free Brønsted or Lewis acid catalysts under unprecedentedly mild conditions to give tricyanofluoroborates or tetracyanoborates. Analogously, pentafluoroethyltrifluoroborates are...

thumbnail image: Chemistry - A European Journal

Chemistry - A European Journal

Enantioselective 1,3‐Dipolar [6+4] Cycloaddition of Pyrylium Ions and Fulvenes towards Cyclooctanoids

Published: 04 August 2020

Author(s): David McLeod, Alessio Cherubini‐Celli, Nisanhi Sivasothirajah, Christina H. McCulley, Mette Louise Christensen, Karl Anker Jørgensen

Abstract Organocatalytic enantioselective 1,3‐dipolar [6+4] cycloadditions of pyrylium ion intermediates with fulvenes promoted by a chiral primary amine catalyst have been developed to proceed in moderate to good yields and high enantioselectivities. The resultant chiral bicyclo[6.3.0]undecane scaffold containing a transannular bridging ether is densely functionalised providing a rigid scaffold for further manipulations. Computational studies give important insights into the role of the...

thumbnail image: Chemistry - A European Journal

Chemistry - A European Journal

Regio‐ and Diastereoselective Dimerization of Diazo Carbonyls: A Cooperative Catalytic Approach to Complex Scaffolds with Four Contiguous Stereocenters

Published: 04 August 2020

Author(s): Martin Petzold, Andre Günther, Peter G. Jones, Daniel B. Werz

Abstract Starting from readily available o‐diazoacyl‐substituted arene carboxylates, scaffolds with the 5,9‐epoxycyclohepta[b]pyran‐2(3H)‐one core were obtained by cooperative RhII, Lewis and Brønsted acid catalysis. Four new bonds, three functional groups (lactone, ketal, and alcohol) and four contiguous stereocenters are formed during this regio‐ and diastereoselective process in a single synthetic step. Intensive optimization and mechanistic studies, including the trapping, isolation, and...

thumbnail image: Chemistry - A European Journal

Most-accessed articles from each Chemistry Europe, ACES, and GDCh journal

June 2020


Meng Cheng, Ramasubramonian Deivanayagam, Reza Shahbazian-Yassar
3D Printing of Electrochemical Energy Storage Devices: A Review of Printing Techniques and Electrode/Electrolyte Architectures [Review]
Batteries & Supercaps 2020, vol. 3, no. 2, p. 130

Friso S. Aalbers, Marco W. Fraaije
Enzyme Fusions in Biocatalysis: Coupling Reactions by Pairing Enzymes [Minireview]
ChemBioChem 2019, vol. 20, no. 1, p. 20

Ulrich S. Schubert, Andreas Winter
Metal-Terpyridine Complexes in Catalytic Application - A Spotlight on the Last Decade [Review]
ChemCatChem 2020, vol. 12, no. 11, p. 2890

Gerhard Hilt
Basic Strategies and Types of Applications in Organic Electrochemistry [Concept]
ChemElectroChem 2020, vol. 7, no. 2, p. 395

Andreas Schaate, Pascal Roy, Adelheid Godt, Jann Lippke, Florian Waltz, Michael Wiebcke, Peter Behrens
Modulated Synthesis of Zr‐Based Metal–Organic Frameworks: From Nano to Single Crystals [Full Paper]
Chem. Eur. J. 2011, vol. 17, no. 24, p. 6643

Marya A. Gromova, Yurii V. Kharitonov, Irina Yu. Bagryanskaya, Elvira E. Shults
Efficient Synthesis of the N-(buta-2,3-dienyl)carboxamide of Isopimaric Acid and the Potential of This Compound towards Heterocyclic Derivatives of Diterpenoids [Full Paper]
ChemistryOpen 2018, vol. 7, no. 11, p. 890

Tran Thi Ai My, Huynh Thi Phuong Loan, Nguyen Thi Thanh Hai, Le Trung Hieu, Tran Thai Hoa, Bui Thi Phuong Thuy, Duong Tuan Quang, Nguyen Thanh Triet, Tran Thi Van Anh, Nguyen Thi Xuan Dieu, Nguyen Tien Trung, Nguyen Van Hue, Pham Van Tat, Vo Thanh Tung, Nguyen Thi Ai Nhung
Evaluation of the Inhibitory Activities of COVID-19 of Melaleuca cajuputi Oil Using Docking Simulation [Full Paper]
ChemistrySelect 2020, vol. 5, no. 21, p. 6312

Dana Shahabi, Mackenzie E. Chapman, Margherita Brindisi, Arun K. Ghosh, Andrew D. Mesecar
Drug Development and Medicinal Chemistry Efforts toward SARS-Coronavirus and Covid-19 Therapeutics [Review]
ChemMedChem 2020, vol. 15, no. 11, p. 907

Hiroki Tanaka, Yoshihisa Inoue, Tadashi Mori
Circularly Polarized Luminescence and Circular Dichroisms in Small Organic Molecules: Correlation between Excitation and Emission Dissymmetry Factors [Review]
ChemPhotoChem 2018, vol. 2, no. 5, p. 386

Thomas G. Mayerhöfer, Alicja Dabrowska, Andreas Schwaighofer, Bernhard Lendl, Jürgen Popp
Beyond Beer's Law: Why the Index of Refraction Depends (Almost) Linearly on Concentration [Communication]
ChemPhysChem 2020, vol. 21, no. 8, p. 707

Thomas Aro, Pedram Fatehi
Production and Application of Lignosulfonates and Sulfonated Lignin [Review]
ChemSusChem 2017, vol. 10, no. 9, p. 1861

Maria-Gabriela Alexandru, Diana Visinescu, Beatrice Braun-Cula, Francesc Lloret, Miguel Julve
Synthesis, Crystal Structure and Magnetic Properties of Three {CrIIIMnII} Heterodimetallic Complexes Based on Heteroleptic Cyanido-Bearing CrIII Building Blocks [Full Paper]
Eur. J. Inorg. Chem. 2018, p. 349

Anna Eisenhofer, Johnny Hioe, Ruth M. Gschwind, Burkhard König
Photocatalytic Phenol-Arene C-C and C-O Cross-Dehydrogenative Coupling [Full Paper]
Eur. J. Org. Chem. 2017, p. 2194

Daewoo Han, Andrew J. Steckl
Coaxial Electrospinning Formation of Complex Polymer Fibers and their Applications [Review]
ChemPlusChem 2019, vol. 84, no. 10, p. 1453

Catharina Goedecke
Why Does Iodine Turn Starch Blue?
ChemViews Magazine 2016

Shoji Kobayashi, Keisuke Shibukawa, Yuta Miyaguchi, Araki Masuyama
Grignard Reactions in Cyclopentyl Methyl Ether [Full Paper]
Asian J. Org. Chem. 2016, vol. 5, no. 5, p. 636

Sandip G. Agalave, Suleman R. Maujan, Vandana S. Pore
Click Chemistry: 1,2,3‐Triazoles as Pharmacophores [Focus Review]
Chem. Asian J. 2011, vol. 6, no. 10, p. 2696

Elena V. Ushakova, Sergei A. Cherevkov, Anastasiia V. Sokolova, Yanxiu Li, Ruslan R. Azizov, Mikhail A. Baranov, Dmitry A. Kurdyukov, Ekaterina Yu Stovpiaga, Valery G. Golubev, Andrey L. Rogach, Alexander V. Baranov
Stable Luminescent Composite Microspheres Based on Porous Silica with Embedded CsPbBr3 Perovskite Nanocrystals [Full Paper]
ChemNanoMat 2020, vol. 6, no. 7, p. 1080

Hartmuth C. Kolb, M. G. Finn, K. Barry Sharpless
Click Chemistry: Diverse Chemical Function from a Few Good Reactions [Review]
Angew. Chem. Int. Ed. 2001, vol. 40, no. 11, p. 2004

Abas Mohsenzadeh, Akram Zamani, Mohammad J. Taherzadeh
Bioethylene Production from Ethanol: A Review and Techno-economical Evaluation [Review]
ChemBioEng Rev. 2017, vol. 4, no. 2, p. 75

V. N. Danilevich, L. E. Petrovskaya, E. V. Grishin
A Highly Efficient Procedure for the Extraction of Soluble Proteins from Bacterial Cells with Mild Chaotropic Solutions [Research Article]
Chem. Eng. Technol. 2008, vol. 31, no. 6, p. 904

Uwe Hampel, Markus Schubert, Alexander Döß, Johanna Sohr, Vineet Vishwakarma, Jens-Uwe Repke, Sören J. Gerke, Hannes Leuner, Matthias Rädle, Viktoria Kapoustina, Lucas Schmitt, Marcus Grünewald, Jost H. Brinkmann, Dominik Plate, Eugeny Y. Kenig, Nicole Lutters, Lukas Bolenz, Felix Buckmann, Dominique Toye, Wolfgang Arlt, Thomas Linder, Rainer Hoffmann, Harald Klein, Sebastian Rehfeldt, Thomas Winkler, Hans-Jörg Bart, Dominic Wirz, Jonas Schulz, Stephan Scholl, Wolfgang Augustin, Katharina Jasch, Florian Schlüter, Natalie Schwerdtfeger, Stefan Jahnke, Andreas Jupke, Christoph Kabatnik, Andreas Siegfried Braeuer, Mirko D'Auria, Thomas Runowski, Maria Francisco Casal, Karsten Becker, Anna-Lena David, Andrzej Górak, Mirko Skiborowski, Kai Groß, Hina Qammar
Recent Advances in Experimental Techniques for Flow and Mass Transfer Analyses in Thermal Separation Systems [Review]
Chem. Ing. Tech. 2020, vol. 92, no. 7, p. 926

Henrik Petersen, Klaus Roth
To Tattoo or not to Tattoo [Artikel]
Chem. Unserer Zeit 2016, vol. 50, no. 1, p. 44

Johannes Huwer, Amitabh Banerji
Corona sei Dank?! - Digitalisierung im Chemieunterricht [Editorial]
CHEMKON 2020, vol. 27, no. 3, p. 105

Masthead: Lebensmittelchemie 3/2020 [Masthead]
Lebensmittelchemie 2020, vol. 74, no. 3

Hannsjörg Freund, Robert Güttel, Raimund Horn, Ulrike Krewer, Jörg Sauer
Technische Chemie [Wissenschaft + Forschung]
Nachr. Chem. 2020, vol. 68, no. 6, p. 46

Most cited articles from Chemistry Europe, ACES, and GDCh journals

Articles on this list are the most frequently cited ones among those published in 2017 or 2018 according to Web of Science. They have contributed the most to the journal's impact factor in 2019.


Yuanjun Chen, Shufang Ji, Yanggang Wang, Juncai Dong, Wenxing Chen, Zhi Li, Rongan Shen, Lirong Zheng, Zhongbin Zhuang, Dingsheng Wang, Yadong Li
Isolated Single Iron Atoms Anchored on N-Doped Porous Carbon as an Efficient Electrocatalyst for the Oxygen Reduction Reaction [Communication]
Angew. Chem. Int. Ed. 2017, vol. 56, pp. 6937–6941

Qian Sun, Kah Chun Lau, Dongsheng Geng, Xiangbo Meng
Atomic and Molecular Layer Deposition for Superior Lithium-Sulfur Batteries: Strategies, Performance, and Mechanisms [Review]
Batteries Supercaps 2018, vol. 1, pp. 41–68

Lik Hang Yuen, Raphael M. Franzini
Achievements, Challenges, and Opportunities in DNA-Encoded Library Research: An Academic Point of View [Minireview]
ChemBioChem 2017, vol. 18, pp. 829–836

Konstantinos C. Christoforidis, Paolo Fornasiero
Photocatalytic Hydrogen Production: A Rift into the Future Energy Supply [Review]
ChemCatChem 2017, vol. 9, pp. 1523–1544

Marwa Elkady, Hassan Shokry, Hesham Hamad
Microwave-Assisted Synthesis of Magnetic Hydroxyapatite for Removal of Heavy Metals from Groundwater [Research Article]
Chem. Eng. Technol. 2018, vol. 41, pp. 553–562

Massimo Baroncini, Lorenzo Casimiro, Christiaan de Vet, Jessica Groppi, Serena Silvi, Alberto Credi
Making and Operating Molecular Machines: A Multidisciplinary Challenge [Minireview]
ChemistryOpen 2018, vol. 7, pp. 169–179

Hanshen Xin, Xike Gao
Application of Azulene in Constructing Organic Optoelectronic Materials: New Tricks for an Old Dog [Minireview]
ChemPlusChem 2017, vol. 82, pp. 945–956

Hojat Veisi, Mozhgan Pirhayati, Ali Kakanejadifard, Pourya Mohammadi, Mohammad Reza Abdi, Javad Gholami, Saba Hemmati
In Situ Green Synthesis of Pd Nanoparticles on Tannic Acid-Modified Magnetite Nanoparticles as a Green Reductant and Stabilizer Agent: Its Application as a Recyclable Nanocatalyst (Fe3O4@TA/Pd) for Reduction of 4-Nitrophenol and Suzuki Reactions [Full Paper]
ChemistrySelect 2018, vol. 3, pp. 1820–1826

Jaqueline Daniel-Gromke, Nadja Rensberg, Velina Denysenko, Walter Stinner, Tina Schmalfuß, Mattes Scheftelowitz, Michael Nelles, Jan Liebetrau
Current Developments in Production and Utilization of Biogas and Biomethane in Germany [Review]
Chem. Ing. Tech. 2018, vol. 90, pp. 17–35

Sayantani Sikdar, Madhusree Kundu
A Review on Detection and Abatement of Heavy Metals [Review]
ChemBioEng Rev. 2018, vol. 5, pp. 18–29

Tingting Liu, Lisi Xie, Jianhui Yang, Rongmei Kong, Gu Du, Abdullah M. Asiri, Xuping Sun, Liang Chen
Self-Standing CoP Nanosheets Array: A Three-Dimensional Bifunctional Catalyst Electrode for Overall Water Splitting in both Neutral and Alkaline Media [Communication]
ChemElectroChem 2017, vol. 4, pp. 1840–1845

Ruibin Wang, Liheng Chen, J.Y. Zhu, Rendang Yang
Tailored and Integrated Production of Carboxylated Cellulose Nanocrystals (CNC) with Nanofibrils (CNF) through Maleic Acid Hydrolysis [Full Paper]
ChemNanoMat 2017, vol. 3, pp. 328–335

Chengwei Liu, Michal Szostak
Twisted Amides: From Obscurity to Broadly Useful Transition-Metal-Catalyzed Reactions by N−C Amide Bond Activation [Minireview]
Chem. Eur. J. 2017, vol. 23, pp. 7157–7173

Jian Shu, Dianping Tang
Current Advances in Quantum-Dots-Based Photoelectrochemical Immunoassays [Focus Review]
Chem. Asian J. 2017, vol. 12, pp. 2780–2789

Jian Rong, Chuanfa Ni, Jinbo Hu
Metal-Catalyzed Direct Difluoromethylation Reactions [Focus Review]
Asian J. Org. Chem. 2017, vol. 6, pp. 139–152

Juan Alberto Sirvent, Ulrich Lücking
Novel Pieces for the Emerging Picture of Sulfoximines in Drug Discovery: Synthesis and Evaluation of Sulfoximine Analogues of Marketed Drugs and Advanced Clinical Candidates [Full Paper]
ChemMedChem 2017, vol. 12, pp. 487–501

Grzegorz Greczynski, Lars Hultman
C 1s Peak of Adventitious Carbon Aligns to the Vacuum Level: Dire Consequences for Material's Bonding Assignment by Photoelectron Spectroscopy [Communication]
ChemPhysChem 2017, vol. 18, pp. 1507–1512

Jia-Rong Chen, Dong-Mei Yan, Qiang Wei, Wen-Jing Xiao
Photocascade Catalysis: A New Strategy for Cascade Reactions [Concept]
ChemPhotoChem 2017, vol. 1, pp. 148–158

Zhiming Pan, Yun Zheng, Fangsong Guo, Pingping Niu, Xinchen Wang
Decorating CoP and Pt Nanoparticles on Graphitic Carbon Nitride Nanosheets to Promote Overall Water Splitting by Conjugated Polymers [Communication]
ChemSusChem 2017, vol. 10, pp. 87–90

Enzo Alessio
Thirty Years of the Drug Candidate NAMI-A and the Myths in the Field of Ruthenium Anticancer Compounds: A Personal Perspective [Microreview]
Eur. J. Inorg. Chem. 2017, pp. 1549–1560

Marcel Garbe, Kathrin Junge, Matthias Beller
Homogeneous Catalysis by Manganese-Based Pincer Complexes [Microreview]
Eur. J. Org. Chem. 2017, pp. 4344–4362

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Magazine of Chemistry Europe (16 European Chemical Societies)published by Wiley-VCH