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Journal of Computational Chemistry

Solvation Free Energy Calculations: The Combination between the Implicitly Polarized Fixed‐charge Model and the Reference Potential Strategy

Published: 21 August 2019

Author(s): Xiangyu Jia

The IPolQ‐Mod charges, which are the average of two charge sets fitted in vacuum state and condensed phase, take account of polarization effect implicitly in the solvation free energy calculation. However, the performance of the IPolQ‐Mod charges sensitively depends on the QM levels used to generate the electrostatic potential from which the charges are fitted. In addition, the forces on atoms are not accurate theoretically in the molecular dynamics (MD) simulation as the solvent only feels...

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Journal of Food Safety

Rapid and sensitive detection of Staphylococcus aureus in processed foods using a field‐deployed device to perform an insulated isothermal polymerase chain reaction‐based assay

Published: 21 August 2019

Author(s): Hsin‐Yi Yin, Yu‐Yi Lin, Chi‐Huei Lin, Wen‐Che Tsai, Hsiao‐Wei Wen

Abstract This investigation we evaluated the feasibility of using the insulated isothermal polymerase chain reaction (iiPCR) reagent in a POCKIT system to detect Staphylococcus aureus in foods by comparing its results with those obtained using quantitative PCR (qPCR). The iiPCR/POCKIT system could specifically detect S. aureus and Staphylococcus spp. and differentiate them from 10 other foodborne pathogens. In a sensitivity analysis, the iiPCR/POCKIT system had a 100% (3/3) hit rate in...

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Comprehensive Reviews in Food Science and Food Safety

Brazilian Artisanal Cheeses: An Overview of their Characteristics, Main Types and Regulatory Aspects

Published: 21 August 2019

Author(s): Anderson S. Sant'Ana, Adriano G. Cruz, Beatriz O. Pelegrino, Verônica O. Alvarenga, Tatiana C. Pimentel, Fernanda B. Campagnollo, Winnie A. Luciano, Marciane Magnani, Bruna A. Kamimura

Abstract A large variety of cheeses exist in Brazil, reflecting historical and cultural aspects. Brazilian artisanal cheeses present differences in the processing, ripening time (when applied), type of milk used, texture, size, shape, color, moisture content, flavor, the use or not of starter cultures, among others. This review describes the main artisanal cheeses produced in Brazil, focusing on general and particular characteristics associated with their making process and geographical...

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Comprehensive Reviews in Food Science and Food Safety

Ingredient Functionality During Foam‐Type Cake Making: A Review

Published: 21 August 2019

Author(s): Thibault Godefroidt, Nand Ooms, Bram Pareyt, Kristof Brijs, Jan A. Delcour

Abstract Foam‐type cakes are complex food systems. Their main ingredients are wheat flour, hen eggs, sugar, leavening agent, and, in some cases, oil and/or surfactants. In contrast to the vast amount of research outcomes on the contribution of ingredients to the quality of batter‐type cake systems, information on the functionality and importance of the ingredients and their constituents in foam‐type cake systems is lacking. This review defines foam‐type cakes, describes how they are made,...

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Comprehensive Reviews in Food Science and Food Safety

A Comprehensive Review on Food Applications of Terahertz Spectroscopy and Imaging

Published: 21 August 2019

Author(s): Leili Afsah‐Hejri, Parvaneh Hajeb, Parsa Ara, Reza J. Ehsani

Abstract Food product safety is a public health concern. Most of the food safety analytical and detection methods are expensive, labor intensive, and time consuming. A safe, rapid, reliable, and nondestructive detection method is needed to assure consumers that food products are safe to consume. Terahertz (THz) radiation, which has properties of both microwave and infrared, can penetrate and interact with many commonly used materials. Owing to the technological developments in sources and...

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Phytochemical Analysis

In silico and in vitro degradation studies of isolated phloroglucinols eugenial C and eugenial D from Eugenia umbelliflora fruits

Published: 21 August 2019

Author(s): Tania Mari Bellé Bresolin, Christiane Meyre‐Silva, Angela Malheiros, Louis P. Sandjo, Favero Reisdorfer Paula, Carmem Lúcia Santos Machado, Milena Guimarães Santos, Clarissa Krieger Amorin, Ingrid V. Farias

Two phloroglucinols were isolated from Eugenia umbelliflora, eugenial C and engenial D, which demonstrated antimicrobial activity. Both phloroglucinols, showed be very unstable under hydrolysis and oxidation conditions, being eugenial D more susceptible than eugenial C. The eugenial C also showed to be thermosensivite, but photostable. In silico studies indicated the regions of greater susceptibility to nucleophilic, electrophilic attack and the sites to suffer auto‐oxidation. The results...

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Macromolecular Materials and Engineering

Biofabrication of Gelatin Tissue Scaffolds with Uniform Pore Size via Microbubble Assembly

Published: 21 August 2019

Author(s): Cem Bayram, Xinyue Jiang, Merve Gultekinoglu, Sukru Ozturk, Kezban Ulubayram, Mohan Edirisinghe

Abstract The control of pore size and uniform porosity remains as an important challenge in gelatin scaffolds. The precise control in building blocks of tissue scaffolds without any additional porogen is possible with costly equipment and techniques, though some pre‐requirements for polymeric material, such as photo‐polymerizability or sintering ability, may be needed prior to construction. Herein, a method for the fabrication of gelatin scaffolds with homogenous porosity using simple...

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Macromolecular Materials and Engineering

Chitosan‐g‐Polyester Microspheres: Effect of Length and Composition of Grafted Chains

Published: 21 August 2019

Author(s): Tatiana S. Demina, Chantal Sevrin, Carmen Kapchiekue, Tatiana A. Akopova, Christian Grandfils

Abstract Hydrophobic segments made of oligo(l,l‐ or d,l‐lactides) or poly(l,l‐lactide) are grafted onto chitosan backbone in order to use their amphiphilic behavior to prepare degradable microcarriers intended to be used for tissue engineering. Hydrophilic–lipophilic balance of these copolymers is adjusted playing on the respective length of their hydrophilic and hydrophobic moieties. Thanks to their self‐emulsifying properties, these graft copolymers are processed into microspheres in the...

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Energy Technology

Nano Ag‐Decorated MoS2 Nanosheets from 1T to 2H Phase Conversion for Photocatalytically Reducing CO2 to Methanol

Published: 21 August 2019

Author(s): Ming Zhang, Yongli Shen, Yuan Tang, Junsong Bai, Yue Jiang, Xiaohong Yin, Yinan Zheng

Exfoliated MoS2 with a 2H phase has unique semiconductor properties and is used for the photocatalytic reduction of CO2 herein. Flower‐like MoS2 nanosheets are synthesized by the hydrothermal method and are used to fabricate an enlarged lamellar structure with a 1T phase of MoS2 in the presence of lithium ions under sonication; the 1T‐to‐2H phase conversion of MoS2 is successfully realized in o‐dichlorobenzene solution. To improve the photocatalytic performance, Ag nanoparticles are combined...

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Protein Science

Corrigendum to “Sequential unfolding of the hemolysin two‐partner secretion domain from Proteus mirabilis”

Published: 21 August 2019

Author(s): Megan R. Wimmer, Christopher N. Woods, Kyle J. Adamczak, Evan M. Glasgow, Walter R.P. Novak, Daniel P. Grilley, Todd M. Weaver

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

February 2019

 


Pingyu Zhang, Huaiyi Huang, Samya Banerjee, Guy J. Clarkson, Chen Ge, Cinzia Imberti, Peter J. Sadler
Nucleus-Targeted Organoiridium-Albumin Conjugate for Photodynamic Cancer Therapy [Communication]
Angew. Chem. Int. Ed. 2019, vol. 58, p. 2350

Marion Rusch, Arnaud Thevenon, Dominic Hoepfner, Thomas Aust, Christian Studer, Maude Patoor, Patrick Rollin, Madeleine Livendahl, Beatrice Ranieri, Esther Schmitt, Carsten Spanka, Karl Gademann, Laure C. Bouchez
Design and Synthesis of Metabolically Stable tRNA Synthetase Inhibitors Derived from Cladosporin [Communication]
ChemBioChem 2019, vol. 20, p. 644

Wei Jin, Laura Pastor-Pérez, DeKui Shen, Antonio Sepúlveda-Escribano, Sai Gu, Tomas Ramirez Reina
Catalytic Upgrading of Biomass Model Compounds: Novel Approaches and Lessons Learnt from Traditional Hydrodeoxygenation - a Review [Review]
ChemCatChem 2019, vol. 11, p. 924

Dieter Wöhrle
Kunststoffe [Artikel]
Chem. Unserer Zeit 2019, vol. 53, p. 50

Thomas Wirth
Meet the Board of ChemistryOpen: Thomas Wirth [Meet the Board]
ChemistryOpen 2019, vol. 8, p. 251

Lei Han, Meng-Ke Wu, Fei-Yan Yi, Dongxiao Chen, Hai-Long Jiang
Chemical Sensors Based on Metal-Organic Frameworks [Review]
ChemPlusChem 2016, vol. 81, p. 675

Miaofang Chi, Harry M. Meyer, Zili Wu, Liangbo Liang, Peter V. Bonnesen, Dale K. Hensley, Rui Peng, Yang Song, Cheng Ma, Bobby G. Sumpter, Adam J. Rondinone
High-Selectivity Electrochemical Conversion of CO2 to Ethanol using a Copper Nanoparticle/N-Doped Graphene Electrode [Full Paper]
ChemistrySelect 2016, vol. 1, p. 6055

Hubert Rauscher, Kirsten Rasmussen, Birgit Sokull-Klüttgen
Regulatory Aspects of Nanomaterials in the EU [Research Article]
Chem. Ing. Tech. 2017, vol. 89, p. 224

Abas Mohsenzadeh, Akram Zamani, Mohammad J. Taherzadeh
Bioethylene Production from Ethanol: A Review and Techno-economical Evaluation [Review]
ChemBioEng Rev. 2017, vol. 4, p. 75

Mao Jiang, Kangli Wang, Shu Gao, Ruxing Wang, Jing Han, Jie Yan, Shijie Cheng, Kai Jiang
Selenium as Extra Binding Site for Sulfur Species in Sulfurized Polyacrylonitrile Cathodes for High Capacity Lithium-Sulfur Batteries [Article]
CHEMELECTROCHEM 2019, vol. 6, p. 1365

Tianchao Niu, Jialin Zhang, Wei Chen
Surface Engineering of Two-Dimensional Materials [Focus Review]
ChemNanoMat 2019, vol. 5, p. 6

Dennis Rottschäfer, Beate Neumann, Hans-Georg Stammler, Ryohei Kishi, Masayoshi Nakano, Rajendra S. Ghadwal
A Phosphorus Analogue of p-Quinodimethane with a Planar P4 Ring: A Metal-Free Diphosphorus Source [Communication]
Chem. Eur. J. 2019, vol. 25, p. 3244

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, p. 2696

Arun K. Sinha, Danish Equbal
Thiol−Ene Reaction: Synthetic Aspects and Mechanistic Studies of an Anti-Markovnikov-Selective Hydrothiolation of Olefins [Focus Review]
Asian J. Org. Chem. 2019, vol. 8, p. 32

Hartmut Beck, Mario Jeske, Kai Thede, Friederike Stoll, Ingo Flamme, Metin Akbaba, Jens-Kerim Ergüden, Gunter Karig, Jörg Keldenich, Felix Oehme, Hans-Christian Militzer, Ingo V. Hartung, Uwe Thuss
Discovery of Molidustat (BAY 85-3934): A Small-Molecule Oral HIF-Prolyl Hydroxylase (HIF-PH) Inhibitor for the Treatment of Renal Anemia [Full Paper]
ChemMedChem 2018, vol. 13, p. 988

Gloria Tabacchi
Supramolecular Organization in Confined Nanospaces [Review]
ChemPhysChem 2018, vol. 19, p. 1249

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, p. 386

An-Na Cho, Nam-Gyu Park
Impact of Interfacial Layers in Perovskite Solar Cells [Review]
ChemSusChem 2017, vol. 10, p. 3687

Didier Astruc
Why is Ferrocene so Exceptional? [Microreview]
Eur. J. Inorg. Chem. 2017, p. 6

Mabuatsela V. Maphoru, Josef Heveling, Sreejarani Kesavan Pillai
Solvent and Temperature Effects on the Platinum‐Catalyzed Oxidative Coupling of 1‐Naphthols [Full Paper]
Eur. J. Org. Chem. 2016, p. 331

Cover Picture Lebensmittelchemie 1/2019 [Cover Picture]
Lebensmittelchemie 2019, vol. 73

Elementerätsel 1 [Wissenschaft + Forschung]
Nachr. Chem. 2019, vol. 67, p. 37

Schüleraufgabe: CHEMKON 2/2017 [Schüleraufgabe]
CHEMKON 2017, vol. 24, p. 91

Zheng Ma, Douglas R. MacFarlane, Mega Kar
Mg Cathode Materials and Electrolytes for Rechargeable Mg Batteries: A Review [Minireview]
Batteries & Supercaps 2019, vol. 2, p. 115

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

Most cited articles from each ChemPubSoc Europe, ACES, and GDCh journal


2017

 


Eric J. Popczun, Carlos G. Read, Christopher W. Roske, Nathan S. Lewis, Raymond E. Schaak
Highly Active Electrocatalysis of the Hydrogen Evolution Reaction by Cobalt Phosphide Nanoparticles
Angew. Chem. Int. Ed. 2014, vol. 53, pp. 5427–5430

Philippe Compain, Anne Bodlenner
The Multivalent Effect in Glycosidase Inhibition: A New, Rapidly Emerging Topic in Glycoscience [Minireview]
ChemBioChem 2014, vol. 15, pp. 1239–1251

Zhi-Yuan Gu, Jihye Park, Aaron Raiff, Zhangwen Wei, Hong-Cai Zhou
Metal–Organic Frameworks as Biomimetic Catalysts [Minireview]
ChemCatChem 2014, vol. 6, pp. 67–75

Anthony J. Arduengo, Roland Krafczyk
Auf der Suche nach Stabilen Carbenen [Organische Chemie]
Chem. Unserer Zeit 1998, vol. 32, pp. 6–14

Félix Sancenón, Lluís Pascual, Mar Oroval, Elena Aznar, Ramón Martínez-Máñez
Gated Silica Mesoporous Materials in Sensing Applications [Review]
ChemistryOpen 2015, vol. 4, pp. 418–437

Jun Pu, Tingting Wang, Haiyang Wang, Yao Tong, Chenchen Lu, Wei Kong, Zhenghua Wang
Direct Growth of NiCo2S4 Nanotube Arrays on Nickel Foam as High-Performance Binder-Free Electrodes for Supercapacitors [Full Paper]
ChemPlusChem 2014, vol. 79, pp. 577–583

Francisco Trespalacios, Ignacio E. Grossmann
Review of Mixed-Integer Nonlinear and Generalized Disjunctive Programming Methods [Review]
Chemie Ingenieur Technik 2014, vol. 86, pp. 991–1012

Xiaosi Zhou, Yu-Guo Guo
Highly Disordered Carbon as a Superior Anode Material for Room-Temperature Sodium-Ion Batteries [Communication]
ChemElectroChem 2014, vol. 1, pp. 83–86

Chuanxi Wang, Zhenzhu Xu, Chi Zhang
Polyethyleneimine-Functionalized Fluorescent Carbon Dots: Water Stability, pH Sensing, and Cellular Imaging [Full Paper]
ChemNanoMat 2015, vol. 1, pp. 122–127

Matthew N. Hopkinson, Basudev Sahoo, Jun-Long Li, Frank Glorius
Dual Catalysis Sees the Light: Combining Photoredox with Organo-, Acid, and Transition-Metal Catalysis [Minireview]
Chemistry – A European Journal 2014, vol. 20, pp. 3874–3886

Yinuo Wu, Jun Wang, Fei Mao, Fuk Yee Kwong
Palladium-Catalyzed Cross-Dehydrogenative Functionalization of C(sp2)–H Bonds [Focus Review]
Chemistry – An Asian Journal 2014, vol. 9, pp. 26–47

Derong Cao, Herbert Meier
Pillar[n]arenes—a Novel, Highly Promising Class of Macrocyclic Host Molecules [Focus Review]
Asian Journal of Organic Chemistry 2014, vol. 3, pp. 244–262

Daniel Gallenkamp, Kathy A. Gelato, Bernard Haendler, Hilmar Weinmann
Bromodomains and Their Pharmacological Inhibitors [Review]
ChemMedChem 2014, vol. 9, pp. 438–464

Antonio Bauzá, Tiddo J. Mooibroek, Antonio Frontera
The Bright Future of Unconventional σ/π-Hole Interactions [Review]
ChemPhysChem 2015, vol. 16, pp. 2496–2517

Ksenia S. Egorova, Valentine P. Ananikov
Toxicity of Ionic Liquids: Eco(cyto)activity as Complicated, but Unavoidable Parameter for Task-Specific Optimization [Review]
ChemSusChem 2014, vol. 7, pp. 336–360

Shunichi Fukuzumi, Dachao Hong
Homogeneous versus Heterogeneous Catalysts in Water Oxidation [Microreview]
Eur. J. Inorg. Chem. 2014, pp. 645–659

Fabien Toulgoat, Sébastien Alazet, Thierry Billard
Direct Trifluoromethylthiolation Reactions: The “Renaissance” of an Old Concept [Microreview]
Eur. J. Org. Chem. 2014, pp. 2415–2428

David Schweinfurth, Naina Deibel, Fritz Weisser, Biprajit Sarkar
Mit Klick zu neuen Liganden [Magazin]
Nachr. Chem. 2011, vol. 59, pp. 937–941

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