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AIChE Journal

A fundamental wax deposition model for water‐in‐oil dispersed flows in subsea pipelines

Published: 22 April 2017

Author(s): Sheng Zheng, H. Scott Fogler, Amir Haji‐Akbari

Water‐in‐oil dispersions frequently form in subsea oil pipeline transportation and their presence affects the wax deposition rate in subsea pipelines. A fundamental model for wax deposition on the wall of water‐in‐oil dispersed phase flow pipelines has not been developed. Dispersed water droplets can affect the heat and mass transfer characteristics of wax deposition and alter the deposit growth rate. In this study, wax deposition from...

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AIChE Journal

Perspective: Teaching professional skills

Published: 22 April 2017

Author(s): Phil Wankat

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AIChE Journal

Adaptive POD–DEIM basis construction and its application to a nonlinear population balance system

Published: 22 April 2017

Author(s): Lihong Feng, Michael Mangold, Peter Benner

We propose an adaptive algorithm for constructing reduced‐order models (ROMs) of nonlinear systems based on proper orthogonal decomposition (POD) combined with the discrete empirical interpolation method (DEIM). Using an efficient output error estimation, the reduced basis and the DEIM interpolation basis are adaptively adjusted to derive a small, yet accurate ROM. The adaptive algorithm is further explored for a population balance system...

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International Journal of Quantum Chemistry

A quartic force field coordinate substitution scheme using hyperbolic sine coordinates

Published: 22 April 2017

Author(s): Diego J. Alonso de Armiño, Carlos M. Bustamante

Abstract Quartic force fields (QFF) are currently the most cost‐effective method for the approximation of potential energy surfaces for the calculation of anharmonic vibrational energies. It is known, although, that its performance can be less than satisfactory due to limitations related to slow convergence of the series. In this article, we present a coordinate substitution scheme using a combination of Morse and sinh coordinates,...

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Journal of the American Ceramic Society

Dual layer SiC coating on matrix graphite sphere prepared by pack cementation and fluidized‐bed chemical vapor deposition

Published: 22 April 2017

Author(s): Ping Zhou, Zujie Zheng, Rongzheng Liu, Xiaoxue Liu, Malin Liu, Taowei Wang, Ziqiang Li, Youlin Shao, Hongsheng Zhao, Bing Liu

Abstract A dual layer silicon carbide (SiC) coating including inner porous SiC (p‐SiC) layer and outer dense SiC (d‐SiC) layer was fabricated on the matrix graphite (MG) spheres of high‐temperature gas‐cooled reactor fuel elements by pack cementation and fluidized‐bed chemical vapor deposition process to improve the oxidation‐resistant property. Microstructure of the coating demonstrates different density and structure of the two SiC layers...

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Journal of the American Ceramic Society

Thermodynamics of copper‐manganese and copper‐iron spinel solid solutions

Published: 22 April 2017

Author(s): Sulata K. Sahu, Alexandra Navrotsky

Abstract High‐temperature oxide melt solution calorimetry has been performed to investigate the energetics of spinel solid solutions in the Mn3O4‐CuMn2O4 and Fe3O4‐CuFe2O4 systems. The spinel solid solutions were synthesized by a ceramic route and calcined at appropriate temperatures to obtain single phase samples. The drop solution enthalpies of the solid solutions in the Mn3O4‐CuMn2O4 system are the same within experimental error as the...

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Proteins: Structure, Function, and Bioinformatics

Norovirus RNA‐dependent RNA polymerase: A computational study of metal‐binding preferences

Published: 22 April 2017

Author(s): Md Munan Shaik, Nicholus Bhattacharjee, Mikolaj Feliks, Kenneth K.‐S. Ng, Martin J. Field

ABSTRACT Norovirus (NV) RNA‐dependent RNA polymerase (RdRP) is essential for replicating the genome of the virus, which makes this enzyme a key target for the development of antiviral agents against NV gastroenteritis. In this work, a complex of NV RdRP bound to manganese ions and an RNA primer‐template duplex was investigated using X‐ray crystallography and hybrid quantum chemical/molecular mechanical simulations. Experimentally,...

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Proteins: Structure, Function, and Bioinformatics

Resolving protein structure‐function‐binding site relationships from a binding site similarity network perspective

Published: 22 April 2017

Author(s): Richa Mudgal, Narayanaswamy Srinivasan, Nagasuma Chandra

ABSTRACT Functional annotation is seldom straightforward with complexities arising due to functional divergence in protein families or functional convergence between non‐homologous protein families, leading to mis‐annotations. An enzyme may contain multiple domains and not all domains may be involved in a given function, adding to the complexity in function annotation. To address this, we use binding site information from bound...

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Proteins: Structure, Function, and Bioinformatics

Neutron scattering shows a droplet of oleic acid at the center of the BAMLET complex

Published: 22 April 2017

Author(s): Emma M. Rath, Anthony P. Duff, Elliot P. Gilbert, Greg Doherty, Robert B. Knott, W. Bret Church

ABSTRACT The anti‐cancer complex, Bovine Alpha‐lactalbumin Made LEthal to Tumors (BAMLET), has intriguing broad‐spectrum anti‐cancer activity. Although aspects of BAMLET's anti‐cancer mechanism are still not known, it is understood that it involves the oleic acid or oleate component of BAMLET being preferentially released into cancer cell membranes leading to increased membrane permeability and lysis. The structure of the protein...

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British Journal of Pharmacology

CGRP receptor activity in mice with global expression of human receptor activity modifying protein 1

Published: 22 April 2017

Author(s): Keegan J Bohn, Baolin Li, Xiaofang Huang, Bianca N Mason, Anne‐Sophie Wattiez, Adisa Kuburas, Christopher S Walker, Peiyi Yang, Jianliang Yu, Beverly A Heinz, Kirk W Johnson, Andrew F Russo

Background and Purpose CGRP is a potent vasodilator and nociceptive neuropeptide linked to migraine. CGRP receptors are heterodimers of receptor activity modifying protein 1 (RAMP1) and either calcitonin receptor‐like receptor (CLR; forms canonical CGRP receptor) or calcitonin receptor (CT receptor; forms AMY1 receptor). The goal of this study was to test whether transgenic mice globally expressing human RAMP1 have...

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

February 2017

 


Frederik Sandfort, Matthew J. O'Neill, Josep Cornella, Laurin Wimmer, Phil S. Baran
Alkyl−(Hetero)Aryl Bond Formation via Decarboxylative Cross‐Coupling: A Systematic Analysis [Communication]
Angew. Chem. Int. Ed. 2017, 10.1002/anie.201612314

Ykelien L. Boersma, Melloney J. Dröge, Almer M. van der Sloot, Tjaard Pijning, Robbert H. Cool, Bauke W. Dijkstra, Wim J. Quax
A Novel Genetic Selection System for Improved Enantioselectivity of Bacillus subtilis Lipase A [Full Paper]
ChemBioChem 2008, vol. 9, p. 1110

Isabela C. Man, Hai‐Yan Su, Federico Calle‐Vallejo, Heine A. Hansen, José I. Martínez, Nilay G. Inoglu, John Kitchin, Thomas F. Jaramillo, Jens K. Nørskov, Jan Rossmeisl
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces [Full Paper]
ChemCatChem 2011, vol. 3, p. 1159

Kai Litzius
Wie funktioniert eigentlich ein Touchscreen? [Treffpunkt Forschung]
Chem. Unserer Zeit 2017, vol. 51, p. 10

Tobias Janoschka, Christian Friebe, Martin D. Hager, Norbert Martin, Ulrich S. Schubert
An Approach Toward Replacing Vanadium: A Single Organic Molecule for the Anode and Cathode of an Aqueous Redox‐Flow Battery [Communication]
ChemistryOpen 2017, 10.1002/open.201600155

Fei‐Yan Yi, Dongxiao Chen, Meng‐Ke Wu, Lei Han, Hai‐Long Jiang
Chemical Sensors Based on Metal–Organic Frameworks [Review]
ChemPlusChem 2016, 10.1002/cplu.201600137

Yang Song, Rui Peng, Dale K. Hensley, Peter V. Bonnesen, Liangbo Liang, Zili Wu, Harry M. Meyer, Miaofang Chi, 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, 10.1002/slct.201601169

Florian Ausfelder, Christian Beilmann, Martin Bertau, Sigmar Bräuninger, Angelika Heinzel, Renate Hoer, Wolfram Koch, Falko Mahlendorf, Anja Metzelthin, Marcell Peuckert, Ludolf Plass, Konstantin Räuchle, Martin Reuter, Georg Schaub, Sebastian Schiebahn, Ekkehard Schwab, Ferdi Schüth, Detlef Stolten, Gisa Teßmer, Kurt Wagemann, Karl‐Friedrich Ziegahn
Energiespeicherung als Element einer sicheren Energieversorgung [Übersichtsbeitrag]
Chem. Ing. Tech. 2015, vol. 87, p. 17

Vida Zargar, Morteza Asghari, Amir Dashti
A Review on Chitin and Chitosan Polymers: Structure, Chemistry, Solubility, Derivatives, and Applications [Review]
ChemBioEng Rev. 2015, vol. 2, p. 204

Joanne Tory, Briony Setterfield‐Price, Robert A. W. Dryfe, František Hartl
[M(CO)4(2,2′‐bipyridine)] (M=Cr, Mo, W) Complexes as Efficient Catalysts for Electrochemical Reduction of CO2 at a Gold Electrode [Communication]
ChemElectroChem 2015, vol. 2, p. 213

Hui Teng Tan, Wenping Sun, Libo Wang, Qingyu Yan
2D Transition Metal Oxides/Hydroxides for Energy‐Storage Applications [Focus Review]
ChemNanoMat 2015, 10.1002/cnma.201500177

Lena Rakers, Ludger Tebben, Frank Glorius
co.labore—A Genuine Collaboration between Arts and Science, Reflecting Viewpoints and Merging Skills [Editorial]
Chem. Eur. J. 2017, 10.1002/chem.201700297

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

Himadri Sekhar Sarkar, Sujoy Das, Md Raihan Uddin, Sukhendu Mandal, Prithidipa Sahoo
Selective Recognition and Quantification of 2,3‐Bisphosphoglycerate in Human Blood Samples by a Rhodamine Derivative [Communication]
Asian J. Org. Chem. 2017, vol. 6, p. 71

Hilmar Weinmann
Cancer Immunotherapy: Selected Targets and Small‐Molecule Modulators [Review]
ChemMedChem 2016, vol. 11, p. 450

Chuyang Cheng, J. Fraser Stoddart
Wholly Synthetic Molecular Machines [Minireview]
ChemPhysChem 2016, vol. 17, p. 1780

Arjan W. Kleij, Michael North, Atsushi Urakawa
CO2 Catalysis [Editorial]
ChemSusChem 2017, 10.1002/cssc.201700218

Ariel Adamski, Małgorzata Osińska, Maciej Kubicki, Zbigniew Hnatejko, Giuseppe Consiglio, Violetta Patroniak
Molecular Switching of Copper Complexes with Quaterpyridine [Cover Profile]
Eur. J. Inorg. Chem. 2017, p. 858

Sara Roslin, Luke R. Odell
Visible‐Light Photocatalysis as an Enabling Tool for the Functionalization of Unactivated C(sp3)‐Substrates [Microreview]
Eur. J. Org. Chem. 2017, 10.1002/ejoc.201601479

Inhalt: Lebensmittelchemie 1/2017 [Inhalt]
Lebensmittelchemie 2017, vol. 71

Ludovic Subran
Brexit: mehr Verlierer als Gewinner [Industrie & Technik]
Nachr. Chem. 2017, vol. 65, p. 136

Katrin Sommer, Christina Toschka, Laura Schröder, Thomas Philipp Schröder, Henning Steff, Roland A. Fischer
Modellexperimente im Chemieunterricht. [Artikel]
CHEMKON 2017, vol. 24, p. 13

Sarah Millar
Tips and Tricks for the Lab: Column Choices
ChemViews Magazine 2012.

Most Cited articles from ChemPubSoc Europe, ACES, and GDCh journals


2015

 


Shoujun Zhu, Qingnan Meng, Lei Wang, Junhu Zhang, Yubin Song, Han Jin, Kai Zhang, Hongchen Sun, Haiyu Wang, Bai Yang
Highly Photoluminescent Carbon Dots for Multicolor Patterning, Sensors, and Bioimaging
Angew. Chem. Int. Ed. 2013, vol. 52, pp. 3953–3957

Naohiko Yoshikai, Ye Wei
Synthesis of Pyrroles, Indoles, and Carbazoles through Transition-Metal-Catalyzed C–H Functionalization [Review]
Asian J. Org. Chem. 2013, vol. 2, pp. 466–478

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

Konggang Qu, Jiasi Wang, Jinsong Ren, Xiaogang Qu
Carbon Dots Prepared by Hydrothermal Treatment of Dopamine as an Effective Fluorescent Sensing Platform for the Label-Free Detection of Iron(III) Ions and Dopamine [Full Paper]
Chem. Eur. J. 2013, vol. 19, pp. 7243–7249

Philipp Kaiser, Rajabhau Bajirao Unde, Christoph Kern, Andreas Jess
Production of Liquid Hydrocarbons with CO2 as Carbon Source based on Reverse Water-Gas Shift and Fischer-Tropsch Synthesis [Research Article]
Chem. Ing. Tech. 2013, vol. 85, pp. 489–499

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

Balayeshwanth R. Vummidi, Jawad Alzeer, Nathan W. Luedtke
Fluorescent Probes for G-Quadruplex Structures [Review]
ChemBioChem 2013, vol. 14, pp. 540–558

Ashish Kumar Singh, Qiang Xu
Synergistic Catalysis over Bimetallic Alloy Nanoparticles [Review]
ChemCatChem 2013, vol. 5, pp. 652–676

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

Marc Steinmetz, Stefan Grimme
Benchmark Study of the Performance of Density Functional Theory for Bond Activations with (Ni,Pd)-Based Transition-Metal Catalysts [Full Paper]
ChemistryOpen 2013, vol. 2, pp. 115–124

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
Fueling Open-Source Drug Discovery: 177 Small-Molecule Leads against Tuberculosis [Full Paper]
ChemMedChem 2013, vol. 8, pp. 313–321

Peter Politzer, Jane S. Murray
Halogen Bonding: An Interim Discussion [Review]
ChemPhysChem 2013, vol. 14, pp. 278–294

Philipp Scharf, Jens Müller
Nucleic Acids With Metal-Mediated Base Pairs and Their Applications [Review]
ChemPlusChem 2013, vol. 78, pp. 20–34

Volker Hessel, Dana Kralisch, Norbert Kockmann, Timothy Noël, Qi Wang
Novel Process Windows for Enabling, Accelerating, and Uplifting Flow Chemistry [Review]
ChemSusChem 2013, vol. 6, pp. 746–789

Helena J. Shepherd, Gábor Molnár, William Nicolazzi, Lionel Salmon, Azzedine Bousseksou
Spin Crossover at the Nanometre Scale [Microreview]
Eur. J. Inorg. Chem. 2013, pp. 653–661

Junichiro Yamaguchi, Kei Muto, Kenichiro Itami
Recent Progress in Nickel-Catalyzed Biaryl Coupling [Microreview]
Eur. J. Org. Chem. 2013, pp. 19–30

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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