Archive for the ‘Top Ten’ Category

Top 10 most-read MSDE articles – Q1 2019

This month sees the following articles from the last 12 months in MSDE that are in the top ten most read during January–March 2019:

Enabling precision manufacturing of active pharmaceutical ingredients: workflow for seeded cooling continuous crystallisations
Cameron J. Brown, Thomas McGlone, Stephanie Yerdelen, Vijay Srirambhatla, Fraser Mabbott, Rajesh Gurung, Maria L. Briuglia, Bilal Ahmed, Hector Polyzois, John McGinty, Francesca Perciballi, Dimitris Fysikopoulos, Pól MacFhionnghaile, Humera Siddique, Vishal Raval, Tomás S. Harrington, Antony D. Vassileiou, Murray Robertson, Elke Prasad, Andrea Johnston, Blair Johnston, Alison Nordon, Jagjit S. Srai, Gavin Halbert, Joop H. ter Horst, Chris J. Price, Chris D. Rielly, Jan Sefcik and Alastair J. Florence
Mol. Syst. Des. Eng., 2018,3, 518-549
DOI10.1039/C7ME00096K

Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery
Bryce Meredig, Erin Antono, Carena Church, Maxwell Hutchinson, Julia Ling, Sean Paradiso, Ben Blaiszik, Ian Foster, Brenna Gibbons, Jason Hattrick-Simpers, Apurva Mehta and Logan Ward
Mol. Syst. Des. Eng., 2018,3, 819-825
DOI10.1039/C8ME00012C

Deep learning for chemical reaction prediction
David Fooshee, Aaron Mood, Eugene Gutman, Mohammadamin Tavakoli, Gregor Urban, Frances Liu, Nancy Huynh, David Van Vranken and Pierre Baldi
Mol. Syst. Des. Eng., 2018,3, 442-452
DOI10.1039/C7ME00107J

Li- and Mn-rich layered oxide cathode materials for lithium-ion batteries: a review from fundamentals to research progress and applications
Hongge Pan, Shiming Zhang, Jian Chen, Mingxia Gao, Yongfeng Liu, Tiejun Zhu and Yinzhu Jiang
Mol. Syst. Des. Eng., 2018,3, 748-803
DOI10.1039/C8ME00025E

Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworksBenjamin J. Bucior, N. Scott Bobbitt, Timur Islamoglu, Subhadip Goswami, Arun Gopalan, Taner Yildirim, Omar K. Farha, Neda Bagheri and Randall Q. Snurr
Mol. Syst. Des. Eng., 2019,4, 162-174
DOI10.1039/C8ME00050F

Catalytic single-chain polymeric nanoparticles at work: from ensemble towards single-particle kinetics
Yiliu Liu, Petri Turunen, Bas F. M. de Waal, Kerstin G. Blank, Alan E. Rowan, Anja R. A. Palmans and E. W. Meijer
Mol. Syst. Des. Eng., 2018,3, 609-618
DOI10.1039/C8ME00017D

Cellulose nanocrystals in nanoarchitectonics – towards photonic functional materials

Stable and efficient generation of poly(β-amino ester)s for RNAi delivery

Molecular engineering of perovskite photodetectors: recent advances in materials and devices

Electric field induced rotation of halogenated organic linkers in isoreticular metal–organic frameworks for nanofluidic applications

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Top 10 Most-accessed Molecular Systems Design & Engineering articles – Q4 2016

This month sees the following articles in Molecular Systems Design & Engineering that are in the top ten most accessed from October – December 2016:

Why not take a look at the articles today and blog your thoughts and comments below.

Charge generation in organic photovoltaics: a review of theory and computation
Kenley M. Pelzer and Seth B. Darling
Mol. Syst. Des. Eng., 2016,1, 10-24
DOI: 10.1039/C6ME00005C

High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas
Efrem Braun, Alexander F. Zurhelle, Wouter Thijssen, Sondre K. Schnell, Li-Chiang Lin, Jihan Kim, Joshua A. Thompson and Berend Smit
Mol. Syst. Des. Eng., 2016,1, 175-188
DOI: 10.1039/C6ME00043F

Molecular devices based on reversible singlet oxygen binding in optical and photomedical applications
Mikhail A. Filatov and Mathias O. Senge
Mol. Syst. Des. Eng., 2016,1, 258-272
DOI: 10.1039/C6ME00042H

Microparticulate/nanoparticulate powders of a novel Nrf2 activator and an aerosol performance enhancer for pulmonary delivery targeting the lung Nrf2/Keap-1 pathway
Priya Muralidharan, Don Hayes, Stephen M. Black and Heidi M. Mansour
Mol. Syst. Des. Eng., 2016,1, 48-65
DOI: 10.1039/C5ME00004A

Designing multi-layer graphene-based assemblies for enhanced toughness in nacre-inspired nanocomposites
Wenjie Xia, Jake Song, Zhaoxu Meng, Chen Shao and Sinan Keten
Mol. Syst. Des. Eng., 2016,1, 40-47
DOI: 10.1039/C6ME00022C

Design and functionalization of responsive hydrogels for photonic crystal biosensors
Sukwon Jung, Joel L. Kaar and Mark P. Stoykovich
Mol. Syst. Des. Eng., 2016,1, 225-241
DOI: 10.1039/C6ME00031B

Design of block copolymer membranes using segregation strength trend lines
Burhannudin Sutisna, Georgios Polymeropoulos, Valentina Musteata, Klaus-Viktor Peinemann, Apostolos Avgeropoulos, Detlef-M. Smilgies, Nikos Hadjichristidis and Suzana P. Nunes
Mol. Syst. Des. Eng., 2016,1, 278-289
DOI: 10.1039/C6ME00033A

Computer-aided molecular design and selection of CO2 capture solvents based on thermodynamics, reactivity and sustainability
Athanasios I. Papadopoulos, Sara Badr, Alexandros Chremos, Esther Forte, Theodoros Zarogiannis, Panos Seferlis, Stavros Papadokonstantakis, Amparo Galindo, George Jackson and Claire S. Adjiman
Mol. Syst. Des. Eng., 2016,1, 313-334
DOI: 10.1039/C6ME00049E

Tribology of surface-grafted polymer brushes
Piotr Mocny and Harm-Anton Klok
Mol. Syst. Des. Eng., 2016,1, 141-154
DOI: 10.1039/C5ME00010F

One-dimensional assembly of functional proteins: toward the design of an artificial cellulosome
Y. Mori, H. Nakazawa, G. A. L. Gonçalves, T. Tanaka, M. Umetsu and N. Kamiya
Mol. Syst. Des. Eng., 2016,1, 66-73
DOI: 10.1039/C5ME00011D

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