Molecular Systems Design & Engineering Blog

Top 10 most-read Molecular Systems Design & Engineering articles – Q2 2018

14 Aug 2018

This month sees the following articles from the last 12 months in Reaction Chemistry & Engineering that are the top ten most read during April–June 2018:

Beyond native block copolymer morphologies
Gregory S. Doerk and Kevin G. Yager
Mol. Syst. Des. Eng., 2017,2, 518-538
DOI: 10.1039/C7ME00069C

Advancements on the molecular design of nanoantibiotics: current level of development and future challenges
Roxana Jijie, Alexandre Barras, Florina Teodorescu, Rabah Boukherroub and Sabine Szunerits
Mol. Syst. Des. Eng., 2017,2, 349-369
DOI: 10.1039/C7ME00048K

Targeted drug delivery using iRGD peptide for solid cancer treatment
Xiangsheng Liu, Jinhong Jiang, Ying Ji, Jianqin Lu, Ryan Chan and Huan Meng
Mol. Syst. Des. Eng., 2017,2, 370-379
DOI: 10.1039/C7ME00050B

Design and engineering of high-performance photocatalytic systems based on metal oxide–graphene–noble metal nanocomposites
Narendra Singh, Jai Prakash and Raju Kumar Gupta
Mol. Syst. Des. Eng., 2017,2, 422-439
DOI: 10.1039/C7ME00038C

Modulating the catalytic activity of enzyme-like nanoparticles through their surface functionalization
Roberto Cao-Milán, Luke D. He, Spencer Shorkey, Gulen Y. Tonga, Li-Sheng Wang, Xianzhi Zhang, Imad Uddin, Riddha Das, Mine Sulakc and Vincent M. Rotello
Mol. Syst. Des. Eng., 2017,2, 624-628
DOI: 10.1039/C7ME00055C

Design of transition-metal-doped TiO2 as a multipurpose support for fuel cell applications: using a computational high-throughput material screening approach
Meng-Che Tsai, John Rick, Wei-Nien Su and Bing-Joe Hwang
Mol. Syst. Des. Eng., 2017,2, 449-456
DOI: 10.1039/C7ME00039A

In vitro delivery of calcium ions by nanogated mesoporous silica nanoparticles to induce cancer cellular apoptosis
Derrick Tarn, Chia-Jung Yu, Jie Lu, Anna Hartz, Fuyuhiko Tamanoi and Jeffrey I. Zink
Mol. Syst. Des. Eng., 2017,2, 384-392
DOI: 10.1039/C7ME00046D

Directing block copolymer self-assembly with permanent magnets: photopatterning microdomain alignment and generating oriented nanopores
Manesh Gopinadhan, Youngwoo Choo, Lalit H. Mahajan, Dennis Ndaya, Gilad Kaufman, Yekaterina Rokhlenko, Rajeswari M. Kasi and Chinedum O. Osuji
Mol. Syst. Des. Eng., 2017,2, 549-559
DOI: 10.1039/C7ME00070G

Computational design of biological circuits: putting parts into context
Eleni Karamasioti, Claude Lormeauab and Jörg Stelling
Mol. Syst. Des. Eng., 2017,2, 410-421
DOI: 10.1039/C7ME00032D

Inverting the design path for self-assembled block copolymers
Karim R. Gadelrab, Adam F. Hannon, Caroline A. Rossa and Alfredo Alexander-Katz
Mol. Syst. Des. Eng., 2017,2, 539-548
DOI: 10.1039/C7ME00062F

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Welcoming Andrew deMello to the MSDE Editorial Board

26 Jun 2018

By Hugh Cowley, Development Editor.

We are delighted to welcome Professor Andrew deMello (ETH Zurich, Switzerland) to the Molecular Systems Design & Engineering Editorial Board.

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Andrew is currently Professor of Biochemical Engineering in the Department of Chemistry and Applied Biosciences at ETH Zurich and Head of the Institute for Chemical and Bioengineering. Prior to his arrival in Zurich he was Professor of Chemical Nanosciences and Head of the Nanostructured Materials and Devices Section in the Chemistry Department at Imperial College London.

He obtained a 1st Class Degree in Chemistry and PhD in Molecular Photophysics from Imperial College London in 1995 and subsequently held a Postdoctoral Fellowship in the Department of Chemistry at the University of California, Berkeley working with professor Richard Mathies.

His research interests cover a broad range of activities in the general area of microfluidics and nanoscale science. Primary specializations include the development of microfluidic devices for high-throughput biological and chemical analysis, ultra-sensitive optical detection techniques, nanofluidic reaction systems for chemical synthesis, novel methods for nanoparticle synthesis, the exploitation of semiconducting materials in diagnostic applications, the development of intelligent microfluidics and the processing of living organisms.

Please join us in warmly welcoming Professor deMello to the MSDE Editorial Board!

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Materials Discovery Research Symposium

14 Jun 2018

By Laura Fisher, Deputy Editor.

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Top 10 Most-read Molecular Systems Design & Engineering articles – Q1 2018

23 Apr 2018

By Hugh Cowley, Development Editor.

This month sees the following articles in Molecular Systems Design & Engineering that are in the top ten most read from January – March 2018.

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

Insights from molecular dynamics simulations for computational protein design
Matthew Carter Childers and Valerie Daggett
Mol. Syst. Des. Eng., 2017, 2, 9-33
DOI: 10.1039/C6ME00083E

A road towards 25% efficiency and beyond: perovskite tandem solar cells
T. Todorov, O. Gunawan and S. Guha
Mol. Syst. Des. Eng., 2016, 1, 370-376
DOI: 10.1039/C6ME00041J

Evaluating the friction of rotary joints in molecular machines
Tad Hogg, Matthew S. Moses and Damian G. Allis
Mol. Syst. Des. Eng., 2017, 2, 235-252
DOI: 10.1039/C7ME00021A

Beyond native block copolymer morphologies
Gregory S. Doerk and Kevin G. Yager
Mol. Syst. Des. Eng., 2017, 2, 518-538
DOI: 10.1039/C7ME00069C

A solution-processable dissymmetric porous organic cage
A. G. Slater, M. A. Little, M. E. Briggs, K. E. Jelfs and A. I. Cooper
Mol. Syst. Des. Eng., 2018, 3, 223-227
DOI: 10.1039/C7ME00090A

Elucidating multi-physics interactions in suspensions for the design of polymeric dispersants: a hierarchical machine learning approach
Aditya Menon, Chetali Gupta, Kedar M. Perkins, Brian L. DeCost, Nikita Budwal, Renee T. Rios, Kun Zhang, Barnabás Póczos and Newell R. Washburn
Mol. Syst. Des. Eng., 2017, 2, 263-273
DOI: 10.1039/C7ME00027H

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

Targeted drug delivery using iRGD peptide for solid cancer treatment
Xiangsheng Liu, Jinhong Jiang, Ying Ji, Jianqin Lu, Ryan Chan and Huan Meng
Mol. Syst. Des. Eng., 2017, 2, 370-379
DOI: 10.1039/C7ME00050B

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

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Welcoming Kristi Kiick to the MSDE Editorial Board

05 Apr 2018

By Hugh Cowley, Development Editor.

We are delighted to welcome Professor Kristi Kiick (University of Delaware, USA) to the Molecular Systems Design & Engineering Editorial Board.

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Kristi Kiick is a Professor of Materials Science and Engineering, Professor of Biomedical Engineering, and Deputy Dean of the University of Delaware College of Engineering. Following a BS in chemistry at the University of Delaware, Professor Kiick received MS in chemistry from the University of Georgia, USA then an MS and PhD in polymer science and engineering from the University of Massachusetts Amherst, USA before returning to join the faculty of the University of Delaware in 2001.

Professor Kiick has been awarded several honours, including the Camille and Henry Dreyfus Foundation New Faculty Award, the Arnold and Mabel Beckman Young Investigator Award, an NSF CAREER Award, the DuPont Young Professor Award, and the Delaware Biosciences Academic Research Award.

The Kiick Research Group current research programs are focused on combining biosynthetic techniques, chemical methods, and bioinspired assembly strategies for the production of advanced multifunctional biomaterials.

Please join us in warmly welcoming Professor Kiick to the MSDE Editorial Board!

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Outstanding Reviewers for Molecular Systems Design & Engineering in 2017

22 Mar 2018

By Emma Hayes, Editorial Assistant.

We would like to highlight the Outstanding Reviewers for MSDE in 2017, as selected by the editorial team, for their significant contribution to the journal. The reviewers have been chosen based on the number, timeliness and quality of the reports completed over the last 12 months.

We would like to say a big thank you to those individuals listed here as well as to all of the reviewers that have supported the journal. Each Outstanding Reviewer will receive a certificate to give recognition for their significant contribution.

Dr Daniel Carvajal, Northwestern University
Dr Shengfeng Cheng, Virginia Tech, ORCID: 0000-0002-6066-2968
Professor Seth Darling, Argonne National Lab, ORCID: 0000-0002-5461-6965
Dr Ting Ge, Duke University, ORCID: 0000-0003-2456-732X
Dr Yamin Li, Tufts University, ORCID: 0000-0002-5535-1807
Dr Xingkun Man, Beihang University, ORCID: 0000-0003-4266-1539
Professor Ras Pandey, University of Southern Mississippi, ORCID: 0000-0003-4233-8897
Dr Athanasios Papadopoulos, Centre for Research and Technolgy-Hellas, ORCID: 0000-0001-6584-5811
Dr Run Zhang, University of Queensland, ORCID: 0000-0002-0943-824X
Dr Huacheng Zhang, University of Texas at Austin, ORCID: 0000-0002-1716-5763

We would also like to thank the MSDE boards and the molecular engineering community for their continued support of the journal, as authors, reviewers and readers.

If you would like to become a reviewer for our journal, just email us with details of your research interests and an up-to-date CV or résumé. You can find more details in our author and reviewer resource centre

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Top 10 Most-read Molecular Systems Design & Engineering articles – Q4 2017

30 Jan 2018

By Emma Hayes, Editorial Assistant.

This month sees the following articles in Molecular Systems Design & Engineering that are in the top ten most read from October – December 2017.

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

Insights from molecular dynamics simulations for computational protein design
Matthew Carter Childers and Valerie Daggett
Mol. Syst. Des. Eng., 2017, 2, 9-33
DOI: 10.1039/C6ME00083E

A road towards 25% efficiency and beyond: perovskite tandem solar cells
T. Todorov, O. Gunawan and S. Guha
Mol. Syst. Des. Eng., 2016, 1, 370-376
DOI: 10.1039/C6ME00041J

Evaluating the friction of rotary joints in molecular machines
Tad Hogg, Matthew S. Moses and Damian G. Allis
Mol. Syst. Des. Eng., 2017, 2, 235-252
DOI: 10.1039/C7ME00021A

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 SERS nanotags for multiplexed lateral flow immunoassays
Maria Sánchez-Purrà, Biel Roig-Solvas, Alice Versiani, Cristina Rodriguez-Quijada, Helena de Puig, Irene Bosch, Lee Gehrke and Kimberly Hamad-Schifferli
Mol. Syst. Des. Eng., 2017, 2, 401-409
DOI: 10.1039/C7ME00052A

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Top 10 Most-read Molecular Systems Design & Engineering articles – Q3 2017

30 Jan 2018

By Emma Hayes, Editorial Assistant.

This month sees the following articles in Molecular Systems Design & Engineering that are in the top ten most read from July – September 2017.

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

Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study
Giulio Pepe, Jacqueline M. Cole, Paul G. Waddell and James I. Perry
Mol. Syst. Des. Eng., 2016, 1, 416-435
DOI: 10.1039/C6ME00076B

Insights from molecular dynamics simulations for computational protein design
Matthew Carter Childers and Valerie Daggett
Mol. Syst. Des. Eng., 2017, 2, 9-33
DOI: 10.1039/C6ME00083E

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

2D and 3D-printing of self-healing gels: design and extrusion of self-rolling objects
Milena Nadgorny, Zeyun Xiao and Luke A. Connal
Mol. Syst. Des. Eng., 2017, 2, 283-292
DOI: 10.1039/C7ME00023E

A road towards 25% efficiency and beyond: perovskite tandem solar cells
T. Todorov, O. Gunawan and S. Guha
Mol. Syst. Des. Eng., 2016, 1, 370-376
DOI: 10.1039/C6ME00041J

Molecular engineering of organic sensitizers with o,p-dialkoxyphenyl-based bulky donors for highly efficient dye-sensitized solar cells
Xing Li, Xiaoyu Zhang, Jianli Hua and He Tian
Mol. Syst. Des. Eng., 2017, 2, 98-122
DOI: 10.1039/C7ME00002B

Evaluating the friction of rotary joints in molecular machines
Tad Hogg, Matthew S. Moses and Damian G. Allis
Mol. Syst. Des. Eng., 2017, 2, 235-252
DOI: 10.1039/C7ME00021A

Deracemisations under kinetic and thermodynamic control
A. R. A. Palmans
Mol. Syst. Des. Eng., 2017, 2, 34-46
DOI: 10.1039/C6ME00088F

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Top 10 Most-accessed Molecular Systems Design & Engineering articles – Q2 2017

31 Jul 2017

By Emma Hayes, Editorial Assistant.

This month sees the following articles in Molecular Systems Design & Engineering that are in the top ten most accessed from April – June 2017:

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

Insights from molecular dynamics simulations for computational protein design
Matthew Carter Childers and Valerie Daggett
Mol. Syst. Des. Eng., 2017, 2, 9-33
DOI: 10.1039/C6ME00083E

A road towards 25% efficiency and beyond: perovskite tandem solar cells
Todorov, O. Gunawan and S. Guha
Mol. Syst. Des. Eng., 2016, 1, 370-376
DOI: 10.1039/C6ME00041J

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

Non-conventional charge transport in organic semiconductors: magnetoresistance and thermoelectricity
Oliver Fenwick and Emanuele Orgiu
Mol. Syst. Des. Eng., 2017, 2, 47-56
DOI: 10.1039/C6ME00079G

Design of a three-state switchable chromogenic radical-based moiety and its translation to molecular logic systems
Sanjoy Mukherjee and Bryan W. Boudouris
Mol. Syst. Des. Eng., 2017, 2, 159-164
DOI: 10.1039/C7ME00010C

Deracemisations under kinetic and thermodynamic control
A. R. A. Palmans
Mol. Syst. Des. Eng., 2017, 2, 34-46
DOI: 10.1039/C6ME00088F

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APCChE 2017

20 Jun 2017

By Emma Hayes, Editorial Assistant.

APCChE is a bi-annual conference for the Asian Pacific community of chemical and process engineers and industrial chemists, who come together to discuss latest developments in the field and recognise outstanding achievements. Taking place from 23-27 August at the Hong Kong Convention and Exhibition Centre, topics covered will include:

Green technologies
Eco-Design – Products and Processes
Reaction engineering and catalysis
Separation technologies
Process simulation and control
Bioproducts, food and bioprocessing

Plenary speakers confirmed:

Khalil Amine (Argonne National Laboratory, USA)
Gerald G. Fuller (Stanford University, USA)
Ganapati D. Yadav (Institute of Chemical Technology, India)
Jackie Y. Ying (Institute of Bioengineering and Nanotechnology, Singapore)
Jinghai Li (Institute of Process Engineering, Chinese Academy of Sciences, China)
Karen K. Gleason (MIT, USA)
Philippe A. Tanguy (R&D Partnerships, France)
Yi Cui (Stanford University, USA)
Zhanfeng Cui (University of Oxford, UK)
Dongyuan Zhao (Fudan University, China)

To register now, click here or visit the APCChE website for more details.

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Molecular Systems Design & Engineering Blog

Top 10 most-read Molecular Systems Design & Engineering articles – Q2 2018

Welcoming Andrew deMello to the MSDE Editorial Board

Materials Discovery Research Symposium

Top 10 Most-read Molecular Systems Design & Engineering articles – Q1 2018

Welcoming Kristi Kiick to the MSDE Editorial Board

Outstanding Reviewers for Molecular Systems Design & Engineering in 2017

Top 10 Most-read Molecular Systems Design & Engineering articles – Q4 2017

Top 10 Most-read Molecular Systems Design & Engineering articles – Q3 2017

Top 10 Most-accessed Molecular Systems Design & Engineering articles – Q2 2017

APCChE 2017

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