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Welcoming Claire Adjiman as the new Editor-in-Chief and Andrew Ferguson as the new Deputy Editor-in-Chief of MSDE

We are delighted to announce that Professor Claire Adjiman (Imperial College London, UK) has been appointed as the new Editor-in-Chief for MSDE. Furthermore, we are pleased that Claire will be joined by Professor Andrew Ferguson (University of Chicago, USA) as Deputy Editor-in-Chief for the journal.

 

Claire Adjiman, MSDE Editor-in-Chief

Claire Adjiman is Professor of Chemical Engineering at Imperial College London. Her research is focused on multiscale process and molecular/materials design, including the development of design methods, property prediction techniques and optimisation algorithms. She is a Fellow of the Royal Academy of Engineering, an International Honorary Member of the American Academy of Arts and Sciences and of the US National Academy of Engineering as well as a Fellow of IChemE and the RSC. At Imperial College London, she was a Founding Co-Director of the Institute for Molecular Science and Engineering and is Director of the Centre for Process Systems Engineering.

The MSDE proposition, at the crossroads between pressing societal needs and emerging scientific innovation, is timely and compelling. The journal excels at bringing together researchers across often disparate fields of research to form a “molecular systems design community”.” – Claire Adjiman

 

Andrew Ferguson, MSDE Deputy Editor-in-Chief

Andrew Ferguson is an Associate Professor at the Pritzker School of Molecular Engineering at the University of Chicago. His research uses molecular simulation, statistical thermodynamics, and machine learning to understand and engineer self-assembling and biomolecular materials. Ferguson is the recipient of a 2020 Dreyfus Foundation Award for Machine Learning in the Chemical Sciences and Engineering and a 2018/19 Junior Moulton Medal of the Institution of Chemical Engineers.

I feel privileged to work with the RSC, IChemE, Claire and the MSDE board and Editorial office to collaboratively steward the journal to continued future success.”
– Andrew Ferguson

 

 

We would like to take this opportunity to thank our founding Editorial Board Chair Professor Juan de Pablo for his 8 years of service to the journal and wider molecular engineering community.

 ———-

Interested to find out more about Claire and Andy’s latest research? Check out their recent papers published in RSC journals, all available to read for free either Open Access or until July 31st:

Computational design of self-assembling peptide chassis materials for synthetic cells
Mol. Syst. Des. Eng., 2023, 8, 39-52
Ma, Rohan Kapoor, Bineet Sharma, Allen P. Liu and Andrew L. Ferguson*

Beyond a heuristic analysis: integration of process and working-fluid design for organic Rankine cycles
Mol. Syst. Des. Eng., 2020, 5, 493-510
David H. Bowskill, Uku Erik Tropp, Smitha Gopinath, George Jackson, Amparo Galindo and Claire S. Adjiman*

Understanding and design of non-conservative optical matter systems using Markov state models
Mol. Syst. Des. Eng., 2022, 7, 1228-1238
Shiqi Chen, John A. Parker, Curtis W. Peterson, Stuart A. Rice, Norbert F. Scherer* and Andrew L. Ferguson*

How many more polymorphs of ROY remain undiscovered
Chem. Sci., 2022, 13, 1288-1297
Gregory J. O. Beran*, Isaac J. Sugden, Chandler Greenwell, David H. Bowskill, Constantinos C. Pantelides and Claire S. Adjiman

Data-driven discovery of cardiolipin-selective small molecules by computational active learning
Chem. Sci., 2022, 13, 4498
Bernadette Mohr, Kirill Shmilovich, Isabel S. Kleinwachter, Dirk Schneider, Andrew L. Ferguson* and Tristan Bereau*

 ——

Please join us in welcoming Claire and Andrew as they lead the journal to continued success, as well as in thanking Juan for his critical role in establishing MSDE as the journal of the molecular engineering community.

To keep up to date with the latest molecular engineering research and other journal news, sign up to our e-alerts.

Meet the MSDE Editorial Board

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Introducing the MSDE Emerging Investigators Series

Since the first issue of Molecular Systems Design & Engineering (MSDE) in 2016, the journal has showcased two special issues dedicated to work carried out by researchers in the earlier stages of their research careers:

We hope the molecular engineering community has found these issues to be valuable, both in the high quality of the articles and in drawing attention to newer voices in the community. The journal editors and Editorial Board consider these issues in particular to have been highly successful.

In light of the ongoing disruption to research programmes worldwide, we have taken the opportunity to reassess the format of this initiative, and we are now excited to announce the launch of the MSDE Emerging Investigators Series.

What is changing?

In place of a dedicated journal issue, Emerging Investigators papers will be published throughout the year. We anticipate the following benefits to this change:

  • No fixed submission deadlines allowing more flexibility for authors
  • Continual exposure of exciting work from early-career members of the community
  • Greater emphasis and focus on individual authors and research groups

We hope for this to help address the immediate concern of disrupted research schedules, while also offering a better service to our authors and readers well into the future.

What is not changing?

While we will no longer dedicate a specific journal issue to our Emerging Investigators, all other aspects of this initiative will remain the same. This includes:

  • Eligibility criteria (see below)
  • A dedicated web page for published articles alongside our other collections
  • Rigour and speed in peer review
  • An overall objective to showcase the full diversity of cutting-edge research carried out by newer voices in the molecular engineering community worldwide.

The MSDE Emerging Investigators Series will also remain an invitation-only initiative, with nominations curated by our Editorial and Advisory Board members. We will however consider additional applications and nominations on their own merit.

What happens now?

The MSDE Editorial Office will contact nominated Emerging Investigators throughout the year.

Regarding eligibility, contributors must:

  • Publish research within the journal scope
  • Currently be an independent research leader
  • Have not been featured as an Emerging Investigator in a previous MSDE Emerging Investigators issue or series article.
  • Have either a) received their PhD no earlier than 01 January of the year 12 years prior to the year of submission, or b) have no more than 12 years of post-PhD research experience on 01 January in the year of submission when taking into account any career breaks.

(For example: for submission in 2021 an eligible contributor must have either a) a PhD awarded on or after 01 January 2009, or b) no more than 12 years of post-PhD research experience by 01 January 2021)

Authors previously featured as MSDE Emerging Investigators may with no restriction be co-authors on subsequent papers in the MSDE Emerging Investigators Series, but they may not be the sole eligible corresponding author, and will not be featured as Emerging Investigators more than once.

Contributors will be required to confirm their eligibility by sending their CV to the journal editors.

Footnote on the MSDE Outstanding Early-Career Paper Award

You may note that the eligibility criteria for the MSDE Emerging Investigators Series are the same as for the annual journal Outstanding Early-Career Paper Award.

Read more about the 2019 winner Prof. Jodie Lutkenhaus

All papers published as part of the MSDE Emerging Investigators Series will automatically be considered for this award, unless the featured author is a previous winner of this award.

Subsequent papers published in the journal by previously-featured Emerging Investigators will still qualify for consideration for the Outstanding Early-Career Paper Award if they meet the Award criteria, unless the featured author is a previous winner of this award. Their subsequent papers will however not be eligible for inclusion in the Emerging Investigators Series. For authors in this situation we repeat the following guidance:

To have your paper considered for the annual MSDE Outstanding Early-Career Paper Award, indicate when prompted upon submission of your revised manuscript if a corresponding author of the paper fulfils these criteria. Multiple eligible authors of a winning paper will share the prize fund equally. You can contact the editors at molecularengineering-rsc@rsc.org if you have any queries.

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Outstanding Reviewers for MSDE in 2018

Outstanding Reviewers for MSDE in 2018

We would like to highlight the Outstanding Reviewers for MSDE in 2018, 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.

Professor Antonio Cammarata, Czech Technical University in Prague ORCiD: 0000-0002-5691-0682

Dr Stacy Copp, Los Alamos National Laboratory ORCiD: 0000-0002-1788-1778

Dr Peiyuan Gao, Pacific Northwest National Laboratory

Professor Heather Kulik, Massachusetts Institute of Technology ORCiD: 0000-0001-9342-0191

Professor Tim Mueller, Johns Hopkins University ORCiD: 0000-0001-8284-7747

Professor Rochus Schmid, Ruhr-Universitat Bochum ORCiD: 0000-0002-1933-3644

Professor Paweł Szabelski, Maria Curie-Skłodowska  ORCiD: 0000-0002-3543-9430

Professor Thijs Vlugt, Delft University of Technology ORCiD: 0000-0003-3059-8712

Dr Huacheng Zhang, Xi’an Jiaotong University ORCiD: 0000-0002-1716-5763

Professor Yuanyuan Zhou, Brown University ORCiD: 0000-0002-8792-2213

We would also like to thank the MSDE board 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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Frontiers of Molecular Engineering: A First-of-its-Kind Conference

Reposted from RSC Americas Blog, words by Marika Wieliczko.

CHICAGO, IL – SEPTEMBER 27: The University of Chicago Institute for Molecular Engineering in partnership with the National Science Foundation, The Institution of Chemical Engineers and Molecular Systems Design & Engineering hosted “Frontiers of Molecular Engineering” at the University of Chicago in Chicago, Illinois. (Photo credit: Randy Belice for the University of Chicago.) © Institute for Molecular Engineering at the University of Chicago.

Beyond publishing high-quality journals, The Royal Society of Chemistry aims to bring together communities of researchers from all stages of their careers and from around the world for active exchange of ideas. The inaugural Frontiers of Molecular Engineering Symposium was organized by members of the Molecular Systems Design & Engineering (MSDE) team and hosted by the Institute for Molecular Engineering (IME) at the University of Chicago. This first-of-its-kind symposium brought together world leaders in the emerging field of molecular engineering to share their latest work and to discuss key challenges to innovation.

Developing a diverse, interdisciplinary community

Left to right: Laura Fisher, Andy Ferguson, Luke Connal, Marcus Müller, Patrick Stayton, Neil Hammond, and Kristi Kiick. (Photo credit: Randy Belice for the University of Chicago.) © Institute for Molecular Engineering at the University of Chicago

As a joint venture between the Royal Society of Chemistry and the Institution of Chemical Engineers (IChemE), MSDE is a truly interdisciplinary, first-of-its kind journal, crossing the boundary between chemistry and chemical engineering. Dr. Neil Hammond, Executive Editor, and Dr. Laura Fisher, Deputy Editor of MSDE, work with the Editorial Board to develop the journal and the community that it caters to – spanning experimental, theoretical, and computational research in physics, biology, chemistry, engineering, and materials science, with the international Editorial Board reflecting the diversity of the field. Over the course of the two-day event, 25 researchers convened to discuss their discoveries and the future of molecular engineering with 120 attendees that included researchers from all levels, from graduate students to experienced research scientists. Speakers came from institutions across the globe, including the University of Chicago, Argonne National Laboratory, Stanford University, Massachusetts Institute of Technology, University of California at Berkeley, Australian National University, Imperial College London, and Collège de France.  Along with Laura and Neil, almost all of the Editorial Board members attended and contributed to the success of the symposium, including Juan de Pablo, Claire Adjiman, Luke Connal, Andrew de Mello, Andrew Ferguson, Samson Jenekhe, Kristi Kiick and Patrick Stayton.


“Advances in our ability to manipulate molecules have led to the concept of using molecular principles to engineer solutions to societal problems.”


The Chair of the Editorial Board, Juan de Pablo, Liew Family Professor in Molecular Engineering at IME and vice president of national laboratories at UChicago, opened the symposium, noting that advances in the ability to manipulate molecules “has led to the concept of using molecular principles to engineer solutions to societal challenges.” The conference included a panel discussion focused on how molecular engineering is taught and researched at three of the key molecular engineering institutes: Board Members Claire Adjiman, Professor of Chemical Engineering and co-Director of the Institute for Molecular Science and Engineering at Imperial College London, and Patrick Stayton, Bioengineering Distinguished Term Professor and Director of the Molecular Engineering and Sciences Institute at the University of Washington, joined Matthew Tirrell, dean and founding Pritzker director of the IME for the panel discussion on the past, present, and future of molecular engineering.

Left to right: Editorial Board Chair Juan de Pablo and Board Members Patrick Stayton and Claire Adjiman join IME Director Matthew Tirrell for a panel discussion at the Frontiers of Molecular Engineering Symposium on September 27 2018. (Photo credit: Randy Belice for the University of Chicago.) © Institute for Molecular Engineering at the University of Chicago

Cutting-edge research

Poornima Padmanabhan is an Assistant Professor of Chemical Engineering at the Rochester Institute of Technology, and her paper on gravitational collapse of colloidal gels was featured on the cover of Soft Matter earlier this year. Emphasizing the interdisciplinarity of the emerging molecular engineering field, she said she attended the event to “learn about the cutting-edge science and get new ideas for my research.” Frontiers of Molecular Engineering initiated in-depth discussions of critical issues that intersect with this new field of scientific study. Presentations focused primarily on fundamental materials science, with an emphasis on global challenges in health care and the environment.

On the health care side, Sarah Heilshorn of Stanford, who also serves on the Editorial Board of Biomaterials Science, covered new developments in stem cell transplantation. John Rogers of Northwestern University discussed bio-resorbable implants and the development of water-soluble transient electronics. Jeffrey Hubbell, Eugene Bell Professor of Tissue Engineering at IME, studies cancer immunotherapy, or ways to use the body’s immune system to find and fight cancer, and highlighted innovations in drug delivery systems for tumor suppression. Specifically, he discussed whether targeted therapies injected into the bloodstream could be as effective as treatments injected into tumors, with fewer adverse effects. Hubbell remarked, “We found that if we use targeted drugs, we have just as much efficacy, with less toxicity.” MSDE Editorial Board Member Pat Stayton discussed his group’s work on molecular engineering of macromolecular therapeutics.

Invited speakers Sarah Heilshorn, Jeffrey Hubell, John Rogers, Seth Darling, Patrick Stayton, and Chong Liu. (Photo credit: Randy Belice for the University of Chicago.) © Institute for Molecular Engineering at the University of Chicago.

Presentations on the environment included the work of Argonne National Laboratory’s Seth Darling on water technologies with functionalities ranging from energy transduction to pollution mitigation. Chong Liu, Assistant Professor at IME, also presented her research on water, which focuses on materials for electrochemical resource mining; this work is applicable to, for example, uranium extraction from seawater or heavy metals recovery from wastewater. During the “Molecular Engineering for Energy Research” session, Chaired by Boeing-Martin Professor of Chemical Engineering and Professor of Chemistry at the University of Washington and MSDE Editorial Board Member Samson Jenekhe, Christine Luscombe discussed her research on conducting polymers for wearable electronics. Christine, who is the Campbell Career Development Endowed Professor in the Department of Materials Science and Engineering and part of the Clean Energy Institute at the University of Washington, explained her work on how to design and build organic electronics that can be stretched while retaining the optical properties for energy capture solutions.

During the session on “Molecular Engineering of Soft Biological Assemblies,” Lawrence Livermore National Laboratory’s Chris Spadaccini spoke on additive manufacturing. Chinedum Osuji, who recently moved from Yale University to become Eduardo D. Glandt Presidential Professor in Chemical and Biomolecular Engineering at the University of Pennsylvania, presented self-assembled polymers and molecular materials with bespoke textures. MSDE Board Member Luke Connal from Australian National University presented his research using enzymes as the inspiration for designing and engineering catalysts.

Poster session and prizes

Conference programming also featured a poster session with work from more than 40 researchers from across the globe; held in the modern and spacious atrium of the IME, the poster session was an opportunity for attendees to showcase and discuss their research with one another and get to know their peers and seek advice from leading experts. From the myriad engaging discussions, attendees learned from one another and surely to come are many future collaborations and continued friendships. Vivek Sharma, an Assistant Professor of Chemical Engineering at the University of Illinois at Chicago, is interested in soft matter interfaces and rheology, the connection between the macroscopic behavior & applications and the physicochemical properties of the underlying molecular/macromolecular species. He was drawn to the meeting by the opportunity to attend cutting-edge research presentations by leading researchers while simultaneously witnessing how the molecular systems engineering approach is already impacting diverse scientific disciplines and quests.

Vivek Sharma discusses his research in soft matter and rheology with Chinedum Osuji during the poster session at the Frontiers of Molecular Engineering Symposium at the Institute for Molecular Engineering on September 27, 2018. (Photo credit: Anne Ryan) © Institute for Molecular Engineering at the University of Chicago.

Cecilia Leal discusses her research on microfluidic synthesis of cubosomes and cuboplexes with Sarah Heilshorn at the Frontiers of Molecular Engineering Symposium on September 27 2018. (Photo credit: Anne Ryan) © Institute for Molecular Engineering at the University of Chicago

Cecilia Leal is an Assistant Professor of Materials Science at the University of Illinois at Urbana-Champaign, studying cubosomes. She presented her research on microfluidic synthesis of cubosomes and cuboplexes, loaded with nucleic acid. She said the best part of the meeting was that there were plenty of opportunities to chat with colleagues and friends.


“The best part of the meeting was that there were plenty of opportunities to chat with colleagues and friends.”


On day two, three students each were recognized for their outstanding posters and received a $100 cash prize from MSDE . Ashley Guo, a fourth-year student at IME, was honored for her poster, “Understanding nucleosome dynamics using diffusion maps.” James Crawford from the Colorado School of Mines was recognized for his outstanding poster on “Deoxygenation of Unsaturated Linoleic Acid to Heptadecane over Zeolite Supported Pt/ZIF-67 Catalysts” and Hao Yanfrom Stanford University received a prize for his poster “Diamond meets molecules: Scientific opportunities with diamondoids.”

Highlights from the poster session and reception held in the atrium of the IME during the Frontiers of Molecular Engineering symposium on September 27 2018. (Photo credit: Randy Belice for the University of Chicago.) © Institute for Molecular Engineering at the University of Chicago

The Emerging Investigator Award

Prof. Juan de Pablo (at right) presented the first MSDE Emerging Investigator Award to Prof. Andrew Ferguson. (Photo credit: Randy Belice for the University of Chicago.) © Institute for Molecular Engineering at the University of Chicago

The second day also included the presentation of MSDE’s inaugural prize for best emerging investigator paper to Andrew Ferguson, Associate Professor of Molecular Engineering at IME. Ferguson was honored for his paper “Rational design of patchy colloids via landscape engineering.” The paper was part of athemed issue, which features work that showcases molecular engineering approaches from leading scientists in the earlier stages of their independent research careers. The 2018 Molecular Systems Design & Engineering Emerging Investigators were individually nominated by members of the journal Editorial and Advisory Boards in recognition of their potential to influence future directions in the field. The Board has been so impressed with Andrew that he was asked to join them, and is now one of the newest Editorial Board Members of MSDE.

Recognizing an emerging field

Matthew Tirrell, dean and founding Pritzker director of IME, said, “This conference demonstrates how the Institute for Molecular Engineering and the University of Chicago have become the epicenter of the emerging field of molecular engineering. This is where world-class researchers from across disciplines come to discuss advancements and promising research in the field.”

Matthew Tirrell, Director of the IME. (Photo credit: Randy Belice for the University of Chicago.) © Institute for Molecular Engineering at the University of Chicago.

Ryan Shafranek, a fourth-year chemistry PhD student from the University of Washington in attendance, summed up the symposium this way: “It was an informative and promising conference for the growing community surrounding molecular-level design.”


“This is where world-class researchers from across disciplines come to discuss advancements and promising research in the field.”


Frontiers of Molecular Engineering was co-organized by the Royal Society of Chemistry and the Institute for Molecular Engineering at the University of Chicago sponsored by Molecular Systems Design & Engineering, the Institution of Chemical Engineers, and the National Science Foundation. This article has been enhanced with adapted content from an original report, courtesy of theInstitute for Molecular Engineering at the University of Chicago.

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Outstanding Reviewers for Molecular Systems Design & Engineering in 2017

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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Celebrating International Women’s Day in MSDE

As part of International Women’s Day, we would like to take the opportunity to celebrate research led by women and published in Molecular Systems Design & Engineering. With a big thank you to these researchers, and to all women that have contributed to work published in the journal, we encourage you to read their excellent work!


  • Professor Heidi Mansour, University of Arizona, USA and Advisory Board member for Molecular Systems Design & Engineering

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

Solid-state respirable particle engineering design, physicochemical characterization, & in vitro aerosolization of advanced microparticulate/nanoparticulate dry powder inhalers targeting the lung Nrf2/Keap-1 pathway.

 


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

Various methods of deracemising mixtures of enantiomers are discussed that permit to isolate one of the enantiomers in essentially quantitative yield.

 


Activity-based assessment of an engineered hyperthermophilic protein as a capture agent in paper-based diagnostic tests
E. A. Miller, M. W. Traxlmayr, J. Shen and H. D. Sikes
Mol. Syst. Des. Eng., 2016, 1, 377-381
DOI: 10.1039/C6ME00032K

The minimalist protein scaffold rcSso7d is endowed with a non-native analyte-binding face and assessed as an alternative to antibodies in an in vitro point-of-care diagnostic test format.

Engineering affinity agents for the detection of hemi-methylated CpG sites in DNA
B. E. Tam, K. Sung and H. D. Sikes
Mol. Syst. Des. Eng., 2016, 1, 273-277
DOI: 10.1039/C6ME00073H

A methyl-binding domain protein was engineered to bind to hemi-methylated DNA and tested in a biochip-based methylation detection assay.

 


Molecular engineering of cyanine dyes to design a panchromatic response in co-sensitized dye-sensitized solar cells
Giulio Pepe, Jacqueline M. Cole, Paul G. Waddell and Scott McKechnie
Mol. Syst. Des. Eng., 2016, 1, 86-98
DOI: 10.1039/C6ME00014B

Cyanines are optically tunable dyes with high molar extinction coefficients, suitable for applications in co-sensitized dye-sensitized solar cells (DSCs); yet, barely thus applied.

Molecular engineering of fluorescein dyes as complementary absorbers in dye co-sensitized solar cells
Giulio Pepe, Jacqueline M. Cole, Paul G. Waddell and Joseph R. D. Griffiths
Mol. Syst. Des. Eng., 2016, 1, 402-415
DOI: 10.1039/C6ME00075D

Fluoresceins are molecularly engineered to extend their optical absorption to lower wavelengths, allowing their use in dye co-sensitized solar cells.

 

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

Rhodamines are analyzed to judge their suitability in dye sensitized solar cells, revealing their predominant auxiliary role with DSC-functional co-sensitizers.

 


Hierarchical design of synthetic gel composites optimized to mimic the impact energy dissipation response of brain tissue
Bo Qing and Krystyn J. Van Vliet
Mol. Syst. Des. Eng., 2016, 1, 290-300
DOI: 10.1039/C6ME00051G

Bilayered polymer design significantly enhances mechanical tunability, allowing the composite to replicate the impact energy dissipation response of brain tissue.

 


The construction and application of Markov state models for colloidal self-assembly process control
Xun Tang, Michael A. Bevan and Martha A. Grover
Mol. Syst. Des. Eng., 2017, 2, 78-88
DOI: 10.1039/C6ME00092D

Markov state models have been widely applied to study time sequential events in a variety of disciplines.

 


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 grand challenge in the field of structural biology is to design and engineer proteins that exhibit targeted functions.

 


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

A trend line method to facilitate the design of new block copolymer membranes, based on self-assembly and non-solvent induced phase separation is proposed.

 


Enabling method to design versatile biomaterial systems from colloidal building blocks
S. Saxena and L. A. Lyon
Mol. Syst. Des. Eng., 2016, 1, 189-201
DOI: 10.1039/C6ME00026F

Soft microgels, hard spheres, and live cells can be centrifuged with polyelectrolytes to develop complex biomaterial systems.

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Outstanding Reviewers for Molecular Systems Design & Engineering in 2016

Following the success of Peer Review Week in September 2016 (dedicated to reviewer recognition) during which we published a list of our top reviewers, we are delighted to announce that we will continue to recognise the contribution that our reviewers make to the journal by announcing our Outstanding Reviewers each year.

We would like to highlight the Outstanding Reviewers for Molecular Systems Design & Engineering in 2016, 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.

Professor Paul Low, University of Western Australia
Dr Paul Mathias, Fluor Corporation
Dr Sarim Dastgir, Qatar Environment & Energy Research Institute
Dr Laura De Laporte, Leibniz-Institut für Interaktive Materialien
Dr Vladan Mlinar, Brown University
Professor Alexander Shaplov, Russian Academy of Sciences
Dr Pasquale Stano, University of Salento
Dr Ivan Stoikov, Kazan Federal University
Dr Shen-Long Tsai, National Taiwan University of Science & Technology
Dr Timothy Vaden, Rowan University

We would also like to thank the Molecular Systems Design & Engineering board 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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Royal Society of Chemistry and ACS Publications commit to ORCID integration

Yesterday, the Royal Society of Chemistry and the American Chemical Society Publications Division, ACS Publications, both signed the ORCID Open Letter committing to unambiguous identification of all authors that publish in our journals.

The official press release can be found here: http://rsc.li/orcid

In brief, this partnership with ORCID will resolve ambiguity in researcher identification caused by name changes, cultural differences in name presentation, and the inconsistent use of name abbreviations, thereby ensuring their contributions are appropriately recognized and credited.


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Top 10 Reviewers for Mol. Syst. Des. Eng.

In celebration of Peer Review Week, with the theme of Recognition for Review, we would like to highlight the top 10 reviewers for Molecular Systems Design & Engineering in 2016, as selected by the editor for their significant contribution to the journal.

Top 10 Reviewers for Molecular Systems Design & Engineering:
– Dr Shen-Long Tsai – National Taiwan University of Science and Technology, Taiwan
– Dr Paul Mathias – Fluor, USA
– Dr Laura De Laporte – DWI, Germany
– Dr Ivan Stoikov – Kazan Federal University, Russia
– Dr Musharaf Ali – BARC, India
– Dr Sergey Borisov – Graz University of Technology, Austria
– Dr Vladan Mlinar – Brown University, USA
– Professor Alexander Shaplov – A.N. Nesmeyanov Institute of Organoelement Compounds , Russia
– Professor Edward Maginn – University of Notre Dame, USA
Dr Pasquale Stano – Roma Tre University, Italy

We would like to say a massive thank you to these reviewers as well as the Molecular Systems Design & Engineering board and all of the chemistry and engineering communities for their continued support of the journal, as authors, reviewers and readers.

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Computer program pins down carbon capturing ionic liquids

Scientists have developed a computer-aided method that designs carbon capturing ionic liquids and at the same time finds their optimal operating conditions.

Capturing and storing carbon dioxide decreases its global warming potential. Ionic liquids, salts that are liquid at room temperature, can trap large amounts of carbon dioxide. However, there are thousands of ionic liquids – their properties are dictated by their comprising anions and cations, and their ability to dissolve CO2 depends on temperature and pressure.

To read the full article please visit Chemistry World.

A systematic approach to design task-specific ionic liquids and their optimal operating conditions
Fah Keen Chong, Dominic C. Y. Foo, Fadwa T. Eljack, Mert Atilhan and Nishanth G. Chemmangattuvalappil
Mol. Syst. Des. Eng., 2016,1, 109-121
DOI: 10.1039/C5ME00013K, Paper

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