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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ChemEngDayUK 2017

ChemEngDayUK 2017 will take place from 27-28 March 2017 at Birmingham University and will welcome UK Chemical Engineering academics, industry partners and international guests, to discuss developments and innovations towards a more sustainable future.

The conference will bring together researchers, engineers and scientists from around the UK to explore the latest technological advances and research results in core areas of chemical engineering.

Through a combination of a distinguished plenary speakers, parallel technical sessions with invited talks by leading experts from academia and industry, and interactive poster sessions, participants will showcase their research efforts and technologies, and share visions with researchers in the UK.

Key speakers include:

  • Lynn Gladden (University of Cambridge, UK)
  • David Mooney (Harvard University, USA)
  • Ian Noble (Mondelez R&D, UK)
  • Nigel Brendon (Imperial College, UK)
  • Chris Hardacre (University of Manchester, UK)
  • Steven M Howdle (University of Nottingham, UK)
  • Omar Matar (Imperial College, UK)
  • Nigel Titchener-Hooker (University College London, UK)
  • David York (University of Leeds, UK)

As the supernumerary of the ChemEngDayUK 2017, the University of Birmingham will hold a one-day event UK Particle Technology Forum 2017 on 29th March, on behalf of IChemE Particle Technology Special Interest Group (PTSIG), to bring together early career researchers to discuss the challenges and opportunities for Particle Technology.

For more details and to register for the UK Particle Technology Forum 2017, please visit the events page.

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The 11th International Congress on Engineered Material Platforms for Novel Wave Phenomena

The Eleventh International Congress on Engineered Material Platforms for Novel Wave Phenomena – Metamaterials’2017, will comprise a 4-day Conference (28–31 August), and a 2-day Doctoral School (1–2 September).

Organized by the METAMORPHOSE VI AISBL and hosted by the Institut Fresnel of Marseille, this Congress follows the success of Metamaterials 2007-2016 and continues the traditions of the highly successful series of International Conferences on Complex Media and Metamaterials (Bianisotropics) and Rome International Workshops on Metamaterials and Special Materials for Electromagnetic Applications and Telecommunications.

The Congress will provide a unique topical forum to share the latest results of the metamaterials research in Europe and worldwide and bring together the engineering, physics, applied mathematics and material science communities working on artificial materials and their applications from microwaves to optical frequencies, as well as in acoustics, mechanics, hydrodynamics and thermodynamics.

The submission deadline is 5 March 2017 – apply here today!

For more information, including the committee lists and topics to be covered, please visit the Congress website.

 

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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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ICMAT 2017: 9th International Conference on Materials for Advanced Technologies

The Molecular Systems Design & Engineering team is proud to announce our sponsorship of the upcoming Materials Research Society of Singapore event ICMAT 2017: 9th International Conference on Materials for Advanced Technologies, which will be taking place on 18–23 June 2017 at Suntec Singapore.

At ICMAT 2017 there will be 29 Symposia covering contemporary topics of importance for the science, engineering and technology of materials. The meeting will be a multidisciplinary forum providing over 2,000 research scientists and engineers a first-hand learning platform, as well as the opportunity to share and exchange ideas with some of the best minds in the field.

Abstract submission closes on 27 January

In addition to public lectures from Nobel laureates Hiroshi Amano (Physics, 2014) and Andre Geim (Physics, 2010), there will be plenary lectures from:

  • Hiroshi Amano (Nagoya University, Japan)
  • Andre Geim (University of Manchester, UK)
  • C. N. R. Rao (Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India)
  • George Whitesides (Harvard University, USA)
  • Zhenan Bao (Stanford University, USA)
  • Yury Gogotsi (Drexel University, USA)
  • Ben Zhong Tang (Hong Kong University of Science & Technology, China)
  • Qi-Kun Xue (Tsinghua University, China)

Registration opens 10 February!

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European Materials Research Society 2017 Spring Meeting

The 2017 E-MRS Spring Meeting and Exhibit will be held in the extended and modernized Convention Centre of Strasbourg (France), from May 22 to 26, 2017.

The conference will consist of 26 parallel symposia with invited speakers, oral and poster presentations and a plenary session to provide an international forum for discussing recent advances in the field of materials science. The conference will be augmented by an exhibition of products and services of interest to the conference participants.

In particular, Semiconductors Symposium M, Novel transport phenomena in organic electronic devices: heat, spin and thermoelectricity, will review our physical understanding of such processes and the state-of-the-art for devices.

Abstract submission closes on 18 January – submit yours today!

Invited speakers for this symposium:

  • Sir Richard Friend (University of Cambridge, UK)
  • Zhigang Shuai (Tsinghua University, China)
  • Valy Vardeny (University of Utah, USA)
  • Mariano Campoy-Quiles (ICMAB, Spain)
  • Henning Sirringhaus (University of Cambridge, UK)
  • Peter Bobbert (TU Eindhoven, Netherlands)
  • (TBC) Rachel Segalman (UCSB, USA)
  • Stefano Sanvito (Trinity College Dublin, Ireland)
  • Xavier Crispin (Linköping University, Sweden)
  • Martijn Kemerink (Linköping University, Sweden)
  • Alek Dediu (CNR Bologna, Italy)
  • Jairo Sinova (Johannes Gutenberg University, Germany)

For more information, including the Scientific Committee and hot topics to be covered, please see the symposium page on the MRS 2017 website.

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Asia-Pacific Hybrid and Organic Photovoltaics Conference 2017

We are delighted to announce that Molecular Systems Design & Engineering will be sponsoring the 2017 Asia-Pacific Hybrid and Organic Photovoltaics Conference (AP-HOPV17), to be held at Yokohama, Japan on 3–4 February 2017.

Organised by Chair Tsutomo Miyasaka (Toin University of Yokohama, Japan) and co-Chairs Hiroshi Segawa (University of Tokyo, Japan) and Ivan Mora-Seró (Universitat Jaume I, Spain) and building upon the success of previous HOPV conferences, AP-HOPV17 will provide an excellent opportunity for scientists and engineers worldwide to exchange information and discussions on the latest developments in photovoltaics.

Poster abstract submission deadline: 9 January 2017

Invited speakers include:

  • (Keynote) Martin Green, University of New South Wales, Australia
  • (Keynote) Anders Hagfeldt, EPFL, Switzerland
  • Chris Case, Oxford PV Ltd, UK
  • Yi-Bing Cheng, Monash University, Australia
  • James Durrant, Imperial College London, UK
  • Liyuan Han, National Institute for Materials Science, Japan
  • Jenny Nelson, Imperial College London, UK
  • Nam-Gyu Park, Sunkyunwan University, Korea
  • Sang Il Seok, UNIST, Korea
  • Tze-Chien Sum, Nanyang Technological University, Singapore
  • Koichi Yamashita, University of Tokyo, Japan
  • Kai Zhu, National Renewable Energy Laboratory, USA
  • Atsushi Wakamiya, Institute for Chemical Research, Kyoto University, Japan
  • Peter C. Y. Chen, National Cheng Kung University, Taiwan
  • Annamaria Petrozza, Istituto Italiano de Tecnologia, Italy
  • Qing Shen, University of Electrocommunications, Japan
  • Elizabeth von Hauff, Amsterdam University, The Netherlands
  • Yanfa Yan, University of Toledo, USA

 

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Congratulations to the ANNIC 2016 award winners!

We are delighted to announce the winners of prizes sponsored by Molecular Systems Design & Engineering awarded at the ANNIC 2016 conference, recently held in Barcelona, Spain.

  • The outstanding ANNIC 2016 abstract was awarded to Prof. Won-Gun Koh from Yonsei University, Korea for the abstract “Hydrogel Micropattern Incorporating Nanostructures for Fluorescence-based Biosensing”
  • The best ANNIC 2016 student abstract was awarded to Mr Armandas Balcytis from the Swinburne University of Technology, Australia for the abstract “Mode control in SOI microring resonators through sub-wavelength modifications”
  • The best ANNIC 2016 poster presentation was awarded to Dr Sergey Dubkov from the National Research University of Electronic Technology, Russia for the abstract “CVD-growth of MWCNT arrays on Me-Ct-N-(O) thin films”

Please join us in congratulating Prof. Koh, Mr Balcytis and Dr Dubkov! The winners’ abstracts can be read in the ANNIC 2016 Book of Abstracts, available from the conference website.

ANNIC 2016 General Chair Prof. Joan Ramon Morante of the Catalonia Institute for Energy Research (IREC) presenting the awards to (left) Prof. Won-Gun Koh, (centre) Mr Armandas Balcytis and (right) Dr Sergey Dubkov

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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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