Archive for the ‘News’ Category

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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Issue 1 of Molecular Systems Design & Engineering

Issue 1 of Molecular Systems Design & Engineering is now published online, read it here.

The front covers feature work by Darling et al. and Mansour et al. Take a look inside for articles on molecular engineering for carbon capture, gene delivery, organic photovoltaics and more!

All articles published in Molecular Systems Design & Engineering in 2016 and 2017 are free-to-access for all. Access is automatic through registered institutions, or individuals can fill in this simple online form to create a free publishing personal account and obtain access to Molecular Systems Design & Engineering and a host of other free content from the Royal Society of Chemistry.

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First Advance Articles published

We are delighted to announce publication of the first Advance Articles in Molecular Systems Design & Engineering. Some of the first articles in the journal include:

Capture and immobilisation of iodine (I2) utilising polymer-based ZIF-8 nanocomposite membranes
E. M. Mahdi, Abhijeet K. Chaudhuri and Jin-Chong Tan
Paper

Polymer nanocomposites made up of nanoporous metal–organic frameworks (MOFs) are fast becoming a staple of next generation hybrid composites, and are currently being intensely developed for gas capture and separation.

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
Paper

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.

Charge generation in organic photovoltaics: a review of theory and computation
Kenley M. Pelzer and Seth B. Darling
Review

One of the most important factors in determining organic photovoltaic device performance is the efficiency of exciton dissociation and charge separation at donor/acceptor heterojunctions. This review discusses theoretical and computational approaches to modeling this crucial process of charge generation.

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
Paper

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.

Sign up to our e-alerts for the latest content.

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Juan de Pablo on molecular engineering

Juan de Pablo

Chemistry World has spoken to Molecular Systems Design & Engineering‘s Editorial Board Chair Professor Juan de Pablo about the evolution and potential of molecular engineering. He argues that the field is about to explode due to newly gained knowledge and alternative modes of researcher organisation and collaboration.

Read the full article here.

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Sign up for the Molecular Systems Design & Engineering Email Alerts

email alerts

The Molecular Systems Design & Engineering Email Alerts are a great way to find out about all the latest news and content from the journal.

We’ll let you know as soon as our first advanced articles are published, as well as other important developments, so be sure to sign up now.

Table of contents alerts for the latest issue of the journal will begin once we have published our first issue.

Don’t forget you can also follow us on Twitter to keep fully up to date.

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Submit now to make the first issue of Molecular Systems Design & Engineering

Issue 1 of Molecular Systems Design & Engineering is due to be published in 2016.

Make sure you have the chance to be included – submit now so that we can consider your work for the inaugral issue.

Submit

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