RSC Advances Editors’ Collections

Have you been enjoying our monthly Editors’ Collections? We’ve certainly loved putting them together! Each collection is curated by one of our expert Associate Editors, focuses on a specific topic and includes lots of great articles from RSC Advances.

In case you’ve missed any, we have collected all of our Editors’ collections over the last year in one place.

If you would like to submit your work to any of these collections, please contact the Editorial Office – we invite you to submit your research to these collection and give your work the global visibility it deserves

Environmental chemistry: Pollution control

This collection, guest-edited by RSC Advances Associate Editor Professor Feng Zhao (Institute of Urban Environment, Chinese Academy of Sciences) features articles on the theme ‘pollution control’, illustrating the notability, quality and variety of publications in RSC Advances. These articles are already among the most highly cited research articles in the journal, illustrating their impact. Subject areas include absorptive materials, photocatalytic materials, bio-magnetic membranes and method development.

Ferroelectric and multiferroic materials

In this collection, guest edited by RSC Advances Associate Editor Dr Donna Arnold (University of Kent), we look at some of the contributions to the fields of multiferroic and ferroelectric materials published in the journal. The articles featured here focus on experimental studies of inorganic solid-state ceramics and thin films (including heterostructures and devices). The collection showcases the significance of not only the search for new materials with enhanced properties but also the importance of understanding the structure-property correlations in both powders and films as well as demonstrating their application in environments closer to commercial use. These articles demonstrate the continued growth of these areas as we strive towards next generation devices based on ferroelectric and multiferroic materials.

 

Ferroelectric and multiferroic materials continue to attract extensive attention within the literature due to the potential of these materials to have an increased impact in our everyday lives. Research covers a whole plethora of chemistry and physics from the search for Pb-free ferroelectrics and new energy storage materials to demonstration of real-world device applications based on inorganic and/or organic materials including experimental and computational studies.

Fluorine chemistry in medicinal chemistry and chemical biology

This collection, guest-edited by RSC Advances Editorial Board member Professor Norio Shibata (Nagoya Institute of Technology), features articles published in the journal on fluorine chemistry related to medicinal chemistry and chemical biology.

Organofluorine compounds are revealed in the extensive use of key materials in diverse industrial areas of pharmaceuticals, agrochemicals, specialty materials, and polymers. In particular, the high demand for organofluorine compounds on the drug market has been evidenced by the sharp increase in the number of fluoro-pharmaceuticals approved each year. Fluorine-related papers published in the journal span over various research fields, including synthetic methodology, medicinal chemistry, chemical biology, and materials science.

Supramolecular polymers

Sebastien Ulrich RSC Advances Associate EditorThis collection, guest-edited by RSC Advances Associate Editor Dr Sébastien Ulrich (CNRS, Université de Montpellier), features articles published in the journal on the topic of Supramolecular Polymers. Supramolecular polymers results from the poly-association of molecules through non-covalent interactions. Uniquely and because they are self-assembled through reversible linkages, these materials are dynamic and can therefore adapt to different conditions and respond to different stimuli. Although supramolecular polymers were first seen as a lab curiosity, they have now demonstrated their utility in a wide range of applications from material to biological sciences. Recent breakthroughs such as the discovery of living supramolecular polymerization make the field very active and opens up exciting new opportunities.

The collection of selected articles witnesses this blooming activity, by reporting on i) the design of new molecular building blocks that impart new structures and functions, ii) the expansion to new types of self-assembly processes, which affect the dynamic feature of the corresponding adaptive materials, iii) our understanding, modelling and characterization of the mechanism of self-assembly, and iv) on the application of these smart systems in a wide range of area from biomedicine to material science.

Food Engineering, science, technology, and nutrition

Angela Meireles. RSC Advances Associate Editor RSCGuest-edited by RSC Advances Associate Editor Professor Maria Angela A. Meireles, this collection features research with the area of food engineering, science, technology, and nutrition, illustrating the multidisciplinary aspects of this field that produces exciting research.

The collection shows a fascinating relationship between the various fields involved in the subject area of food. From articles that deal with the cultivation, livestock, etc. to articles dealing with the effects of metabolites in the human gut microbiota including articles on new sources of fibers and other bioactive compounds.

Physical chemistry of colloids and interfaces

Guest-edited by RSC Advances Associate Editor Dr Juan J. Giner-Casares, this collection features exciting research with the core in physical chemistry of interfaces, illustrating a vibrant field that in itself produces stimulating research.

The physical chemistry of colloids and interfaces is enjoying a fruitful interaction with a vast number of fields; joint ventures with the biomedical discipline constitute undoubtedly a prominent topic, in which chemical and biomedical researchers highly benefit from each other. There are also many other subjects that profit from interactions with physical chemistry.

Antimicrobial polymers

Roberto Rosal, RSC Advances Associate Editor, Antimicrobial polymersGuest-edited by RSC Advances Associate Editor Professor Roberto Rosal, this collection features remarkable contributions on antimicrobial polymers published in the journal and aims to highlight recent work published on the design, characterization, and efficiency of antimicrobial polymers.

Antimicrobial polymers are materials aimed at inhibiting or killing different types of microorganisms. The importance of developing new antimicrobial substances and materials arises from the health problem posed by multidrug-resistant microbes.

This set of articles describes some recent developments on the use of different types of antimicrobial polymers. They include antimicrobial nanomaterials, antimicrobial fibres and surfaces and drug-delivery systems with a focus on potentially pathogenic bacterial strains.

 Photodynamic therapy

Fabienne Dumoulin, RSC Advances Associate Editor, Royal Society of ChemistryThis collection, guest-edited by Associate Editor Dr Fabienne Dumoulin (Gebze Technical University), features articles published in the journal from 2018 on photodynamic therapy that comprise biological experiments. As an alternative therapeutic modality, recognised as an efficient way to treat not only several cancers but also infections, it has inspired the development of different treatment strategies.

The collection reflects the variety of photosensitising systems, and the significant amount of nanophotosensitisers, including carbon nanomaterials. Various targeted approaches are being developed; theranostics are significantly expanding, as well as synergistic effects and specific activation in the tumour microenvironment. Related photothermal and sonodynamic therapies, even at less mature development stages, have proved their efficiency. Photochemical internalisation is also an excellent means to improve drug delivery and drug efficiency. Photodynamic therapy is undoubtedly a valuable way to save lives, and this collection aims at highlighting its achievements and promises.

Carbon Dioxide Capture/Reduction

This collection is edited by Associate Editor Professor Carlos D. Garcia (Clemson University) and contains selected Reviews, Communications and full Papers published since 2018. The collection features the most remarkable contributions published in the journal and aims to highlight recent work published and raise awareness of the most current strategies to mitigate the impact of CO2 on the atmosphere.

These articles describe strategies to either promote the capture of CO2 or its reduction to yield organic compounds of higher value (methane, methanol, carbon monoxide, and short-chain organic acids). Although most of these articles describe clever chemical reactivity, their main focus ranges from biomimetic approaches to electrochemistry and photocatalysis.

RSC Advances Royal Society of ChemistrySubmit to RSC Advances today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

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RSC Advances Science Communications: Photothermally triggered nanoplatform based on IR780-encapsulated PLGA nanoparticles – A plausible remedy for breast cancer metastasis to bones

Author: Ayan Kumar Barui, Web Writer

Among different types of malignant diseases, breast cancer is the most prevalent one among women throughout the world. Breast cancer patients often face bone metastasis at middle and late stages of malignancies, causing various skeletal diseases (e.g. bone loss, extreme pain, hypercalcaemia, pathological fracture etc) as well as mortality. The conventional therapies for breast cancer metastasis to bone include surgery and chemotherapy, which involve several limitations. For instance, surgery is not suitable for eliminating poorly defined and small metastases. Then again, chemotherapy is associated with adverse toxicity, side effects, drug resistance, tumour recurrence, tumour targeting issue etc. Therefore, it is urgently required to develop some alternative approaches for the treatment of breast cancer and associated bone metastasis by solving the aforementioned limitations. In this context, nanomedicine might play a pivotal role, considering its potent biomedical applications in drug delivery, radiotherapy, gene therapy and photothermal therapy (PTT) to treat different types of cancers. Of late, near-infrared (NIR) laser light-based PTT involving biocompatible nanomaterials has been immense popular, due to the minimized invasiveness approach with enhanced safeguarding of adjacent tissues and potent anti-cancer efficiency, by producing high temperature in tumour tissues locally upon absorbance of light, ultimately leading to cancer cell death in a targeted manner. Even though, PTT has been widely studied for the treatment of superficial tumours, there is scarcity of reports related to its application for the therapy of deep tumors including bone metastasis of breast cancer.

In this scenario, Wang and co-workers have recently developed an NIR-triggered nanoplatform based on IR780 (NIR absorber)-encapsulated biocompatible poly-lactide-co-glycolide (PLGA) nanoparticles (IR780@PLGA NPs) and investigated its PTT potential for the treatment of bone metastasis of breast cancer. The researchers established a bone metastasis model of tumours in BALB/c mice by inoculating 4T1 cells (mice breast cancer cells) into right tibia of mice through intraosseous infusion. The intra-tumoural administration of IR780@PLGA NPs to the tumor containing mice in presence of NIR light exhibited better tumor growth inhibition than the PBS control group and IR780@PLGA NPs group without NIR radiation, suggesting that the nanoplatform could effectively suppress the breast cancer cell metastasis to bone through PTT. Additionally, histopathology study revealed that tumor containing legs administered with IR780@PLGA NPs and NIR light illustrated less damage of bone and more number of healthy tissues around it as compared to the control groups. Overall, the study provides the basis for potent clinical application of IR780@PLGA NPs-based PTT for the treatment of bone metastasis of breast cancer in near future.

Reference

Near-infrared-induced IR780-loaded PLGA nanoparticles for photothermal therapy to treat breast cancer metastasis in bones, Li et al., RSC Adv., 2019, 9, 35976-35983

About the Web Writer:

Dr. Ayan Kumar Barui received his Ph.D. degree from CSIR-Indian Institute of Chemical Technology (CSIR-IICT), India in 2017. Then he worked as a postdoctoral research associate in Ulsan National Institute of Science and Technology (UNIST), South Korea for more than two years. Currently, he is associated with an R&D institute based in India. His research focuses on the development of nano/bio-materials for pro- and anti-angiogenic therapy, targeted drug delivery, cancer therapy, vascular disease therapy, wound healing, and bio-imaging. He possesses 37 peer-reviewed international publications and several international conference awards. He is recognized as a member (MRSC) of the prestigious Royal Society of Chemistry (RSC), UK. He also serves as an invited reviewer for various international journals including Nanoscale, Biomaterials Science, Journal of Materials Chemistry B, Materials Science and Engineering C, RSC Advances, Food & Function etc.

You can find him on Twitter @AYANBARUI

 

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RSC Advances HOT articles – a feature interview with He Dong

We are very pleased to introduce He Dong, the corresponding author of the paper Modular design and self-assembly of multidomain peptides towards cytocompatible supramolecular cell penetrating nanofibers. Her article has been very well received and handpicked by our reviewers and handling editors as one of our September HOT articles.  He Dong was kind enough to tell us more about the work that went into this article and what she hopes to achieve in the future. You can find out more about the author and their article below and find more HOT articles in our online collection.

Meet the Author

He Dong obtained her PhD degree in organic chemistry at Rice University in 2008. After postdoc work at Emory University and the University of California at Berkeley, she started her independent career in the Department of Chemistry and Biomolecular Science at Clarkson University in 2012. She joined the Department of Chemistry and Biochemistry at the University of Texas at Arlington in 2018. Her research is focused on biomimetic design and supramolecular assembly of soft matter nanomaterials for anticancer and antimicrobial therapy development. She received a NSF Faculty Early Career Award for her work on the design and self-assembly of antimicrobial peptides. Recently, she was named as an Emerging Investigator of Journal of Materials Chemistry for the development of stimuli-responsive cell penetrating nanomaterials.

 

 

 

Dong Group

Graduate students Weike Chen (1st from the left), Ryan Madigan (2nd from the Left), Su Yang (2nd from the right) and Dr. He Dong (1st from the right) at the UTA Science & Engineering Innovation & Research Building.

Project defense of a high school student, Sidney Wang (2nd from the left) who was selected for research experiences of 2019 Welch Summer Scholar Program. Sidney’s project is to study the fundamental physicochemical property of supramolecular peptide nanofibers. Sidney’s mother (1st from the left), undergraduate student, Samuel Gardner (1st from the right) and Dr. Dong (2nd from the right) attended her defense.

Could you briefly explain the focus of your article to the non-specialist (in one or two sentences only) and why it is of current interest?
The efficacy of chemotherapy or gene therapy, in large part, depends on the ability of chemotherapeutics or genetic materials to cross the cell membrane to reach the cytoplasm. Designing nanomaterials that can facilitate intracellular delivery of therapeutics to the cytosol is of great interests from both fundamental research and practical point of view. This work is focused on a supramolecular approach for the design, and synthesis of supramolecular cell penetrating nanofibers (SCPNs) which have potent membrane activity and excellent cytocompatibility for intracellular delivery of therapeutics and/or imaging agents.

How big an impact could your results potentially have?
The success of the project will substantially advance our ability to develop peptide-based cell penetrating nanomaterials for a range of biomedical applications which required the delivery of therapeutics inside the cell. The range of molecular and supramolecular chemistry developed in this project will lead to a comprehensive fundamental understanding of the structure-activity relationship beyond the molecular level. The acquired knowledge will help build up a solid foundation for the rational design of supramolecular nanostructured materials, in particular nanofiber-based materials for other applications, not limited to drug/gene delivery in the biological arena. They can be potential used for vaccine delivery and antimicrobial materials design and development, all of which require potent cell penetrating activity.

Could you explain the motivation behind this study?
The discovery of cell penetrating peptides (CPPs) has great impacts on both fundamental and translational biomedical research due to their seemingly at will ability to transverse the cell membrane. However, most natural and synthetic CPPs suffer from poor stability against proteolysis and rapid in vivo clearance. Peptide self-assembly offers an effective method to generate supramolecular nanomaterials with improved stability, dynamic nanostructure and biological activity. In particular, the high aspect ratio peptide nanofibers showed good in vivo stability and have been extensively studied as functional scaffolds and for a variety of in vivo biomedical applications. Inspired by both natural CPPs and fibrous peptides, we build a novel class of supramolecular cell penetrating nanofibers (SCPNs) through the self-assembly of integrated cationic -sheet forming peptides to overcome the intrinsic limitation of traditional CPPs while having potent cell penetrating activity and minimum cytotoxicity.

In your opinion, what are the key design considerations for your study?
The key design considerations are on the modular design and self-assembly of MDPs to afford supramolecular assemblies with tunable nanostructure morphology and cationic domain conformational flexibility. The combined supramolecular structures and conformational flexibility of the cationic domain play dual roles in mediating the cell penetrating activity and therefore drug delivery efficacy.

Which part of the work towards this paper proved to be most challenging?
Understanding the correlation between structure and cell penetrating activity requires detailed structural characterization on both the molecular and supramolecular level. The biggest challenges that we overcome is the elucidation of the solution self-assembly states adopted by different supramolecular assemblies and further their structure-dependent membrane activity.

What aspect of your work are you most excited about at the moment?
From the fundamental self-assembly point of view, the work is novel and significant as it established a general peptide self-assembly mechanism by which SPCNs can be generated and optimized for both nanostructures and cell penetrating activity. From a broader viewpoint of biomedical application, these MDPs can be readily modified with various chemical functionalities, particular those served as stimuli-responsive chemical linkers that can respond to a range of disease-specific microenvironment to turn on/off the cell penetrating activity. Such efforts would be greatly beneficial for the development of smart SPCNs as disease-specific molecular therapy and imaging agents.

What is the next step? What work is planned?
The current work laid solid foundation for the synthesis of tumor microenvironment (such as pH, enzymes, ROS or hypoxia) responsive SCPNs which have tumor-specific cell penetrating activity. These “smart” tumor-responsive SCPNs would be great candidates to test the in vivo stability, targeting efficacy and overall therapeutic efficacy of SCPNs.

 

Modular design and self-assembly of multidomain peptides towards cytocompatible supramolecular cell penetrating nanofibers
Su Yang and He Dong
RSC Adv., 2020,10, 29469-29474
DOI: 10.1039/D0RA04748A, Paper

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September 2020 Reviews

Every month we update our Recent Reviews collection. This rolling collection showcases all of the review articles published in RSC Advances in the last 6 months. Don’t forget to come back next month to check out our latest reviews.

We hope you enjoy reading and as always, all of our articles are open access so you can easily share your favourites online and with your colleagues.

Check out the full collection!

Browse a selection of our September reviews below:

Regio- and stereoselective intermolecular carbolithiation reactions
G. Marsico, P. Scafato, S. Belviso and S. Superchi
RSC Adv., 2020, 10, 32581-32601
DOI: 10.1039/D0RA06101H

One-pot construction of carbohydrate scaffolds mediated by metal catalysts
Mana Mohan Mukherjee, Sajal Kumar Maity and Rina Ghosh
RSC Adv., 2020, 10, 32450-32475
DOI: 10.1039/D0RA05355D

Recent progress to construct calixarene-based polymers using covalent bonds: synthesis and applications
Reza Zadmard, Fahimeh Hokmabadi, Mohammad Reza Jalali and Ali Akbarzadeh
RSC Adv., 2020, 10, 32690-32722
DOI: 10.1039/D0RA05707J

Recent progress in porphyrin- and phthalocyanine-containing perovskite solar cells
Yutaka Matsuo, Keisuke Ogumi, Il Jeon, Huan Wang and Takafumi Nakagawa
RSC Adv., 2020, 10, 32678-32689
DOI: 10.1039/D0RA03234D

Furo[3,2-c]coumarins carrying carbon substituents at C-2 and/or C-3. Isolation, biological activity, synthesis and reaction mechanisms
Iván Cortés, L. Javier Cala, Andrea B. J. Bracca and Teodoro S. Kaufman
RSC Adv., 2020, 10, 33344-33377
DOI: 10.1039/D0RA06930B

Graphitic carbon nitride nanotubes: a new material for emerging applications
Oleksandr Stroyuk, Oleksandra Raievska and Dietrich R. T. Zahn
RSC Adv., 2020, 10, 34059-34087
DOI: 10.1039/D0RA05580H

In vivo and in vitro studies of antisense oligonucleotides – a review
Anna Kilanowska and Sylwia Studzińska
RSC Adv., 2020, 10, 34501-34516
DOI: 10.1039/D0RA04978F

 

RSC Advances Royal Society of ChemistrySubmit to RSC Advances today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

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September HOT Articles

Every month we update our RSC Advances HOT Article Collection. This rolling collection features all of the articles selected by our reviewers and handling editors as HOT in the last 6 months. Don’t forget to come back next month to check out our latest HOT articles.

We hope you enjoy reading and as always, all of our articles are open access so you can easily share your favourites online and with your colleagues.

Check out the full collection!

Browse our September HOT articles below:

Pharmacoinformatics approaches to identify potential hits against tetraacyldisaccharide 4′-kinase (LpxK) of Pseudomonas aeruginosa
Manoj G. Damale, Shahebaaz K. Pathan, Rajesh B. Patil and Jaiprakash N. Sangshetti
RSC Adv., 2020, 10, 32856-32874
DOI: 10.1039/D0RA06675C

Molecular crowding induces primer extension by RNA polymerase through base stacking beyond Watson–Crick rules
Shuntaro Takahashi, Hiromichi Okura, Pallavi Chilka, Saptarshi Ghosha and Naoki Sugimoto
RSC Adv., 2020, 10, 33052-33058
DOI: 10.1039/D0RA06502A

One-pot synthesis of indoles and quinolinones from ortho-tosylaminophenyl-substituted para-quinone methides
Junwei Wang, Xiang Pan, Quanjin Rong, Lei Zhao, Lin Zhao, Weichen Dai, Kun Zhao and Lihong Hu
RSC Adv., 2020, 10, 33455-33460
DOI: 10.1039/D0RA05497F

NaBH4 induces a high ratio of Ni3+/Ni2+ boosting OER activity of the NiFe LDH electrocatalyst
Yaqiong Wang, Shi Tao, He Lin, Shaobo Han, Wenhua Zhong, Yangshan Xie, Jue Hu and Shihe Yang
RSC Adv., 2020, 10, 33475-33482
DOI: 10.1039/D0RA06617F

Quinazoline-Schiff base conjugates: in silico study and ADMET predictions as multi-target inhibitors of coronavirus (SARS-CoV-2) proteins
Mostafa A. Mansour, Asmaa M. AboulMagd and Hamdy M. Abdel-Rahman
RSC Adv., 2020, 10, 34033-34045
DOI: 10.1039/D0RA06424F

Mechanistic understanding of humin formation in the conversion of glucose and fructose to 5-hydroxymethylfurfural in [BMIM]Cl ionic liquid
Zhanwei Xu, Yiwen Yang, Peifang Yan, Zhi Xia, Xuebin Liu and Z. Conrad Zhang
RSC Adv., 2020, 10, 34732-34737
DOI: 10.1039/D0RA05641C

P-stereocontrolled synthesis of oligo(nucleoside N3′→O5′ phosphoramidothioate)s – opportunities and limitations
Ewa Radzikowska, Renata Kaczmarek, Dariusz Korczyński, Agnieszka Krakowiak, Barbara Mikołajczyk, Janina Baraniak, Piotr Guga, Kraig A. Wheeler, Tomasz Pawlak and Barbara Nawrot
RSC Adv., 2020, 10, 35185-35197
DOI: 10.1039/D0RA04987E

Several coumarin derivatives and their Pd(ii) complexes as potential inhibitors of the main protease of SARS-CoV-2, an in silico approach
Dejan A. Milenković, Dušan S. Dimić, Edina H. Avdović and Zoran S. Marković
RSC Adv., 2020, 10, 35099-35108
DOI: 10.1039/D0RA07062A

Synthesis and biological activities of novel trifluoromethylpyridine amide derivatives containing sulfur moieties
S. X. Guo, F. He, A. L. Dai, R. F. Zhang, S. H. Chen and J. Wu
RSC Adv., 2020, 10, 35658-35670
DOI: 10.1039/D0RA07301F

Design and optimization of a subunit vaccine targeting COVID-19 molecular shreds using an immunoinformatics framework
Neeraj Kumar, Damini Sood and Ramesh Chandra
RSC Adv., 2020, 10, 35856-35872
DOI: 10.1039/D0RA06849G

 

RSC Advances Royal Society of ChemistrySubmit to RSC Advances today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

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Welcome to our new Editorial Board member: Charlotta Turner

We are delighted to welcome Professor Charlotta Turner to the RSC Advances team!

 

Charlotta Turner_ RSC Advances Editorial Board Member

Charlotta Turner is a Professor in Analytical Chemistry at Lund University in Sweden. Her research is interdisciplinary, including analytical chemistry, supercritical fluid technology, and sustainable development aspects. She has more than 20 years of experience on the fundamentals of supercritical fluids in separation processes. Her current research focus is on the development of fast, selective, and bias-free separation methods using carbon dioxide expanded green solvents. An important inspiration is the enhanced use of biomass and industrial byproducts as sources of high-value compounds for use in food, health and environmental applications.

Charlotta Turner has published over 100 scientific articles, review papers and book chapters. She has received the Swedish King Carl XVI Gustaf’s award for environmental science (2005), the SSF Ingvar Carlsson Award for returning postdocs (2006), the AOCS Herbert J. Dutton Award for her work on lipid analysis (2015) and the Svante Arrhenius Award for her work on green and sustainable chemistry (2017). She is also awarded with Excellent Teacher Practitioner (ETP, 2017). Charlotta Turner is the chair of the Analytical Chemistry Division of the Swedish Chemical Society, the chair of Lund University Food Faculty, and also a member of the Royal Engineering Science Academy (IVA) and the Royal Physiographic Society of Lund.

 

Browse a selection of Charlotta’s RSC publications:

Extending the design space in solvent extraction – from supercritical fluids to pressurized liquids using carbon dioxide, ethanol, ethyl lactate, and water in a wide range of proportions
Veronika Pilařová, Said Al Hamimi, Larissa P. Cunico, Lucie Nováková and Charlotta Turner
Green Chem., 2019, 21, 5427-5436
DOI: 10.1039/C9GC02140J

Black pepper-based beverage induced appetite-suppressing effects without altering postprandial glycaemia, gut and thyroid hormones or gastrointestinal well-being: a randomized crossover study in healthy subjects
Yoghatama Cindya Zanzer, Merichel Plaza, Anestis Dougkas, Charlotta Turner and Elin Östman
Food Funct., 2018, 9, 2774-2786
DOI: 10.1039/C7FO01715D

Evaluation and analysis of environmentally sustainable methodologies for extraction of betulin from birch bark with a focus on industrial feasibility
Mikael E. Fridén, Firas Jumaah, Christer Gustavsson, Martin Enmark, Torgny Fornstedt, Charlotta Turner, Per J. R. Sjöberg and Jörgen Samuelsson
Green Chem., 2016, 18, 516-523
DOI: 10.1039/C5GC00519A
 

RSC Advances Royal Society of ChemistrySubmit to RSC Advances today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

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RSC Advances HOT articles – a feature interview with Rajendra Joshi

We are very pleased to introduce Rajendra Joshi and the team of authors of the paper ‘Remdesivir-bound and ligand-free simulations reveal the probable mechanism of inhibiting the RNA dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2‘. Their article has been very well received and handpicked by our reviewers and handling editors as one of our HOT articles. The team told us more about the work that went into this article and what they hope to achieve in the future. You can find out more about the authors and their article below and find more HOT articles in our online collection.

About Dr Rajendra Joshi

Dr. Rajendra Joshi received his Ph.D. in Biochemistry from National Chemical Laboratory, Pune, India in 1994. He has been associated with the area of Biotechnology & Bioinformatics for the about 28 years. He is presently serving as a Senior Director and Head of the Department, High Performance Computing-Medical and Bioinformatics Applications Group, at C-DAC, Pune.

His major area of expertise, is in the use of high performance parallel computers for biological research. His unique strength is in the form of good knowledge of biology and parallel computing. His main research interests include, molecular dynamics simulations of nucleic acids & proteins, genome sequence analysis, metabolic pathways and development of Problem Solving Environments. He has around 66 publications in internationally peer reviewed journals.

 

Could you briefly explain the focus of your article to the non-specialist (in one or two sentences only) and why it is of current interest?
Remdesivir, the emergency drug approved for treating COVID-19 patients helps in blocking the multiplication of SARS-CoV-2 virus. The action of this drug on the viral protein RNA dependent RNA polymerase was mimicked using computational methods, namely, molecular docking and molecular dynamics simulations.

How big an impact could your results potentially have?
The predicted mechanism of action of the drug, remdesivir, on the viral protein of SARS-CoV-2 would help in designing inhibitor molecules against the viruses. The drug target protein is the one, which is observed to be the most conserved among the coronavirus family. Statistically significant results produced through computational drug repurposing methods, add to the prediction accuracy of the drug-target interactions that are of major interest to develop therapeutics.

Could you explain the motivation behind this study?
The need to find the best solution against the global pandemic was the biggest motivation behind this study. This work was performed in the month of May 2020 and during that time, remdesivir, was being considered as one of the best solutions to treat the COVID-19 patients until the designing of the vaccine. Understanding the mechanism adopted by remdesivir would add to the information on the drug-action mechanism. This would be of importance to the experimental and pharmaceutical labs in the process of drug development.

In your opinion, what are the key design considerations for your study?
The key design considerations of our study was to mimic the RNA dependent RNA polymerase inhibition by remdesivir. Trying to understand the structure of RdRP and designing the best fit molecule which can inhibit the drug target with more potency. Being a part of, one of the High Performance Computing (HPC) groups in India, the entire computational study was designed around making the best use of the HPC technologies available to us.

Which part of the work towards this paper proved to be most challenging?
The research work involved many challenges since we had to design simulation systems with limited and evolving structural information of this virus. The major challenge being performing the computational drug repurposing studies in order to accelerate this research. In addition, the analytics involving statistical techniques for the identification of crucial residues and subdomains of the viral protein RNA dependent RNA polymerase also proved to be challenging.

What aspect of your work are you most excited about at the moment?
The mechanism of action and crucial interacting residues predicted through the computational methods in our present study were observed to match the experimental structures that are being elucidated for the RNA dependent RNA polymerase of the SARS-CoV-2.

What is the next step? What work is planned?
The work in this article dealt with remdesivir action in inhibiting the RNA dependent RNA polymerase of SARS-CoV-2. Besides remdesivir, other nucleotide analogues are also known to inhibit RdRP from the other coronaviruses. Hence, we have planned to study the inhibitory mechanism of other nucleotide/nucleoside analogues namely, favipiravir, galidesivir, lamivudine, ribavirin and sofosbuvir in their active metabolite form. This work is currently being targeted using molecular docking and molecular dynamics simulations. We have planned to understand the conformational changes that the RdRP undergoes on binding to natural nucleotides and their analogues. This information may help in designing of better nucleotide analogues.

One more aspect we plan to study is the role of phytochemicals from medicinal plants that are known to be used as a treatment for respiratory ailments. All the data obtained through simulations has been thoroughly sampled and analyzed using statistically significant methods, such as, principal component analysis and Markov state modeling analysis.

 

Remdesivir-bound and ligand-free simulations reveal the probable mechanism of inhibiting the RNA dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2
Shruti Koulgi, Vinod Jani, Mallikarjunachari V. N. Uppuladinne, Uddhavesh Sonavane and Rajendra Joshi
RSC Adv., 2020,10, 26792-26803
DOI: 10.1039/D0RA04743K, Paper

RSC Advances Royal Society of ChemistrySubmit to RSC Advances today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

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Call for Papers: Emerging Investigators series

Profiling the very best research from scientists in the early stages of their independent careers

We are delighted to announce the start of an Emerging Investigators series in RSC Advances!  This series will showcase some of the best research from scientists in the early stages of their independent careers. The series will be Guest Edited by Professor James Batteas (Texas A&M University), and articles in the series will be accepted and published throughout the year. In addition, an Editorial article featuring recent researchers in the issue will be published annually.

Scope

Papers should provide an insight that advances the chemistry field. Papers that contain little or no chemistry and are not considered to be of interest or relevance to the chemistry community are not within the scope of the journal. The criteria for publication are that the work must be high quality, well conducted and advance the development of the field. Articles submitted to the journal are evaluated by our international team of associate editors and reviewers for the overall quality and accuracy of the science presented.

To be eligible researchers should be roughly within 7 years of starting their first independent research position. Career breaks will be taken into consideration (for example, parental or medical leave).

How to submit

Both Papers and Review articles will be considered for this issue. All submissions will be subject to an initial assessment by Associate Editors and, if suitable for the journal, they will be subject to rigorous peer review to meet the usual high standards of RSC Advances.

Our APC is among the lowest in the industry; £750 for articles as well as reviews (corresponding to approximately $985 or €830 or CNY 6800) and there are no submission charges. Discounts and waivers are offered to authors from developing countries.

If you would like to submit to this issue please notify the Editorial Office at advances-rsc@rsc.org. The manuscript should be prepared according to our article guidelines and submitted via our online system anytime.

 

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RSC Advances HOT articles – a feature interview with Marisa G. Santibáñez-Morán and José Medina-Franco

We are very pleased to introduce Marisa G. Santibáñez-Morán (first author), José Medina-Franco (corresponding author) and the team behind the paper ‘Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease‘. Their article has been very well received and handpicked by our reviewers and handling editors as one of our HOT articles. The team told us more about the work that went into this article and what they hope to achieve in the future. You can find out more about the authors and their research at DIFACQUIM, Computer-aided drug-design at UNAM, and find more HOT articles in our online collection.

Could you briefly explain the focus of your article to the non-specialist (in one or two sentences only) and why it is of current interest?
Our article looks for molecules in food chemicals or dark chemical matter (molecules that had not shown activity in 100 or more high-throughput screening assays) that are prospective inhibitors of the SARS-CoV-2 Main protease.

How big an impact could your results potentially have?
It could point to SARS-CoV-2 inhibitors that might otherwise have been overlooked. We would be glad if other research groups will be interested in the computational hits we made publicly available and further analyzed them in experimental assays.

Could you explain the motivation behind this study?
COVID-19 is currently affecting all aspects of human life. Our research group works on computer-aided drug design, and we had previously worked on drug repurposing. We felt that we could and should contribute to the collaborative efforts of scientists from all around the world.

In your opinion, what are the key design considerations for your study?
One was the selection of the molecular libraries where we looked for potential inhibitors. These comprise compounds that recent studies on SARS-CoV-2 have analyzed on a limited basis. Additionally, a large number of these molecules are ready to be tested in experimental assays. Moreover, there are currently numerous papers that reported favorable molecular docking results. However, selecting compounds that would have satisfactory potency and biopharmaceutical results in experimental settings is not trivial. Therefore, we ranked the compounds considering positive results by two molecular docking programs, Machine learning predictions, commercial availability, and ADMETox properties.

Which part of the work towards this paper proved to be most challenging?
First, to select a target and molecular queries for the structural similarity analyses. The latter should include structurally diverse and promising compounds. Another challenge was to create a classification method that helps us select compounds with better possibilities for drug development.

What aspect of your work are you most excited about at the moment?
I am excited about the possibility of finding supporting information about the activity of food chemicals against SARS-CoV-2. I believe that this could result in the development of nutraceuticals with inhibitory activity against the SARS-CoV-2 virus.

What is the next step? What work is planned?
We are waiting for the experimental results of 3 compounds that are being tested by our collaborators in North Carolina. We are also working on another manuscript that explores a broader region of the chemical space. And we hope that we could form new collaborations with RSC Advances readers.

 

Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease
Marisa G. Santibáñez-Morán, Edgar López-López, Fernando D. Prieto-Martínez, Norberto Sánchez-Cruz and José L. Medina-Franco
RSC Adv., 2020,10, 25089-25099
DOI:
10.1039/D0RA04922K, Paper

RSC Advances Royal Society of ChemistrySubmit to RSC Advances today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Keep up to date with our latest HOT articles, Reviews, Collections & more by following us on Twitter. You can also keep informed by signing up to our E-Alerts.

 

 

 

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RSC Advances Science Communications: Catalytically active centers of transition metal phosphides and chalcogenides for water oxidation

Author: Aneeya K. Samantara, Web Writer

The continuous depletion of limited reserved fossil fuels and corresponding environmental concerns due to their combustion strictly demands the exploration of alternative energy resources for sustainability. Although solar and wind energies are harvested, the seasonal intermittence restricts their broad application. In this regard, the scientific community has developed the fuel cell using gaseous fuels like oxygen (at the cathode half-cell) and hydrogen (at the anode half-cell) that can produce electricity with better specific energies without compromising efficiency. The scalable production of these gaseous fuels (i.e. H2 and O2) has become a great challenge for energy researchers. Among the many processes and technologies developed, a green process for the production of these molecular fuels is the electrochemical splitting of water in an electrolyzer. The smooth running of the electrolyzer depends on both the cathodic and anodic half reactions. Whereas the cathodic half reaction (hydrogen evolution reaction; HER) is very straight forward, the multiproton-coupled electron transfer steps cause OER to face sluggish reaction kinetics demanding additional potential (overpotential) to overcome the reaction barrier. Hence, the HER is greatly hampered and thereby the overall electrolysis process. Since the efficiency of the half-cell strictly adheres on the catalytic efficacy of the electrocatalyst, researchers are focusing on the design of new catalyst materials. Among them, the transition metal based dichalcogenides (TMDs) and phosphides (TMPs) are the recent topics of study. Although these electrocatalysts catalyze OER efficiently, phase and composition changes during the course of reaction raises questions about the catalytically active centers of the electrocatalysts.

The in-depth characterization of post catalytic sample as well as in situ sample analysis clearly demonstrates the surface transformation of the TMDs and TMPs. In a particular study by Dutta and Samantara et al. have demonstrated the OER performances of Co2P nano needles in alkaline electrolytic conditions (1). As per the report, a significant broad peroxidation peak was observed in the linear sweep voltammetry signifying the surface oxidation of Co2P to corresponding oxides (CoOx). The interface of Co2P-CoOx facilitate carrier transportation from the core Co2P to oxides on the surface, thereby improving the electrocatalytic performances. Likewise, the core-shell Au@Co2P nanostructures derived via the wet chemical synthesis method were found to act as precursor catalysts for OER. However, the surface oxidized forms, i.e. Co-phosphates and Co-oxides/hydroxides, act as the real active centers of the electrocatalysts in alkaline conditions. The surface transformations were monitored by the X-ray photoelectron study of the post OER sample (2).

P 2p of Au@Co2P after OER tests in comparison with those before OER tests.

Similar surface transformations have been noticed also in case of TMDs. During the course of the OER, the surfaces of metal sulphides and selenides transform to their corresponding oxides and oxy-hydroxides and perform as active electrocatalysts to catalyze the water oxidation. Moreover, these surface transformed oxidized functionalities are more catalytically active than the parent TMDs, TMPs and the respective oxides alone. It is therefore imperative to characterize and define the real active centers of the catalysts used for water oxidation, particularly in alkaline electrolytic conditions.

References

  1. Anirban Dutta, Aneeya K. Samantara, Sumit K. Dutta, Bikash Kumar Jena, and Narayan Pradhan, ACS Energy Lett., 2016, 1, 1, 169–174.
  2. Xiaofang Zhang, Aixian Shan, Sibin Duan, Haofei Zhao, Rongming Wang and Woon-Ming Lau, RSC Adv., 2019,9, 40811-40818.

About the Web Writer:

Dr. Aneeya K. Samantara is Doctor in Chemical Sciences and currently has a Postdoctoral position (NPDF) in the School of Chemical Sciences, National Institute of Science Education and Research, Bhubaneswar, Odisha, India. Recently he joined as Community Board Member of the “Materials Horizon” of Royal Society of Chemistry, London. He pursued his PhD at the CSIR-Institute of Minerals and Materials Technology, Odisha, India. Before joining the PhD program, he completed his master of philosophy in chemistry at Utkal University and master in science in advanced organic chemistry at Ravenshaw University, Cuttack, Odisha, India. Dr. Samantara’s research interests include the synthesis of transition metal based electrocatalysts and graphene composites for energy storage and conversion applications. You can find him on Twitter at @cmrjitu.

 

RSC Advances Royal Society of ChemistrySubmit to RSC Advances today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Keep up to date with our latest HOT articles, Reviews, Collections & more by following us on Twitter. You can also keep informed by signing up to our E-Alerts.

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