scholarly journals Molecular-Level Investigation of Cycloaliphatic Epoxidised Ionic Liquids as a New Generation of Monomers for Versatile Poly(Ionic Liquids)

Polymers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1512
Author(s):  
Baris Demir ◽  
Gabriel Perli ◽  
Kit-ying Chan ◽  
Jannick Duchet-Rumeau ◽  
Sébastien Livi
Keyword(s):  
Ionic Liquids ◽  
Molecular Level ◽  
Computational Approach ◽  
Polymer Materials ◽  
Chemical Structures ◽  
Cycloaliphatic Epoxy ◽  
Polymer Models ◽  
Mechanical Performances ◽  
Dynamics Simulations ◽  
New Generation

Recently, a new generation of polymerised ionic liquids with high thermal stability and good mechanical performances has been designed through novel and versatile cycloaliphatic epoxy-functionalised ionic liquids (CEILs). From these first promising results and unexplored chemical structures in terms of final properties of the PILs, a computational approach based on molecular dynamics simulations has been developed to generate polymer models and predict the thermo–mechanical properties (e.g., glass transition temperature and Young’s modulus) of experimentally investigated CEILs for producing multi-functional polymer materials. Here, a completely reproducible and reliable computational protocol is provided to design, test and tune poly(ionic liquids) based on epoxidised ionic liquid monomers for future multi-functional thermoset polymers.

Ionic Liquids as Lubricants in Steel-Steel Contacts

2007 ◽  
Author(s):  
N. Doerr ◽  
A. Schneider
Keyword(s):  
Thermal Stability ◽  
Ionic Liquids ◽  
Friction And Wear ◽  
Chemical Properties ◽  
Wear Behaviour ◽  
Chemical Structures ◽  
Physico Chemical ◽  
New Generation

A new generation of lubricants based on pure ionic liquids of varying chemical structures has been evaluated in this work. Friction and wear behaviour of these ionic liquids have been investigated by an oscillating friction and wear tester with ball-on-disk geometry. Tribological experiments have been performed at 30, 100 and 170 °C and results have been compared with three reference lubricants. Ionic liquids were found to be partly superior to the reference lubricants. The chosen ionic liquids were assessed being acceptable to excellent regarding long-term thermal stability at 100 °C. At 150 °C a few ionic liquids still fulfilled requirements of negligible degradation characterized by low evaporation rates and constant physico-chemical properties. Furthermore results clearly showed that the choice of anion and cation is decisive for physico-chemical, tribological and long-term behaviour of ionic liquids.

Biocompatibility of Dicationic Imidazolium-Based Ionic Liquids: A New Generation of Multifunctional Coatings for Titanium Implants

2019 ◽  
Author(s):  
Sutton E. Wheelis ◽  
Claudia C. Biguetti ◽  
Shruti Natarajan ◽  
Lidia Guida ◽  
Brian Hedden ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Titanium Implants ◽  
New Generation

Flavonoids as P-gp Inhibitors: A Systematic Review of SARs

2019 ◽  
Vol 26 (25) ◽  
pp. 4799-4831 ◽  
Author(s):  
Jiahua Cui ◽  
Xiaoyang Liu ◽  
Larry M.C. Chow
Keyword(s):  
Molecular Mechanisms ◽  
Metastatic Cancer ◽  
Drug Candidates ◽  
Chemical Structures ◽  
Transporter Family ◽  
Promising Area ◽  
New Generation ◽  
Nontoxic Inhibitors

P-glycoprotein, also known as ABCB1 in the ABC transporter family, confers the simultaneous resistance of metastatic cancer cells towards various anticancer drugs with different targets and diverse chemical structures. The exploration of safe and specific inhibitors of this pump has always been the pursuit of scientists for the past four decades. Naturally occurring flavonoids as benzopyrone derivatives were recognized as a class of nontoxic inhibitors of P-gp. The recent advent of synthetic flavonoid dimer FD18, as a potent P-gp modulator in reversing multidrug resistance both in vitro and in vivo, specifically targeted the pseudodimeric structure of the drug transporter and represented a new generation of inhibitors with high transporter binding affinity and low toxicity. This review concerned the recent updates on the structure-activity relationships of flavonoids as P-gp inhibitors, the molecular mechanisms of their action and their ability to overcome P-gp-mediated MDR in preclinical studies. It had crucial implications on the discovery of new drug candidates that modulated the efflux of ABC transporters and also provided some clues for the future development in this promising area.

Current Progress in Biomedical Applications of Chitosan-Carbon Nanotube Nanocomposites: A Review

2020 ◽  
Vol 20 (16) ◽  
pp. 1619-1632
Author(s):  
Katarzyna Pieklarz ◽  
Michał Tylman ◽  
Zofia Modrzejewska
Keyword(s):  
Carbon Nanotube ◽  
Medical Science ◽  
Antimicrobial Properties ◽  
Polymer Materials ◽  
Biological Macromolecules ◽  
Medical Sciences ◽  
New Generation ◽  
High Degree ◽  
Dressing Materials

The currently observed development of medical science results from the constant search for innovative solutions to improve the health and quality of life of patients. Particular attention is focused on the design of a new generation of materials with a high degree of biocompatibility and tolerance towards the immune system. In addition, apart from biotolerance, it is important to ensure appropriate mechanical and technological properties of materials intended for intra-body applications. Knowledge of the above parameters becomes the basis for considerations related to the possibilities of choosing the appropriate polymer materials. The researchers' interest, as evidenced by the number of available publications, is attracted by nanobiocomposites based on chitosan and carbon nanotubes, which, due to their properties, enable integration with the tissues of the human body. Nanosystems can be used in many areas of medicine. They constitute an excellent base for use as dressing materials, as they exhibit antimicrobial properties. In addition, they can be carriers of drugs and biological macromolecules and can be used in gene therapy, tissue engineering, and construction of biosensors. For this reason, potential application areas of chitosan-carbon nanotube nanocomposites in medical sciences are presented in this publication, considering the characteristics of the system components.

Prediction of Ionic Liquids Properties through Molecular Dynamics Simulations

2014 ◽  
Vol 4 (2) ◽  
pp. 151-172 ◽  
Author(s):  
Marta L.S. Batista ◽  
Joao A.P. Coutinho ◽  
Jose R.B. Gomes
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

scholarly journals A novel chemical biology and computational approach to expedite the discovery of new-generation polymyxins against life-threatening Acinetobacter baumannii

2021 ◽  
Author(s):  
Xukai Jiang ◽  
Nitin A. Patil ◽  
Mohammad A. K. Azad ◽  
Hasini Wickremasinghe ◽  
Heidi Yu ◽  
...  
Keyword(s):  
Public Health ◽  
Chemical Biology ◽  
Multidrug Resistant ◽  
Computational Approach ◽  
Gram Negative Bacteria ◽  
Global Public Health ◽  
Gram Negative ◽  
Life Threatening ◽  
New Generation ◽  
Novel Antibiotics

Multidrug-resistant Gram-negative bacteria have been an urgent threat to global public health. Novel antibiotics are desperately needed to combat these 'superbugs'.

scholarly journals The Synthesis of Poly(Vinyl Alcohol) Grafted with Fluorinated Protic Ionic Liquids Containing Sulfo Functional Groups

Molecules ◽  
2021 ◽  
Vol 26 (14) ◽  
pp. 4158
Author(s):  
Patrycja Glińska ◽  
Andrzej Wolan ◽  
Wojciech Kujawski ◽  
Edyta Rynkowska ◽  
Joanna Kujawa
Keyword(s):  
Ionic Liquids ◽  
Vinyl Alcohol ◽  
Proton Exchange ◽  
Polymer Materials ◽  
Polymerization Reaction ◽  
Poly Vinyl Alcohol ◽  
Hydroxyl Groups ◽  
Protic Ionic Liquids ◽  
Synthesis Route ◽  
Sulfo Groups

There has been an ongoing need to develop polymer materials with increased performance as proton exchange membranes (PEMs) for middle- and high-temperature fuel cells. Poly(vinyl alcohol) (PVA) is a highly hydrophilic and chemically stable polymer bearing hydroxyl groups, which can be further altered. Protic ionic liquids (proticILs) have been found to be an effective modifying polymer agent used as a proton carrier providing PEMs’ desirable proton conductivity at high temperatures and under anhydrous conditions. In this study, the novel synthesis route of PVA grafted with fluorinated protic ionic liquids bearing sulfo groups (–SO3H) was elaborated. The polymer functionalization with fluorinated proticILs was achieved by the following approaches: (i) the PVA acylation and subsequent reaction with fluorinated sultones and (ii) free-radical polymerization reaction of vinyl acetate derivatives modified with 1-methylimidazole and sultones. These modifications resulted in the PVA being chemically modified with ionic liquids of protic character. The successfully grafted PVA has been characterized using 1H, 19F, and 13C-NMR and FTIR-ATR. The presented synthesis route is a novel approach to PVA functionalization with imidazole-based fluorinated ionic liquids with sulfo groups.

Cholinium-amino acid based ionic liquids: a new method of synthesis and physico-chemical characterization

2015 ◽  
Vol 17 (32) ◽  
pp. 20687-20698 ◽  
Author(s):  
Serena De Santis ◽  
Giancarlo Masci ◽  
Francesco Casciotta ◽  
Ruggero Caminiti ◽  
Eleonora Scarpellini ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Amino Acid ◽  
Room Temperature ◽  
Chemical Characterization ◽  
New Method ◽  
Room Temperature Ionic Liquids ◽  
Synthetic Method ◽  
Chemical Structures ◽  
Physico Chemical ◽  
Wide Range

Fourteen cholinium-amino acid based room temperature ionic liquids were prepared using a cleaner synthetic method. Chemicophysical properties were well correlated with the wide range of amino acid chemical structures.

Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids

2017 ◽  
Vol 19 (26) ◽  
pp. 17426-17433 ◽  
Author(s):  
K. G. Sprenger ◽  
J. G. Plaks ◽  
J. L. Kaar ◽  
J. Pfaendtner
Keyword(s):  
Ionic Liquids ◽  
Structure Function ◽  
Molecular Level ◽  
Specific Design ◽  
Host Environment ◽  
Host Interactions

For many different frameworks, the structure, function, and dynamics of an enzyme is largely determined by the nature of its interactions with the surrounding host environment, thus a molecular level understanding of enzyme/host interactions is essential to the design of new processes and applications.

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