Results 101 to 110 of about 135,127 (291)

Deciphering the Dynamics of Non-Covalent Interactions Affecting Thermal Stability of a Protein: Molecular Dynamics Study on Point Mutant of Thermus thermophilus Isopropylmalate Dehydrogenase.

PLoS ONE, 2015
Thermus thermophilius isopropylmalate dehydrogenase catalyzes oxidative decarboxylation and dehydrogenation of isopropylmalate. Substitution of leucine to alanine at position 172 enhances the thermal stability among the known point mutants. Exploring the
Reetu Sharma, G Narahari Sastry
doaj   +1 more source

On the rupture of DNA molecule

, 2015
Using Langevin Dynamic simulations, we study effects of the shear force on the rupture of a double stranded DNA molecule. The model studied here contains two single diblock copolymers interacting with each other.
Giri, D., Kumar, S., Mishra, R. K., Modi, T.   +3 more
core   +1 more source

Combinatorial Synthesis of Next Generation Water‐Soluble Quaternized N‐Halamine Oligomers with Long‐Lasting Antiviral Properties

Advanced Functional Materials, EarlyView.
A combinatorial library of dual‐functional antiviral oligomers incorporating N‐halamine and quaternary ammonium functionalities is developed for long‐lasting antiviral activity. The lead materials exhibit rapid and durable antiviral activity against SARS‐CoV‐2 variants and influenza H1N1, with 4 to 5 log reduction in viral copies at 5 mg mL−1 ...
Eid Nassar‐Marjiya, Konda Reddy Kunduru, Krishanu Ghosal, Luna Rizik, Nofar Atari, Mahran Daifa, Neta Kutner, Bassma Khamaisi, Qi Wu, Simran Jindal, Merna Shaheen‐Mualim, Ranabir Majumder, Mahitosh Mandal, Michal Mandelboim, Shady Farah   +14 more
wiley   +1 more source

Repeatable mechanochemical activation of dynamic covalent bonds in thermoplastic elastomers

Chemical Communications, 2016
Repeated mechanical activation of diarylbibenzofuranone-based mechanophores incorporated in segmented polyurethane elastomers is demonstrated.
Keiichi Imato, Takeshi Kanehara, Shiki Nojima, Tomoyuki Ohishi, Yuji Higaki, Atsushi Takahara, Hideyuki Otsuka   +6 more
openaire   +3 more sources

Selective Benzene Capture by Metal‐Organic Frameworks

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) hold significant potential for capturing benzene from air emissions and hydrocarbon mixtures in liquid phases. This capability stems from their precisely engineered structures, versatile chemistries, and diverse binding interactions.
Zongsu Han, Ankit Mondal, Jiatong Huo, Yihao Yang, Hong‐Cai Zhou   +4 more
wiley   +1 more source

Ab initio theory and modeling of water

, 2017
Water is of the utmost importance for life and technology. However, a genuinely predictive ab initio model of water has eluded scientists. We demonstrate that a fully ab initio approach, relying on the strongly constrained and appropriately normed (SCAN)
Andrade, Marcos F. Calegari, Car, Roberto, Chen, Mohan, Klein, Michael L., Ko, Hsin-Yu, Perdew, John P., Remsing, Richard C., Santra, Biswajit, Selloni, Annabella, Sun, Zhaoru, Wu, Xifan   +10 more
core   +1 more source

Flexibility and Dynamicity Enhances and Controls Supramolecular Self‐Assembly of Zinc(II) Metallogels

Advanced Functional Materials, EarlyView.
Zinc(II) coordination complexes with tunable aryloxy‐imine ligands exhibit controllable supramolecular self‐assembly into hierarchical fibrous structures. Coordination‐driven stacking, not π–π interactions, enables gelation, dynamic assembly/disassembly, and enhanced nanomechanical properties.
Merlin R. Stühler, Hesam Makki, Dorothee Silbernagl, Mathias Dimde, Kai Ludwig, Bengt E. Tegner, Christopher Greve, Konstantin Rausch, Eva M. Herzig, Anna Köhler, Alex J. Plajer   +10 more
wiley   +1 more source

Reconfigurable liquids enabled by dynamic covalent chemistry

Aggregate
Nanoparticle surfactants (NPSs) that form via the reversible non‐covalent interactions between nanoparticles (NPs) and polymer ligands at the oil‐water interface have received great attention in constructing structured liquids with unique stimuli ...
Kaijuan Li, Yuzheng Luo, Yunhui Wen, Wenrui Shan, Shaowei Shi   +4 more
doaj   +1 more source

Polysaccharide Hydrogels Based on Cellulose and Chitosan for Drug Sustained-Release Applications

Applied Sciences
This study developed a novel water-soluble Cellulose Acetoacetate (CAA)-chitosan (CS) composite hydrogel drug delivery system. In this system, CAA and CS molecules are cross-linked via dynamic enamine bonds, forming a three-dimensional network structure ...
Xueyan Jin, Hong Xu, Zhiping Mao, Xueling Feng, Yi Zhong   +4 more
doaj   +1 more source

The Effect of Intermolecular Halogen Bond on 19F DNP Enhancement in 1, 4-Diiodotetrafluorobenzene/4-OH-TEMPO Supramolecular Assembly

Chinese Journal of Magnetic Resonance, 2017
Halogen bond, as hydrogen bond, is a non-covalent bond. Dynamic nuclear polarization (DNP) technique has been used previously to study hydrogen bonds-mediated intermolecular interactions. However, no study has been carried out so far to study the halogen
GAO Shan, HUANG Chong-yang, ZHANG Zhen, CHEN Jun-fei, HE Yu-gui, CHEN Li, CHEN Fang, ZHANG Jin-zhi, LIU Chao-yang   +8 more
doaj   +1 more source