Results 121 to 130 of about 346,816 (296)

Insight into the stabilization mechanism of rice protein amyloid fibrils modification on soy protein isolate gels: Gel properties, microstructure, and molecular conformation

Food Chemistry: X
The objective of this work was to investigate the effects of rice protein amyloid fibrils (RF) on gel and structural properties of soy protein isolate (SPI) gel.
Jinming Ma, Lishuang Wang, Deyin Pan, Kexin Wang, Jinjie Huo, Xiaoqi Ma, Baoxin Lu, Xiaoshuai Yu, Zhigang Xiao   +8 more
doaj   +1 more source

Synthesis, Structure, Hirshfeld Surface Analysis, Non-Covalent Interaction, and In Silico Studies of 4-Hydroxy-1-[(4-Nitrophenyl)Sulfonyl]Pyrrolidine-2-Carboxyllic Acid. [PDF]

J Chem Crystallogr, 2023
Ugwu DI, Eze FU, Ezeorah CJ, Rhyman L, Ramasami P, Tania G, Eze CC, Uzoewulu CP, Ogboo BC, Okpareke OC.   +9 more
europepmc   +1 more source

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source

Towards understanding π-stacking interactions between non-aromatic rings

IUCrJ, 2019
The first systematic study of π interactions between non-aromatic rings, based on the authors' own results from an experimental X-ray charge-density analysis assisted by quantum chemical calculations, is presented.
Krešimir Molčanov, Biserka Kojić-Prodić   +1 more
doaj   +1 more source

Extension of the B3LYP - Dispersion-Correcting Potential Approach to the Accurate Treatment of both Inter- and Intramolecular Interactions

, 2013
We recently showed that dispersion-correcting potentials (DCPs), atom-centered Gaussian-type functions developed for use with B3LYP (J. Phys. Chem. Lett.
DiLabio, Gino A., Koleini, Mohammad, Torres, Edmanuel   +2 more
core   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Reciprocal carbonyl–carbonyl interactions in small molecules and proteins

Nature Communications, 2017
Carbonyl-carbonyl π* non covalent interactions affect the structure and stability of small molecules and proteins. Here, the authors carry out experimental studies, analyses of crystallographic databases and theoretical calculations to describe an ...
Abdur Rahim, Pinaki Saha, Kunal Kumar Jha, Nagamani Sukumar, Bani Kanta Sarma   +4 more
doaj   +1 more source

3D‐Printed Sulfur‐Derived Polymers With Controlled Architectures for Lithium‐Sulfur Batteries

Advanced Functional Materials, EarlyView.
Rheology‐guided formulation design for direct ink writing enables the fabrication of 3D sulfur copolymer cathodes with controlled architectures for lithium‐sulfur batteries. The printed electrodes exhibit multiscale porosity and high sulfur utilization, delivering enhanced electrochemical performance compared to conventional cast electrodes.
Bin Ling, Haoran Wang, Pan Yang, Rishav Agrawal, Alex R. Neale, Laurence J. Hardwick, Tom Hasell, Esther García‐Tuñón   +7 more
wiley   +1 more source

In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leaves. [PDF]

Front Chem, 2023
Gunasekaran P, Velmurugan Y, Arputharaj DS, Savaridasson JK, Hemamalini M, Venkatachalam R.   +5 more
europepmc   +1 more source

Smart, Bio‐Inspired Polymers and Bio‐Based Molecules Modified by Zwitterionic Motifs to Design Next‐Generation Materials for Medical Applications

Advanced Functional Materials, EarlyView.
Bio‐based and (semi‐)synthetic zwitterion‐modified novel materials and fully synthetic next‐generation alternatives show the importance of material design for different biomedical applications. The zwitterionic character affects the physiochemical behavior of the material and deepens the understanding of chemical interaction mechanisms within the ...
Theresa M. Lutz, Jonas De Breuck, Sahar Salehi, Meike N. Leiske   +3 more
wiley   +1 more source