Results 81 to 90 of about 2,649,388 (257)

Covalent features in the hydrogen bond of a water dimer: molecular orbital analysis [PDF]

arXiv, 2015
The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs) crossing the O and H atoms of the hydrogen-bond in water dimer.
arxiv  

Multiple‐Repeated Plasma Surface Treatments for Significantly Improving Bonding Performance of Metal‐Carbon‐Fiber‐Reinforced Thermoplastic Polymer Dissimilar Adhesive Joints

Advanced Engineering Materials, EarlyView.
Multiple plasma surface treatments improved the Mode I fracture energy of metal‐carbon‐fiber‐reinforced thermoplastic polymer (CFRTP) joints by ≈240% compared to single treatments and nearly 2000% over untreated joints. This significant enhancement, achieved without modifying CFRTP surface roughness, is attributed to improved chemical bonding at the ...
Angela A. Lee, Yao Qiao, Yongsoon Shin, Ethan K. Nickerson, Kevin L. Simmons   +4 more
wiley   +1 more source

Enhanced Mechanical Properties of Injectable Chitosan–Guar Gum Hydrogel Reinforced with Bacterial Cellulose Nanofibers for Tissue Engineering Applications

Advanced Engineering Materials, EarlyView.
This study presents the development and characterization of injectable nanocomposite hydrogels based on N‐succinyl chitosan, oxidized guar gum, and bacterial cellulose nanofibers. Emphasizing enhanced mechanical properties and biocompatibility, the hydrogels exhibit fast gelation, improved structural integrity, and reduced swelling. Their potential for
Raimundo Nonato Fernandes Moreira Filho, Pascale Chevallier, Silvia Rodriguez Fernandez, Maud Viallon, Matheus Xavier de Oliveira, Ana Lorena de Brito Soares, Diego Mantovani, Judith Pessoa de Andrade Feitosa, Rodrigo Silveira Vieira   +8 more
wiley   +1 more source

Are Bond Critical Points Really Critical for Hydrogen Bonding?

Journal of Chemical Theory and Computation, 2013
Atoms in Molecules (AIM) theory is routinely used to assess hydrogen bond formation; however its stringent criteria controversially exclude some systems that otherwise appear to exhibit weak hydrogen bonds. We show that a regional analysis of the reduced
Joseph R. Lane, J. Contreras‐García, Jean‐Philip Piquemal, B. J. Miller, H. Kjaergaard   +4 more
semanticscholar   +1 more source

Recent Progress on 2D‐Material‐Based Smart Textiles: Materials, Methods, and Multifunctionality

Advanced Engineering Materials, EarlyView.
Advancements in 2D‐material‐integrated smart textiles are reviewed, with a focus on materials, fabrication methods, and multifunctional applications, including energy harvesting, monitoring, EMI shielding, energy storage, and thermal management. The discussion addresses key challenges and provides insights into the future development of next‐generation
Yong Choi, Jiheon Kim, Jaemin Lee, Xinqi Chen, Byungseok Seo, Wonjoon Choi   +5 more
wiley   +1 more source

Role of Hydrogen Bonding in Green Fluorescent Protein-like Chromophore Emission. [PDF]

, 2019
The fluorescence emission from green fluorescent protein (GFP) is known to be heavily influenced by hydrogen bonding between the core fluorophore and the surrounding side chains or water molecules.
Chen, Xiaofeng, Jiang, Jun, Luo, Yi, Miao, Hui, Nian, Shifeng, Sharman, Edward, Yang, Li, Zhang, Guozhen, Zhang, Xuepeng   +8 more
core  

A General Cyanine‐Based Platform for Designing Robust Dual‐Channel Near‐Infrared Fluorescent and Photoacoustic Probes

Advanced Functional Materials, EarlyView.
The study presents a general cyanine‐based platform CySN for designing robust dual‐channel near‐infrared fluorescent (NIRF) and photoacoustic (PA) probes with high ratiometric signals change. CySN enables the construction of highly sensitive and selective dual‐channel NIRF/PA probes for both small molecule and enzyme biomarkers (H2O2, esterase ...
Pingzhou Wu, Zheng Qu, Jie Zhang, Xiaojie Ren, Dongqing Wang, Chen Huang, Ke Cheng, Junyang Qi, Heng Shi, Shenglong Gan, Wenyu Wei, Yachao Zhang, Chun‐Sing Lee, Lidai Wang, Hongyan Sun   +14 more
wiley   +1 more source

Electronic structure and stability of hydrogen defects in diamond and boron doped diamond: A density functional theory study [PDF]

arXiv, 2014
Isolated hydrogen and hydrogen pairs in bulk diamond matrix have been studied using density functional theory calculations. The electronic structure and stability of isolated and paired hydrogen defects are investigated at different possible lattice sites in pure diamond and boron doped diamond.
arxiv  

Constructing Covalent Organic Polymers through Dative B─N Bonds: Synthesis, Single Crystal Structures, and Physical Properties

Advanced Functional Materials, EarlyView.
Dynamic linkages are highly attractive in preparing single crystals of covalent organic polymers (COPs). Here, single crystals of two COPs CityU‐15 and CityU‐16 based on reversible B─N bonds are constructed using tetra(4‐pyridyl)tetrathiafulvalene and tetra(4‐pyridyl)porphine as monomers.
Xin Wang, Lei Zhang, Xiang Wang, Tianqi Cheng, Miaomiao Xue, Qiang Dong, Yungkang Peng, Qichun Zhang   +7 more
wiley   +1 more source

Active Hydrogen for Electrochemical Ammonia Synthesis

Advanced Functional Materials, EarlyView.
This review provides a comprehensive overview of the active hydrogen (H*) for electrochemical ammonia synthesis with particular attention given to the regulation of H* generation and consumption to suppress the competition of hydrogen evolution reaction and enhance the yield, selectivity, and Faradaic efficiency of ammonia.
Guoqiang Gan, Guo Hong, Wenjun Zhang
wiley   +1 more source