Results 41 to 50 of about 117,370 (260)

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Two closely related 2-(benzofuran-2-yl)-2-oxoethyl benzoates: structural differences and C—H...O hydrogen-bonded supramolecular assemblies

Acta Crystallographica Section E: Crystallographic Communications, 2017
The compounds 2-(1-benzofuran-2-yl)-2-oxoethyl 2-nitrobenzoate, C17H11NO6 (I), and 2-(1-benzofuran-2-yl)-2-oxoethyl 2-aminobenzoate, C17H13NO4 (II), were synthesized under mild conditions.
Li Yee Then, C. S. Chidan Kumar, Huey Chong Kwong, Yip-Foo Win, Siau Hui Mah, Ching Kheng Quah, S. Naveen, Ismail Warad   +7 more
doaj   +1 more source

Studies of pilocarpine:carbomer intermolecular interactions

International Journal of Pharmaceutics, 2012
The interactions between pilocarpine (PIL) and the anionic polyelectrolyte carbomer (CBR) were investigated. The effects of the chemical interactions on the chemical stability of the drug also were evaluated. The binary system was characterized by nuclear magnetic resonance techniques, Fourier-transform infrared spectroscopy (FT-IR), X-ray powder ...
Zoppi, Ariana, Garro Linck, Yamila, Monti, Gustavo Alberto, Genovese, Diego Bautista, Jimenez Kairuz, Alvaro Federico, Manzo, Ruben Hilario, Longhi, Marcela Raquel   +6 more
openaire   +3 more sources

Laser‐Induced Graphene from Waste Almond Shells

Advanced Functional Materials, EarlyView.
Almond shells, an abundant agricultural by‐product, are repurposed to create a fully bioderived almond shell/chitosan composite (ASC) degradable in soil. ASC is converted into laser‐induced graphene (LIG) by laser scribing and proposed as a substrate for transient electronics.
Yulia Steksova, Anna Chiara Bressi, Marina Galliani, Attilio Marino, Gianni Ciofani, Eduardo Machado‐Charry, Hilda Gomez Bernal, Alessandra Francini, Luca Sebastiani, Francesco Greco   +9 more
wiley   +1 more source

High Output Voltage Aqueous Supercapacitors by Water Deactivated Electrolyte over Wide Temperature Range

Advanced Science
Confined by factors such as low operating voltage, poor temperature resistance, and instability at high voltage, the energy density of conventional symmetric aqueous supercapacitors is undesirable over a wide temperature range. It is still challenging to
Hongji Wang, Wenpeng Liu, Jin Huang, Tianliang Xiao, Wenwei Lei, Faming Gao, Mingjie Liu   +6 more
doaj   +1 more source

Composites of Shellac and Silver Nanowires as Flexible, Biobased, and Corrosion‐Resistant Transparent Conductive Electrodes

Advanced Functional Materials, EarlyView.
Shellac, a centuries‐old natural resin, is reimagined as a green material for flexible electronics. When combined with silver nanowires, shellac films deliver transparency, conductivity, and stability against humidity. These results position shellac as a sustainable alternative to synthetic polymers for transparent conductors in next‐generation ...
Rahaf Nafez Hussein, Tiago Carneiro Gomes, Eliza Ng, Simon Rondeau‐Gagné, Tricia Breen Carmichael   +4 more
wiley   +1 more source

Molecular Adsorbing Host•Guest (MAHG) Crystals: A New Paradigm for Porous Materials?

Advanced Functional Materials, EarlyView.
Networking! Introduction of guest molecules in macrocycles before crystallization profoundly influences the material obtained in terms of structure and function. Beside simplicity and porous space improvement, this approach is endowed with a huge potential given the myriad of potential guest molecules that can be used to tune this burgeoning class of ...
Ingrid Suzana, Michel Giorgi, Anthony Kermagoret, Alexandre Martinez, David Bardelang   +4 more
wiley   +1 more source

Non-specific Interactions Between Macromolecular Solutes in Concentrated Solution: Physico-Chemical Manifestations and Biochemical Consequences

Frontiers in Molecular Biosciences, 2019
A general thermodynamic formulation of the effect of hard and soft non-specific intermolecular interactions upon reaction equilibria is summarized. A highly simplified quantitative model for non-specific intermolecular interaction is introduced.
Travis Hoppe, Allen P. Minton
doaj   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

Intermolecular interactions in solid benzene

The Journal of Chemical Physics, 2006
The lattice dynamics and molecular vibrations of benzene and deuterated benzene crystals are calculated from force constants derived from density-functional theory (DFT) calculations and compared with measured inelastic neutron-scattering spectra. A very small change (0.5%) in lattice parameter is required to obtain real lattice-mode frequencies across
Kearley, G.J. (author), Johnson, M.R. (author), Tomkinson, J. (author)   +2 more
openaire   +5 more sources