Results 21 to 30 of about 368,707 (256)

Unraveling Aging Processes by Molecular Dynamics in High Impact Polystyrene/Organoclay Nanocomposites using Solid-State NMR to understand the microplastics generation [PDF]

open access: yesAnais da Academia Brasileira de Ciências
High-impact polystyrene (HIPS) nanocomposites containing organoclay were investigated under UV-accelerated aging using solid-state NMR to elucidate the evolution of molecular mobility and morphology.
PAULO SERGIO RANGEL CRUZ DA SILVA   +1 more
doaj   +1 more source

Impact of n-Doping Mechanisms on the Molecular Packing and Electron Mobilities of Molecular Semiconductors for Organic Thermoelectrics

open access: yesOrganic Materials, 2022
Electrical conductivity is one of the key parameters for organic thermoelectrics and depends on both the concentration and mobility of charge carriers. To increase the carrier concentration, molecular dopants have to be added into organic semiconductor ...
Yan Zeng, Guangchao Han, Yuanping Yi
doaj   +1 more source

Molecular mobility in glassy dispersions

open access: yesThe Journal of Chemical Physics, 2016
Dielectric spectroscopy was used to characterize the structural relaxation in pharmaceutical dispersions containing nifedipine (NIF) and either poly(vinyl) pyrrolidone (PVP) or hydroxypropyl methylcellulose acetate succinate (HPMCAS). The shape of the dielectric response (permittivity versus log time) curve was observed to be independent of temperature.
Mehak Mehta   +2 more
openaire   +3 more sources

ОСОБЕННОСТИ САМОДИФФУЗИИ В НЕФТИ ТУЛЬСКОГО ГОРИЗОНТА ЯМАШИНСКОГО МЕСТОРОЖДЕНИЯ

open access: yesИзвестия высших учебных заведений: Нефть и газ, 2016
Using the NMR method with a pulsed magnetic field gradient the features of crude oil self-diffusion were investigated on samples of oil from the Tula horizon, the oil field Yamashinskoye. It was found that the samples were characterized by a complicated (
N. K. Dvoyashkin, R. N. Burkhanov
doaj   +1 more source

Accurate Analysis of Anisotropic Carrier Mobility and Structure–property Relationships in Organic BOXD Crystalline Materials

open access: yesFrontiers in Chemistry, 2021
Charge mobility is an essential factor of organic crystalline materials. Although many investigators have made important progress, the exact relationship between the crystal structure and carrier mobility remains to be clarified. Fortunately, a series of
Shi-Ping Wang   +7 more
doaj   +1 more source

Molecular Mobility of the Paracetamol Amorphous Form.

open access: yesChemical and Pharmaceutical Bulletin, 2000
The purpose of this paper is to study the molecular mobility of paracetamol molecules in their amorphous state below the glass transition temperature (Tg) in order to evaluate the thermodynamic driving force which allows the amorphous form to recrystallize under different polymorphic modifications. Samples were aged at temperatures of -15, 0, 6, and 12
DI MARTINO, Piera   +2 more
openaire   +4 more sources

Terahertz Spectroscopy: An Investigation of the Structural Dynamics of Freeze-Dried Poly Lactic-co-glycolic Acid Microspheres

open access: yesPharmaceutics, 2019
Biodegradable poly lactic-co-glycolic acid (PLGA) microspheres can be used to encapsulate peptide and offer a promising drug-delivery vehicle. In this work we investigate the dynamics of PLGA microspheres prepared by freeze-drying and the molecular ...
Talia A. Shmool   +4 more
doaj   +1 more source

Rheological and Microstructure Evaluations of Amorphous Sucrose-Maltodextrin-Sodium Citrate Mixture

open access: yesApplied Rheology, 2017
Rheological properties and the mechanical relaxation behavior of rubbery amorphous sucrose-maltodextrin-sodium citrate systems were studied at room temperature using the small amplitude oscillatory shear test in the frequency range of 0.1 - 150 Hz.
Sritham Eakasit, Gunasekaran Sundaram
doaj   +1 more source

Relative Contributions of Solubility and Mobility to the Stability of Amorphous Solid Dispersions of Poorly Soluble Drugs: A Molecular Dynamics Simulation Study

open access: yesPharmaceutics, 2018
Amorphous solid dispersions are considered a promising formulation strategy for the oral delivery of poorly soluble drugs. The limiting factor for the applicability of this approach is the physical (in)stability of the amorphous phase in solid samples ...
Michael Brunsteiner   +2 more
doaj   +1 more source

Classical Molecular Dynamics with Mobile Protons [PDF]

open access: yesJournal of Chemical Information and Modeling, 2017
An important limitation of standard classical molecular dynamics simulations is the inability to make or break chemical bonds. This restricts severely our ability to study processes that involve even the simplest of chemical reactions, the transfer of a proton.
Themis Lazaridis, Gerhard Hummer
openaire   +2 more sources

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