Measurements of the decay of electric fields, formed spontaneously within vapour-deposited films of cis-methyl formate, provide the first direct assessment of the energy barrier to secondary relaxation in a molecular glass. At temperatures far below the glass transition temperature, the mechanism of relaxation is shown to be through hindered molecular rotation. Magnetically-polarised neutron scattering experiments exclude diffusion, which is demonstrated to take place only close to the glass transition temperature.
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http://dx.doi.org/10.1039/d1cc01639c | DOI Listing |
ACS Phys Chem Au
January 2025
Department of Chemistry, McGill University, Montréal, Québec H3A 0B8, Canada.
Amorphous solids form an enormous and underutilized class of materials. In order to drive the discovery of new useful amorphous materials further we need to achieve a closer convergence between computational and experimental methods. In this review, we highlight some of the important gaps between computational simulations and experiments, discuss popular state-of-the-art computational techniques such as the Activation Relaxation Technique (ARTn) and Reverse Monte Carlo (RMC), and introduce more recent advances: machine learning interatomic potentials (MLIPs) and generative machine learning for simulations of amorphous matter (e.
View Article and Find Full Text PDFSci Rep
January 2025
Advanced Glass and Glass Ceramic Research Laboratory, Department of Physics, University of Lucknow, Lucknow, 226007, India.
Recently, 3-D porous architecture of the composites play a key role in cell proliferation, bone regeneration, and anticancer activities. The osteoinductive and osteoconductive properties of β-TCP allow for the complete repair of numerous bone defects. Herein, β-TCP was synthesized by wet chemical precipitation route, and their 3-D porous composites with HBO and Cu nanoparticles were prepared by the solid-state reaction method with improved mechanical and biological performances.
View Article and Find Full Text PDFAnal Chim Acta
February 2025
Institute for Advanced Study (IAS), College of Life Sciences and Oceanography, Shenzhen University, Shenzhen, Guangdong, 518060, China. Electronic address:
Background: Alzheimer's disease (AD) is a neurodegenerative disorder with a very long duration, posing a serious threat to people's life and health. To date, no medicine that can cure or reverse the disease has been developed or reported, so early diagnosis and timely intervention are essential. The concentration of Phosphorylated tau181 (P-tau181) in blood has been approved by FDA as a standard for assisting clinical diagnosis of AD.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Department of Chemistry, Sungkyunkwan University, Suwon 16419, Republic of Korea.
Physical vapor deposition is widely used in the fabrication of organic light-emitting diodes and has the potential to adjust the density and orientation through substrate temperature control, which may lead to enhanced electrical performance. However, it is unclear whether this enhanced property is because of the horizontal molecular orientation or the increased density. The effects of the density and orientation on the electrical properties of a potential electron transport material, (3-dibenzo[c,h]acridin-7-yl)phenyl)diphenylphosphine oxide (TPPO-dibenzacridine), were investigated.
View Article and Find Full Text PDFPharmaceutics
January 2025
Department of Chemical and Pharmaceutical Sciences, University of Trieste, Piazzale Europa 1, 34127 Trieste, Italy.
This study investigates the preparation of coamorphous systems composed entirely of active pharmaceutical ingredients (APIs), namely praziquantel, niclosamide, and mebendazole. The objective was to formulate and characterize binary and ternary coamorphous systems to evaluate their structural, thermal, and stability properties. Ten different mixtures (binary and ternary) were designed through a mixture design approach and prepared using a sustainable, one-step neat grinding process in a lab-scale vibrational mill.
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