Materials Literature
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New micro three-dimensional (3D) scaffolds using biobased unsaturated polyesters (UPs) were prepared by microstereo-thermal-lithography (μSTLG). This advanced processing technique offers indubitable advantages over traditional printing methods. The accuracy and roughness of the 3D structures were evaluated by scanning…
The excited state photophysical properties of the 1,3,5-triarylpyrazolines 1–4 were studied in methanol and 1:1 (v/v) methanol–water, as well as 1:4 (v/v) methanol–water and water by fluorescence spectroscopy. The molecules 2–4 incorporate a “receptor1-fluorophore-spacer-receptor2” format while 1 is a reference compou…
The acyclic ligands H4C3octapa and p-SCN-Bn-H4C3octapa were synthesized for the first time, using nosyl protection chemistry. These new ligands were compared to the previously studied ligands H4octapa and p-SCN-Bn-H4octapa to determine the extent to which the addition of a single carbon atom to the backbone of the lig…
Various docetaxel (DTX)-loaded nanoparticle delivery systems have been designed to enhance the solubility and pharmacological effects of DTX. However, the toxicity changes of these nano-modified DTX (nano-DTX) are not yet clear enough. Herein, to compare the reproductive toxicity between conventional DTX and nano-DTX,…
Accurate spin-rotation and absolute shielding constants in a series of XF molecules (X = (11)B, (27)Al, (69)Ga, (115)In, and (205)Tl) determined using high-level ab initio coupled-cluster and four-component relativistic density-functional theory (DFT) calculations are presented. The accuracy of the results is establis…
Density functional theory calculations were performed on [Ru(L)3]2+ (L = 1,10-phenanthroline, 2,2′-bipyridine, 2,2′-bipyrimidine, 2,2′-bipyrazine) complexes by employing B3PW91 functional and LAN2DZ basis set to predict their spectra and nonlinear optical response. The geometrical and coordination energy studies expla…
Crystalline complexes of native cyclodextrins are of high interest due to their possible applications in various branches of industry. The encapsulation of active compounds by cyclodextrins results in a change of their properties, e.g. water solubility and bioavailability. Currently available native cyclodextrins incl…
The ommatidium of the butterfly's afocal apposition eye exhibits angular performance that can only be achieved by transforming the diffraction pattern of its corneal lens into the fundamental mode of its rhabdom waveguide. A graded index model of the ommatidium has been proposed and verified but the efforts to extract…
The fracture toughness of a range of thermoset polyester paints with different cross-link densities has been studied, using the essential work of fracture (EWF) method. The glass transition temperature, T g , of each of the materials was measured using differential scanning calorimetry, and found to lie between 8 and…
Almost all types of solar cells suffer from a decreased power output when the incident light is tilted away from normal since the incident intensity generally follows a cosine law of the incident angle. Making use of the blue shift nature of the Bragg position of a TiO2 nanotube photonic crystal (NT PC) under oblique…
To compete in the archive and backup industries, holographic data storage must be highly competitive in four critical areas: total cost of ownership (TCO), cost/TB, capacity/footprint, and transfer rate. New holographic technology advancements by Akonia Holographics have enabled the potential for ultra-high capacity h…
Organic molecules are potential candidates for electrode materials of rechargeable lithium batteries because of their beneficial properties such as cost-effective, environmentally friendly, and sustainable. Until now, the efficient theoretical method to study the organic electrode materials remains elusive. In this pa…
Ionic liquid-vacuum outer atomic surfaces can be created that are remarkably different from the bulk composition. In this communication we demonstrate, using low-energy ion scattering (LEIS), that for ionic liquid mixtures the outer atomic surface shows significantly more atoms from anions with weaker cation-anion int…
Highly-flexible, ITO-free dye-sensitized solar cells (DSSCs) are fabricated in a simple, all-solution-based, facile, and controllable way. A double mesh structure is applied to DSSCs, and the design principles, especially scale parameters, are analyzed delicately to ensure the power conversion efficiency and mechanica…
The effects of exohedral moieties and endohedral metal clusters on the isomerization of M3N@I(h)-C80 products from the Prato reaction through [1,5]-sigmatropic rearrangement were systematically investigated by using three types of fulleropyrrolidine derivatives and four different endohedral metal clusters. As a result…
Structures and transport behaviors around the ionomer–catalyst interface in polymer electrolyte membrane fuel cells (PEMFCs) have aroused great research interests in recent years. Herein, classical molecular dynamics simulation method is used to investigate the interfacial self-assembly phenomena of three fully hydrat…
A series of soluble squaraine derivatives has been designed and developed as a donor material for solution-processible organic photovoltaic cells. In combination with [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) as an acceptor, we obtained a power conversion efficiency of 4.86% from bulk-heterojunction photovol…
This paper reports a simplified and compact mechanical scheme designed for providing alternatively high flux or high spectral resolution from a monochromator for the 2 - 14 keV X-ray range in a stationary spot at a sample. The example case treats a bending magnet source at the Elettra storage ring. The properties of t…
Amyloid peptides are considered to be the main contributor for the membrane disruption related to the pathogenesis of degenerative diseases. The variation of amino acids at the carboxylic terminus of amyloid peptide has revealed significant effects on the modulation of abnormal assemblies of amyloid peptides. In this…
We compare six lithium potentials by examining their ability to predict coexistence properties and liquid structure using molecular dynamics. All potentials are of the embedded-atom method type. The coexistence properties we focus on are the melting curve, vapor pressure, saturated liquid density, and vapor-liquid sur…