Materials Literature
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The effects of water and catalyst (formic acid) concentrations and temperature on tetraethoxysilane hydrolysis, followed by gel formation, have been studied. The catalyst concentration is found to have a stronger effect on the variation rate of dynamic viscosity of the system compared to the effect of water concentrat…
Abstract We have fabricated novel controlled‐geometry samples for the laser‐heated diamond‐anvil cell (LHDAC) in which a transparent oxide layer (SiO2) is sandwiched between two laser‐absorbing layers (Ni) in a single, cohesive sample. The samples were mass manufactured (>104 samples) using a combination of physical v…
A novel heteropoly acid (HPA)/nitrogen functionalized onion-like carbon (NOLC) hybrid catalyst was synthesized through supramolecular (electrostatic and hydrogen bond) interactions between the two components. The chemical structure and acid strength of the HPA/NOLC hybrid have been fully characterized by thermogravime…
The prediction of protein folding rates is a necessary step towards understanding the principles of protein folding. Due to the increasing amount of experimental data, numerous protein folding models and predictors of protein folding rates have been developed in the last decade. The problem has also attracted the atte…
Drimia maritima (L.) is an endemic plant of Iran that have been used for varies disease such as dropsy, asthma and cancer since ancient time [1]. Bufadienolides are the main constituents of this plant. Proscillaridin is one of the bufadienolides that possess important biological activities such as antitumor, and T- ce…
In the nuclear industry, safely managing spent fuels discharged from PWRs (pressurized water reactors) is an ongoing challenge. In this paper, a synergistic coupling of innovative small long-cycle PWRs and advanced sodium-cooled fast reactors is considered to reduce the accumulated TRUs (transuranics) by transmuting t…
A novel Zintl phase structure type, Eu7Cd4Sb8-xAsx (x = 2, 3, 4, and 5), with the general formula Eu7Cd4Pn8 (Pn = mixed occupancy Sb and As), was synthesized by molten tin flux reaction. Its structure was determined using single-crystal X-ray diffraction methods. This structure type is only preserved for 2 ≤ x ≤ 5 und…
Halogen bonding (XB) strength assesses the ability of an electron-enriched group to be involved in complexes with polarizable electrophilic halogenated or diatomic halogen molecules. Here, we report QSPR models of XB of particular relevance for an efficient screening of large sets of compounds. The basicity is describ…
본 연구는 신갈나무, 소나무, 낙엽송 목분을 이용하여 flat-die pelletizer로 제조한 목재펠릿의 연료적 특성에 대한 목분 함수율 및 크기의 영향을 조사하기 위하여 수행하였다. 각 수종별 화학적 조성을 조사한 결과, 회분 함량은 신갈나무에서, 리그닌 함량은 소나무와 낙엽송에서 높은 것으로 조사되었다. 각 목재펠릿의 연료적 특성은 펠릿 함수율의 경우 소나무에서 가장 낮았으며, 겉보기밀도는 낙엽송, 소나무, 신갈나무 순으로, 내구성은 낙엽송, 신갈나무, 소나무 순이었다. 각 수종별 목분 함수율에 따른 목재펠릿 함수율, 겉보기밀도, 내구성을 측정한 결과, 목분…
BACKGROUND: The formation of intramolecular hydrogen bonds (IHBs) may induce the remarkable changes in molecular physicochemical properties. Within the framework of the extended solvent-contact model, we investigate the effect of implementing the IHB interactions on the accuracy in estimating the molecular hydration f…
The ligands containing chelating as well as exodentate functional groups were shown to form functional coordination polymers and heterometallic gels.
Titanium β-type alloys attract attention as biomaterials for dental applications. The aim of this work was the synthesis of nanostructured β type Ti23Mo-x wt % 45S5 Bioglass (x = 0, 3 and 10) composites by mechanical alloying and powder metallurgy methods and their characterization. The crystallization of the amorphou…
Yttrium-doped silicate glasses with bioactive properties (YBGs) have potential applications in radiotherapy. The effect of gradual release of sodium and calcium from a YBG composition, modeling the ion-exchange processes occurring upon contact with an aqueous biological medium, was investigated through molecular dynam…
Introduction: Bone diseases, aging and traumas can cause bone loss and lead to bone defects. Treatment of bone defects is challenging, requiring chirurgical procedures. Bone grafts are widely used for bone replacement, but they are limited and expensive. Due to bone graft limitations, natural, semi-synthetic, syntheti…
M x Co 1−x Sb 2 O 4 (M = Mn, Fe) shows rotation of magnetic moments within the structure, tuneable with increasing x .
Low-band-gap push-pull copolymers are promising donor materials for bulk heterojunction organic solar cells. One of the best push-pull copolymers are composed of bridged dithiophene pushing units and benzothiadiazole (BT) pulling units, but BT has no proper position to accommodate alkyl side chains introduced to enhan…
The purpose of this paper is to investigate several analytical methods of solving first passage (FP) problem for the Rouse model, a simplest model of a polymer chain. We show that this problem has to be treated as a multi-dimensional Kramers' problem, which presents rich and unexpected behavior. We first perform direc…
In this work, the authors developed hot-wire assisted atomic layer deposition (HWALD) to deposit tungsten (W) with a tungsten filament heated up to 1700–2000 °C. Atomic hydrogen (at-H) was generated by dissociation of molecular hydrogen (H2), which reacted with WF6 at the substrate to deposit W. The growth behavior wa…
The five new colorimetric chemodosimeters sense cyanide selectively and sensitively in aqueous and organic media via a nucleophilic addition mechanism exhibiting quantitative structure–reactivity correlation.
A universal platform with Mn doping and hyaluronic acid (HA) modification, based on mesoporous silica (mSiO 2 ), was designed and used as a basic multifunctional material with magnetic resonance (MR) imaging. Furthermore, we added flexible functions through the addition of functional molecules. Specially, two typical…