Materials Literature
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Abstract The OH hydrogen abstraction and addition with ethylbenzene have been studied in the range 298–1000 K using quantum chemistry methods. The geometries and frequencies of the reactants, transition states, and products were performed at BH and HLYP/6‐311++G(d,p) level, single point calculation for all the station…
A modification of the mixed-aldol synthesis of dibenzylideneacetone, prepared from acetone and benzaldehyde, is described wherein acetone is replaced with a series of cyclic ketones with ring sizes of 5−7 carbons. The structural variations in the resulting conjugated ketones produce regular variations in the UV−vis ab…
In order to test the vibration-transit (V-T) theory of liquid dynamics, ab initio density functional theory (DFT) calculations of thermodynamic properties of Na and Cu are performed and compared with experimental data. The calculations are done for the crystal at $T=0$ and ${T}_{m}$, and for the liquid at ${T}_{m}$. T…
A theoretical study of dynamic effects on the rate-limiting step of the thymidylate synthase catalyzed reaction has been carried out by means of Grote-Hynes theory, successfully predicting the values of the recrossing effects for a chemical reaction that involves the transfer of a classical light particle. The transmi…
Singlet oxygen (1O2) is widely considered to be the predominant cytotoxic agent for photodynamic therapy (PDT), and the 1O2 quantum yield is a key characteristic for the newly developed photosensitizers. In this study, 1O2 generation from the HiPorfin is monitored indirectly by using the fluorescence probe Singlet Oxy…
We explore the formation of "floating" two-dimensional colloidal crystals above weakly attractive surfaces that are either positively or negatively charged. In particular, we studied crystal formation above positively charged poly-L-lysine-poly(ethylene glycol) surfaces with and without short single-stranded DNA and a…
Abstract Zeolites of type NaY synthesised by use of seed‐solution and zeolite X‐seeds to initialise the crystallisation were compared. A different homogeneity of the internal framework structure related to the Si/Al ratio was expected. Thus, the formation of closed bulk mesopores should be influenced during treatment…
Introduction: The aim of contemporary medicine is not only a successful course of the operation, leading to improvement of the patient's health status, but also its satisfactory cosmetic effect.Single incision laparoscopic surgery (SILS) is a new advance wherein laparoscopy is carried out through a small incision hidd…
Singlet oxygen (1O2) can be generated in a living cell upon focused laser irradiation of an intracellular photosensitizer. In this study, 1O2 generation from the plasma membrane-targeted protoporphyrin IX (PpIX) in human nasopharyngeal carcinoma CNE2 cells was monitored indirectly by using the fluorescence probe Singl…
In this paper we introduce four ${Z}_{2}$ topological indices ${\ensuremath{\zeta}}_{\mathbit{k}}=0,1$ at $\mathbit{k}=(0,0)$, $(0,\ensuremath{\pi})$, $(\ensuremath{\pi},0)$, and $(\ensuremath{\pi},\ensuremath{\pi})$ characterizing 16 universal classes of two-dimensional superconducting states that have translation sy…
Zeolites are being used extensively in industrial processes such as heterogeneous catalysts and adsorbents. Nano-crystalline zeolites have large external surface areas as well as low diffusion resistance. Accordingly, control of the crystal size and the tailoring the mesopores and macropores among the crystals are imp…
In this paper, we develop and implement high-resolution, computationally efficient multi-cell finite-element (FE) models of metallic foams in order to more accurately investigate the collapse behaviour of these emerging materials. The main objective is to investigate the effect of morphological imperfections at the ce…
Metal complex formation of the two cyclic triamines 6-methyl-1,4-diazepan-6-amine (MeL(a)) and all-cis-2,4,6-trimethylcyclohexane-1,3,5-triamine (Me(3)tach) was studied. The structure of the free ligands (H(x)MeL(a))(x+) and H(x)Me(3)tach(x+) (0 ≤ x ≤ 3) was investigated by pH-dependent NMR spectroscopy and X-ray diff…
A comprehensive multinuclear solid-state magnetic resonance study of In(I)- and Ag(I)bis(imino)pyridine systems is presented. Solid-state 115 In and 109 Ag NMR experiments are utilized to probe the metal cation centers, which are very weakly coordinated to the bis(imino)pyridine ligands. Along with solid-state 15 N NM…
BACKGROUND: The endosymbiotic birth of organelles is accompanied by massive transfer of endosymbiont genes to the eukaryotic host nucleus. In the centric diatom Thalassiosira pseudonana the Psb28 protein is encoded in the plastid genome while a second version is nuclear-encoded and possesses a bipartite N-terminal pre…
PKU-10, a germanate with the formula [(CH(3))(4)N](3)Ge(11)O(19)(OH)(9), is synthesized under hydrothermal conditions, and its structure is determined by single-crystal X-ray diffraction data. PKU-10 possesses 3D intersected 13-ring channels and presents a new 6-connectedness linkage mode of the Ge(7) cluster, T(3)P(2…
We describe the first investigations of the complete engineering model of the optical metrology system (OMS), a key subsystem of the LISA Pathfinder science mission to space. The latter itself is a technological precursor mission to LISA, a spaceborne gravitational wave detector. At its core, the OMS consists of four…
The as-grown structure of electrochemically synthesized titania nanotube arrays is investigated by scanning electron microscope (SEM) in combination with transmission electron microscope (TEM) as well as X-ray diffraction (XRD). The analysis reveals a preferred growth direction of the nanotubes relative to the substra…
The effect of particle size on combustion efficiency is an important factor in combustion research. Gas-phase aluminum clusters in oxidizing environment constitute a relatively simple and extensively studied system. In an attempt to underscore the correlation between electronic structure, finite size effect, and react…
The insides of cells are crowded. Fig. 1A is a dramatic representation of the fact that macromolecules occupy 30% of the cellular volume, with their concentrations reaching 300 g/L (1). For comparison, the concentration of protein in an egg white is only one third of that value. However, almost everything we know abou…