Pressure effects on the phonon modes in beryllium chalcogenides

We report first-principles calculations of the structural, lattice-dynamical and dielectric properties for zinc-blend beryllium chalcogenides: BeS, BeSe, and BeTe. The ground state properties, such as the lattice structure and bulk modulus, are calculated using a plane wave pseudopotential method within the density functional theory. A linear response approach is employed in order to derive the high-frequency dielectric constants, Born effective charges and phonon frequencies. Furthermore, the pressure dependence of phonon modes is also detailed.     

Beryllium colorimetric detection for high speed monitoring of laboratory environments

The health consequences of beryllium (Be2+) exposure can be severe. Beryllium is responsible for a debilitating and potentially fatal lung disease, chronic beryllium disease (CBD) resulting from inhalation of beryllium particles. The US Code of Federal Register (CFR), 10 CFR 850, has established a limit of 0.2 microg beryllium/100 cm(2) as the maximum amount of beryllium allowable on surfaces to be released from beryllium work areas in Department of Energy (DOE) facilities. The analytical technique described herein reduces the time and cost of detecting beryllium on laboratory working surfaces substantially. The technique provides a positive colorimetric response to the presence of beryllium on a 30.5 cm x 30.5 cm (1 ft(2)) surface at a minimum detection of 0.2 microg/100 cm(2). The method has been validated to provide positive results for beryllium in the presence of excess iron, calcium, magnesium, copper, nickel, chromium and lead at concentrations 100 times that of beryllium and aluminum and uranium (UO2(2+)) at lesser concentrations. The colorimetric detection technique has also been validated to effectively detect solid forms of beryllium including Be(OH)2, BeCl2, BeSO4, beryllium metal and BeO.     

First-principles elastic constants and electronic structure of beryllium chalcogenides BeS, BeSe and BeTe

A theoretical study of structural, elastic and electronic properties of BeS, BeSe and BeTe is presented using the full-potential augmented plane-waves plus local orbitals (APW + lo) within density-functional theory (DFT). Results are obtained using both the local-density approximation (LDA) and the generalized gradient approximation (GGA) for the exchange-correlation potentials. The ground-state properties, like lattice constant, bulk modulus and its first derivative obtained from our calculations agree very well with experimental and other theoretical calculations. Band structures, and total valence charge densities including spin–orbit interaction are analyzed in great detail. The calculated values of the energy gaps, bandwidths, and spin–orbit splittings and the correct band degeneracies are compared to experimental and/or ab initio results. The calculated energy gap for the series of beryllium chalcogenides BeS, BeSe and BeTe is found to be indirect (Γ–X) and underestimated by about 40% for both LDA and PBE-GGA compared to experiment. We have also reported the elastic constants of these materials; the elastic constants have been derived by the stress–strain relation.     

Ground state properties and structural phase transition of beryllium chalcogenides

The ground state properties and the structural phase transformation of beryllium chalcogenides (BeS, BeSe, and BeTe) have been investigated using first principle full potential-linearized augmented plane wave method (FP-LAPW) within density functional theory. We used local density approximation with and without generalized gradient correction as well as the Engel Vosko’s GGA formalism to find band gap. From the obtained band structures, the electron (hole) valence and conduction effective masses are deduced. We have determined the full set of first-order elastic constant, which have not been established experimentally. We have also calculated the energy–volume relations for these compounds in the zinc-blende (B3) and the NiAs (B8) phases. Hence we have obtained the lattice parameters, bulk modulus, pressure derivative of bulk modulus and cohesive energy as well as structural transition pressure. The calculated ionicity parameter which expected from the charge density behavior compared well with the Phillips’ ionicity scale.     

旅游文化纪念品意象传达与符码转换设计研究

目的进行意象传达与符码转换在旅游文化纪念品设计中的应用研究。方法通过研究文化的组成方式、旅游文化纪念品的意象信息传达方式以及目前旅游文化纪念品在设计过程中所运用到的意象符码转换方法,提出将文化意涵搭载于纪念品中的"8 TRANS"旅游文化纪念品设计方法。以台湾兰屿乡为例,使用"8 TRANS"方法指导其旅游文化纪念品设计。结论依据基于意象传达与符码转换理论设计的旅游文化纪念品,较好地体现了地域文化特色,为旅游文化纪念品的设计研究提供了可供借鉴的思路与方法。     

Neutron spectrometry with a monolithic silicon telescope

A neutron spectrometer was set-up by coupling a polyethylene converter with a monolithic silicon telescope, consisting of a DeltaE and an E stage-detector (about 2 and 500 microm thick, respectively). The detection system was irradiated with monoenergetic neutrons at INFN-Laboratori Nazionali di Legnaro (Legnaro, Italy). The maximum detectable energy, imposed by the thickness of the E stage, is about 8 MeV for the present detector. The scatter plots of the energy deposited in the two stages were acquired using two independent electronic chains. The distributions of the recoil-protons are well-discriminated from those due to secondary electrons for energies above 0.350 MeV. The experimental spectra of the recoil-protons were compared with the results of Monte Carlo simulations using the FLUKA code. An analytical model that takes into account the geometrical structure of the silicon telescope was developed, validated and implemented in an unfolding code. The capability of reproducing continuous neutron spectra was investigated by irradiating the detector with neutrons from a thick beryllium target bombarded with protons. The measured spectra were compared with data taken from the literature. Satisfactory agreement was found.     

The influence of polymeric subcoats and pellet formulation on the release of chlorpheniramine maleate from enteric coated pellets

The influences of aqueous polymeric subcoats and pellet composition on the release properties of a highly water-soluble drug, chlorpheniramine maleate (CPM), from enteric coated pellets were investigated. Three different aqueous polymeric subcoats, Eudragit® RD 100, Eudragit® RS 30D, and Opadry® AMB, were applied to 10% w/w CPM-loaded pellets that were then enteric coated with Eudragit® L 30D-55. Observed drug release from the coated pellets in acidic media correlated with water vapor transmission rates derived for the subcoat films. The influence of pellet composition on retarding the release of CPM from enteric coated pellets in 0.1 N HCl was investigated. The rate of drug release was greatest for pellets prepared with lactose, microcrystalline cellulose, or dibasic calcium phosphate compared with pellets formulated with citric acid and microcrystalline cellulose. Citric acid reduced the pellet micro-environmental pH, decreasing the amount of drug leakage in 0.1 N HCL during the first 2 hr of dissolution. Polymer flocculation was observed when CPM was added to the Eudragit L 30D-55 dispersion. An adsorption isotherm was generated for mixtures of CPM and the polymer and the data were found to fit the Freundlich model for adsorption. Adsorption of CPM to the polymer decreased with the addition of citric acid to the drug-polymer mixtures.     

The Influence of Polymeric Subcoats and Pellet Formulation on the Release of Chlorpheniramine Maleate from Enteric Coated Pellets

Abstract

The influences of aqueous polymeric subcoats and pellet composition on the release properties of a highly water-soluble drug, chlorpheniramine maleate (CPM), from enteric coated pellets were investigated. Three different aqueous polymeric subcoats, Eudragit® RD 100, Eudragit® RS 30D, and Opadry® AMB, were applied to 10% w/w CPM-loaded pellets that were then enteric coated with Eudragit® L 30D-55. Observed drug release from the coated pellets in acidic media correlated with water vapor transmission rates derived for the subcoat films. The influence of pellet composition on retarding the release of CPM from enteric coated pellets in 0.1 N HCl was investigated. The rate of drug release was greatest for pellets prepared with lactose, microcrystalline cellulose, or dibasic calcium phosphate compared with pellets formulated with citric acid and microcrystalline cellulose. Citric acid reduced the pellet micro-environmental pH, decreasing the amount of drug leakage in 0.1 N HCL during the first 2 hr of dissolution. Polymer flocculation was observed when CPM was added to the Eudragit L 30D-55 dispersion. An adsorption isotherm was generated for mixtures of CPM and the polymer and the data were found to fit the Freundlich model for adsorption. Adsorption of CPM to the polymer decreased with the addition of citric acid to the drug-polymer mixtures.     

Methyl esterification assisted MALDI FTMS characterization of the orcokinin neuropeptide family

Methyl esterification of a peptide converts carboxylic acids, such as those present on the side chains of aspartic (D) and glutamic acid (E) as well as the free carboxyl terminus, to their corresponding methyl esters. This method has been applied to peptide and protein quantitation, de novo sequencing, and reduction of nonspecific binding in immobilized metal affinity chromatography for enrichment of phosphorylated peptides. In this study, we investigate the application of this derivatization reaction to the identification and characterization of the orcokinin neuropeptide family by screening and localizing the acidic side chains in peptides. The methyl esterification reaction drastically improves the fragmentation efficiency of modified orcokinins due to blockage of the aspartate selective cleavage pathway of the native orcokinin peptides. With the improved sustained off-resonance irradiation-collisional-induced dissociation spectra, the number and the locations of D and E residues are easily deduced. In addition, a side reaction that occurs at the carboxamide group of asparagine (N) is studied. The deamidation followed by subsequent methyl esterification reaction mechanism is proposed based on the study of an isotope-labeled standard N*FDEIDR. Reaction kinetics is studied by elevating the temperature from room temperature to 37 degrees C. The deamidation-methyl esterification products are greatly enhanced with elevated reaction temperature. Furthermore, we also explore the utility of this side reaction for rapid screening and characterization of C-terminally amidated neuropeptides. This derivatization reaction is applied to both in situ direct tissue neuropeptide analysis and the analysis of HPLC fractions from the separation of complex neuronal tissue extracts. Overall, this study reports a simple and effective method for profiling and localizing acidic amino acid residues (D/E), amide-containing residues (N/Q), and the C-terminal amide group in a peptide.     

Separation of beryllium (II) and aluminium (III) by solvent extraction using Bis-2 ethylhexyl phosphoric acid [HDEHP]

A simple and rapid method for the extraction is described for the separation of beryllium (II) and aluminium (111) from aqueous sulphate solution with Bis-2 ethylhexyl phosphoric acid (HDEHP) in toluene. A systematic study of the solvent extraction of chemically similar elements, beryllium (II) and aluminium (III) was carried out separately and it has been observed that under certain specific conditions beryllium (II) and aluminium (III) can be separated in a short period from their mixture using HDEHP as an extractant.     

铬及铍表面辉光放电清洗的研究

本文对He辉光放电清洗后的铬（Cr）表面杂质去除情况和铍（Be）样品真空出气量变化进行了实验研究。使用场发射扫描电镜和表面质量测量仪对比观察了不同放电参数处理后的Cr样品表面，结果显示在放电功率为200～300W、放电室压强为1～10Pa、清洗时间为10-20min时可较好地清除表面杂质和降低表面粗糙度；对辉光放电处理前后Be样品出气情况的实验对比结果显示，清洗后1h内总出气量约降为清洗前的1／6。     

Getting effective permittivity and permeability equal to −1 in 1D dielectric photonic crystals

J.B. Pendry (Phys. Rev. Lett., 86 3966 (2000)) mentioned the possibility of making perfect lenses using a slab of left-handed material with relative permeability, permittivity and optical index equal to ?1. This kind of metamaterial has been made in the microwaves domain, using metal and dielectric materials. On the other hand, it has been shown that lenses made using 2D dielectric photonic crystals can generate similar imaging properties, but until now, the image contains only a small part of the incident light. The paper shows, using a very simple analytical model, that 1D dielectric photonic crystals can generate left-handed materials with relative permeability, permittivity and optical index rigorously equal to ?1. Of course, such photonic crystals cannot be used to make perfect lenses, but this conclusion leads to the conjecture that 2D or 3D dielectric photonic crystals could be used in the visible region to realize superlenses.     

Thermal properties of BeX (X = S, Se and Te) compounds from ab initio quasi-harmonic method

We report ab initio calculations of the structure, elastic constants, lattice dynamics and thermodynamic properties of BeS, BeSe and BeTe compounds. The fully minimized structure parameters and elastic constants of BeS, BeSe and BeTe compounds are in good agreement with previous theoretical and experimental data. The density functional perturbations theory with quasi-harmonic approximation QHA methods are applied to determine the phonon dispersion relations, phonon density of states, phonon decomposition density of states, and thermal quantities. The computed thermodynamic properties such as Debye temperature is in agreement with the previous work. The vibrational entropy and constant-volume specific heat are shown for the first time.     

Surveys measuring risk exposure and the combining of results with other data

Because it makes possible the development and evaluation of highway safety countermeasures, research on accident factors forms one of O.N.S.E.R.'s chief objectives. This research can be carried out by identifying classes of “driver-vehicle-road-environment” combinations which show especially high risk. The risk is estimated from the number of traffic-accident involvements in a given class divided by the corresponding exposure value for the same class. The measure of exposure used here is driving distance expressed in vehicle-kilometers travelled which can be drawn from several types of surveys that O.N.S.E.R. undertakes in addition to the “Traffic Safety Monitor”. This latter is a periodical survey based on roadside observation of vehicles; the data obtained concern the environment, the weather at the observation post and vehicle types and speeds, as well as seat belt wearing. An exposure value survey was conducted at service stations during the year July 1973 to June 1974 which provided data on the vehicle and the driver. From these data and from the national file recording all injury-producing accidents, a study was carried out to determine the groups with the highest risk and to classify them. The aim was to rank the variables in terms of their impact upon risk, and for that purpose, a method was used which is similar to segmentation. The selection test was to choose the variable giving the greatest distance between the distribution of those involved in accidents and of exposed drivers. The present paper aims, on the one hand, at detailing the contents of several different traffic surveys giving an evaluation of vehicle-kilometers travelled and, on the other hand, at commenting on the results of the study of risk resulting from the comparison of various survey data.     

含铍碳化硅陶瓷先驱体聚铍碳硅烷的合成

以氢氧化铍、硫酸和乙酰丙酮为原料合成了乙酰丙酮铍(Be(acac)2).用乙酰丙酮铍和聚碳硅烷在加热的条件下反应一定时间,生成了树脂状的产物.反应中乙酰丙酮铍被消耗,生成产物熔点相对起始聚碳硅烷熔点升高.元素分析表明产物中含有铍元素,凝胶渗透色谱分析表明产物分子量相对起始聚碳硅烷向增大的方向发生变化.傅立叶红外光谱分析表明产物中主要存在如下结构:Si(CH3)2—CH2—,—Si(CH3)·(H)—CH2—.核磁共振1H-NMR分析表明反应物中Si—H键被消耗.根据分析结果推测了反应机理,Si—H键的消耗在产物的形成中起了重要作用.实验与理论分析表明先驱体产物是一种含铍聚碳硅烷,可以命名为聚铍碳硅烷(PBeCS).在1200℃的高温处理下产物作为先驱体可以转化为碳化硅陶瓷,元素分析表明碳化硅陶瓷中含有铍,是含铍碳化硅陶瓷.     

Influence of Eudragit NE 30 D blended with Eudragit L 30 D-55 on the release of phenylpropanolamine hydrochloride from coated pellets

The objective of this study was to investigate the influence of Eudragit® NE 30 D blended with Eudragit® L 30 D-55 on the release of phenylpropanolamine hydrochloride (PPA·HCl) from coated pellets. The miscibility of Eudragit NE 30 D/L 30 D-55 blends at different ratios was studied by using differential scanning calorimetry. The release of PPA·HCl from pellets coated with Eudragit NE 30 D alone and a Eudragit NE 30 D/L 30 D-55 blend, when stored at 40°C and 60°C, was determined by UV spectroscopy. Eudragit NE 30 D and Eudragit L 30 D-55 were miscible in ratios greater than 4:1. The curing time that was required to reach an equilibrium state decreased with the addition of Eudragit L 30 D-55. The presence of Eudragit L 30 D-55 also produced a film coating that was less tacky, and a dispersion of Eudragit NE 30 D containing Eudragit L 30 D-55 (5:1) was shown to prevent agglomeration of the pellets during coating and storage.     

Synthesis and Characterization of Methacrylic Derivatives as Drug Carriers

p-Methoxyphenyl methacrylate (ESMAA) was copolymerized with methacrylic acid (MAA) in dioxane solutions using azobisisobutyronitrile (AIBN) as an initiator. The compositions of the copolymers were assayed for the aromatic ester content by measuring the ultraviolet (UV)absorbance at 240 nm in dioxane. The monomer reactivity ratios r₁and r₂ for copolymerization of MAA(M₁)and ESMAA (M₂)are 1.52 and 3.01. The glass transition temperatures of MAA-ESMAA copolymers are almost equal to the weight-average values. The drug released from copolymers increases with the composition of methacrylic acid units. The releases of piroxicam from the MAA-co-ESMAA matrices containing 55 mole%MAA in pH 7.4 and 10 buffer solutions are steady for the whole release period, and release profiles matches closely to the disintegration profiles of the MAA-55 copolymer.     

Quantitative submonolayer spatial mapping of Arg-Gly-Asp-containing peptide organomercaptan gradients on gold with matrix-assisted laser desorption/ionization mass spectrometry

Peptides containing the tripeptide sequence Arg-Gly-Asp (RGD) have the ability to bind to members of the integrin superfamily of cell-surface receptors and direct cellular adhesion and haptotaxis. The goal of this work is the development of a rapid and effective method for the quantitative submonolayer spatial composition mapping of surfaces displaying molecular assemblies of RGD-containing organomercaptan peptides on a Au surface using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-MS). Quantitation of the RGD peptide is achieved by determining the peak intensity of the protonated molecular ion, (M + H)+, relative to the (M + H)+ peak for an internal standard, which is similar chemically but with glutamic acid (E) substituted for aspartic acid (D). Using optimized sample preparation procedures, a bilinear calibration was obtained between the quantitative peak intensity ratio and the mole fraction of the RGD-containing peptide. Quantitative compositions were determined with relative standard deviations of <10%, even in the presence of 10x spot-to-spot variations in the absolute signal intensities, by using this internal standard approach. This MALDI-MS quantitative analysis method was employed to probe variable-width two-component counterpropagating electrochemically generated gradients of the two peptides, prepared by coupling in-plane electrochemical potential gradients with the electrosorption reactions of organothiols to vary the composition laterally. The measured lateral composition profiles match the quasi-linear potential gradient model and yield profiles that overlap to a high degree of fidelity in potential space. Thus, MALDI-MS spatial composition mapping should become a powerful tool for the preparation of designed surfaces facilitating the study of cellular adhesion and motility and cell-cell interactions.     

Critical Concentrations for the Orientational Ordering of Molecular Hydrogen in 2D

Recent NMR studies of molecular hydrogen physisorbed on hexagonal boron nitride have been used to determine the phase diagram for the different types of orientational ordering in 2D. Long range pinwheel orientational ordering is only observed for ortho concentrations greater than a critical concentration of 69±3% for the commensurate solid structure. The increase in the critical concentration for long range ordering of quantum quadrupoles from 55% in 3D to 69% in 2D is discussed in terms of theories of the ordering that include treatments of the correlations between the ortho molecules.     

超滤膜除谷氨酸发酵液中菌体对等电提取收率的影响

采用截留分子量（ＭＷＣＯ）为６万和１万的卷式超滤膜,去除谷氨酸发酵液中的菌体,同时将发酵液中的固含量浓缩１０倍,再利用等电法提取谷氨酸。经超滤后的发酵液等电收率可达到９０．９６％,在提高等电收率的同时,菌体的去除还降低了污水的处理负荷。