Spectrophotometric and Fluorimetric Methods for the Determination of Methoxamine Hc1 in Bulk Drugs and in Ampoules

Abstract

Three simple and sensitive methods for the determination of methoxamine HCl in bulk drugs and in ampoules were proposed. The methods are based on the oxidation of methoxamine HCl by sodium periodate, potassium permanganate and cerium(IV)sulphate. The first two reactions are followed spectrophotometrically by measuring the absorbance at 352 &; 608 nm for the periodate and permanganate methods, respectively. The third method is based on measuring the relative fluorescence intensity of Ce(III)arising from Ce(IV) at 348 nm with excitation wavelength at 257 nm. The different experimental parameters were carefully studied. Under the described conditions the proposed methods were applicable over the concentration ranges 10.0 - 40.0, 2.0-10.0 and 0.05-0.30 μg ml^?1 for the three methods, respectively.     

HFC/HC混合工质共沸点的推算

HFC/HC混合工质的气液性平衡实验研究结果表明,该类型混合工质大多存在共沸现象。根据形成共沸点的热力学条件,以PR状态方程结合vdW混合法则,利用建立的二元相互作用系数k_ij差值关联模型,对10种HFCs工质（HFC23、HFC32、HFC125、HFC143a、HFC134a、HFC152a、HFC227ea、HFC236fa、HFC236ea、HFC245fa）与3种HCs工质（HC290、HC600a、HC600）相互组合而成的30种HFC/HC混合工质进行了共沸点判断和共沸点性质推算,并与已有气液相平衡实验数据的体系进行对比。结果表明该方法可用于推算HFC/HC混合工质共沸点性质。     

Hamilton cycle and Hamilton path extendability of Cayley graphs on abelian groups

In this paper the concepts of Hamilton cycle (HC) and Hamilton path (HP) extendability are introduced. A connected graph Γ is n‐HC‐extendable if it contains a path of length n and if every such path is contained in some Hamilton cycle of Γ. Similarly, Γ is weakly n‐HP‐extendable if it contains a path of length n and if every such path is contained in some Hamilton path of Γ. Moreover, Γ is strongly n‐HP‐extendable if it contains a path of length n and if for every such path P there is a Hamilton path of Γ starting with P. These concepts are then studied for the class of connected Cayley graphs on abelian groups. It is proved that every connected Cayley graph on an abelian group of order at least three is 2‐HC‐extendable and a complete classification of 3‐HC‐extendable connected Cayley graphs of abelian groups is obtained. Moreover, it is proved that every connected Cayley graph on an abelian group of order at least five is weakly 4‐HP‐extendable. Copyright © 2011 Wiley Periodicals, Inc. J Graph Theory     

空调循环中HCs/阻燃剂混合工质的泄漏特性

结合空调循环分析了非共沸HCs/阻燃剂混合工质的泄漏特性,包括一定泄漏率下引起最大组成变化的泄漏点和工质相态、泄漏率-总组成变化关系、泄漏引起的组成变化对HCs/阻燃剂混合工质安全性与循环性能的影响分析。     

Crystal structure of 1,3-diphenyladamantane and trans-1,4-diphenylcyclohexane: torsion angles about C-Ph bonds in α,ω-diphenyl(alicyclic hydrocarbon)

The orientation of the two phenyl rings in α,ω-diphenylalkanes with rigid carbon skeletons is investigated through characterization of the crystal and molecular structures of 1,3-diphenyladamantane (1) and trans-1,4-diphenylcyclohexane (2). The two phenyl rings in 1 have different conformations about the C-Ph bonds, with torsion angles between the phenyl ring and the C1-C2-C3 plane of 0.65 and 71.7°. A hydrogen atom at the meta-position of one of the phenyl rings contact intermolecularly with a tertiary hydrogen atom at C5 of adamantane within the sum of van der Waals radii. Due to the helical conformation, the short CH?HC contacts (2.231 Å) construct supramolecular triple helical strands. In contrast to 1, the phenyl rings in 2 have identical configurations, with equatorial position and bisected conformation as expected from density functional calculations. The molecular packing of 2 exhibits a herringbone pattern of (aromatic)C-H?π contacts.     

Linear and nonlinear feature of electronic excitation energy in carbon chains HC2n+1H and HC2nH

Density functional theory has been used to investigate the geometries, bonding, and vibrational frequencies of HC_2nH (n = 1–13) and HC_2n+1H (n = 2–12). Vertical excitation energies for the X¹Σ → 1¹Σ transition of HC_2nH (n = 1–5) and for the X³Σ → 1³Σ transition of HC_2n+1H (n = 2–5) have been calculated by the time‐dependent density functional theory and ab initio second‐order multiconfiguration perturbation method, respectively. On the basis of the present calculations, explicit expressions for the size dependence of excitation energy in linear polyynes HC_2n+1H and HC_2n+1H are suggested. Such analytical λ ? n relationships show good agreement with experimental observations. Theoretical investigations of relevant excited states demonstrate that distinct linear and nonlinear spectroscopic features in such polyynes can be ascribed to similarity and difference in bonding between the ground and excited states in HC_2n+1H and HC_2nH. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004     

Pilot-plant for NOx, SO2 and HC removal from flue-gas of municipal waste incinerator by electron beam irradiation

According to the basic research performed using a small size reactor at TRCRE of JAERI, the electron beam irradiation process was proved to be very effective for NO_x, SO₂ and HC removals from flue-gas of municipal waste incinerators. Based on this result, a pilot-plant was constructed for the demonstration of NO_x, SO₂ and HC removal performance using electron accelerator of maximum energy 0.95 MeV and maximum power 15kW.The pilot-plant was constructed at Matsudo City waste Disposal Center. The flue-gas of 1,000 Nm³/hr is guided from the waste incinerator flue-gas line of 30,000Nm³/hr to the pilot-plant to be processed by spraying Ca(OH)₂ slurry or powder and irradiation with high-energy electron beam of the accelerator. NO_x, SO₂ and HC are removed simultaneously from the flue-gas by the enhanced reaction with Ca (OH)₂ under irradiation.A brief explanation of the pilot-plant and preliminary results of the experiments are introduced in this paper.     

Development of an Extractive Continuous Monitor For Hydrogen Chloride (Hc1) Analyses of Coal-Derived Process Streams

Abstract

An HC1 monitor has been developed at the Morgantown Energy Technology Center (METC) for the extractive analysis of hightemperature/high-pressure, coal-derived process streams. This monitor is capable of HC1 concentration measurement in the presence of all known coal gasification products. Detection is based on the ability of HC1 to protonate a high boiling alcohol (solvent) and, thus, enhance the conductivity of the alcohol. Conductivity is then related to HC1 concentration. the observed high degree of sensitivity that can be achieved is a result of analyte preconcentration prior to the conductivity measurement due to the apparently fast dissolution rate of HC1 into the alcohol solvent coupled with a large analyte gas-to-solvent ratio. the linear dynamic range of the HC1 monitor is two orders of magnitude. However, since the degree of preconcentration can be adjusted by changing either the solvent or analyte gas flow rate, the HC1 monitor has an extended operating range of six orders of magnitude (ppb lower limit, percentage upper limit). the practical lower detection limit for the HC1 monitor is estimated to be 50 ppbv. Precision is good with typical relative average deviations of about three parts per hundred. Although the HC1 monitoring method was originally designed for the analysis of gasification process streams, the system can be adapted for use with a variety of process gas streams.     

Is the DPT tautomerization of the long A·G Watson–Crick DNA base mispair a source of the adenine and guanine mutagenic tautomers? A QM and QTAIM response to the biologically important question

Herein, we first address the question posed in the title by establishing the tautomerization trajectory via the double proton transfer of the adenine·guanine (A·G) DNA base mispair formed by the canonical tautomers of the A and G bases into the A*·G* DNA base mispair, involving mutagenic tautomers, with the use of the quantum‐mechanical calculations and quantum theory of atoms in molecules (QTAIM). It was detected that the A·G ? A*·G* tautomerization proceeds through the asynchronous concerted mechanism. It was revealed that the A·G base mispair is stabilized by the N6H···O6 (5.68) and N1H···N1 (6.51) hydrogen bonds (H‐bonds) and the N2H···HC2 dihydrogen bond (DH‐bond) (0.68 kcal·mol^?1), whereas the A*·G* base mispair—by the O6H···N6 (10.88), N1H···N1 (7.01) and C2H···N2 H‐bonds (0.42 kcal·mol^?1). The N2H···HC2 DH‐bond smoothly and without bifurcation transforms into the C2H···N2 H‐bond at the IRC = ?10.07 Bohr in the course of the A·G ? A*·G* tautomerization. Using the sweeps of the energies of the intermolecular H‐bonds, it was observed that the N6H···O6 H‐bond is anticooperative to the two others—N1H···N1 and N2H···HC2 in the A·G base mispair, while the latters are significantly cooperative, mutually strengthening each other. In opposite, all three O6H···N6, N1H···N1, and C2H···N2 H‐bonds are cooperative in the A*·G* base mispair. All in all, we established the dynamical instability of the А*·G* base mispair with a short lifetime (4.83·10^?14 s), enabling it not to be deemed feasible source of the A* and G* mutagenic tautomers of the DNA bases. The small lifetime of the А*·G* base mispair is predetermined by the negative value of the Gibbs free energy for the A*·G* → A·G transition. Moreover, all of the six low‐frequency intermolecular vibrations cannot develop during this lifetime that additionally confirms the aforementioned results. Thus, the A*·G* base mispair cannot be considered as a source of the mutagenic tautomers of the DNA bases, as the A·G base mispair dissociates during DNA replication exceptionally into the A and G monomers in the canonical tautomeric form. © 2013 Wiley Periodicals, Inc.     

第一性原理研究HC(NH2)2PbI3钙钛矿(三方相VS六方相)的结构及光电特性

采用第一性原理,研究三方及六方相FAPbI₃（FA=HC（NH₂）₂⁺）钙钛矿的结构及光电特性.结果表明,FAPbI₃钙钛矿由三方到六方的形变能够扭转PbI₃骨架,改变Pb-I键合特性,进而改变其禁带宽度值.两种晶体均属于直接带隙半导体,三方相FAPbI₃的直接带隙点位于布里渊区Z（0,0,0.5）对称点,具有较为理想的约1.50 eV的禁带宽度;六方相FAPbI₃的直接带隙点位于Γ（0,0,0）对称点,具有约2.50 eV的禁带宽度.FA离子不直接参与电子跃迁过程,仅仅充当电荷供体为PbI₃骨架提供超过0.7 e的电荷.相比于六方相晶体,三方相FAPbI₃具有更小的载流子有效质量,吸收光谱发生了显著的红移,并且其吸收特性优于六方相FAPbI₃和四方相MAPbI₃（MA=CH₃NH₃⁺）钙钛矿.六方相FAPbI₃比三方相晶系更稳定,FA和PbI₃骨架之间的结合作用力强于MA和PbI₃骨架之间的作用力.