STUDIES OF MULTICOMPONENT COMPLEX OXIDE CATALYSTS FOR OXIDATIVE COUPLING OF METHANE VI.SURFACE BASICITY AND SURFACE ACTIVE OXYGEN SPECIES OF LiTi_xLa_(1-x)O_2 λ MULTICOMPONENT OXIDE CATALYSTS

The surface basicity of Ti-La-Li multicoinponent oxides has been investigated by means of CO2-TPD. The experiment results show that C2 (C2H6 C2H4) selectivity is related to surface basic strength. The surface active oxygen species have also been characterized by means of XPS, O2-TPD and so on. It has been indicated that C2 selectivity and CH4 conversion are correlated with lattice oxygen and the adsorbed oxygen on the surface of the catalyst respectively In the O2-TPD experiments, it has also been found that there are three kinds of oxygen species on the surface of the series catalvsts, which are a (100℃ 750℃) Among them α-oxvgen causes deep oxidation whileβand γ oxygen species are related to oxidalive coupling of methane (OCM).     

Technological quality determination of pharmaceutical disintegrant by DSC cooling and DSC photovisual

A number of disintegrants are available on the market. They improve tablets’ disintegration. The objective of this work is the comparison of the technological quality parameters of disintegrants using different analytical techniques. Three batches of disintegrants and their binary mixtures (water:disintegrants) were investigated. Cooling experiments were used from –30 up to 200°C. The data obtained showed calorimetric differences between the samples. In the binary mixtures water showed different crystallization behaviour from the one found in the literature. According to the results DSC technique helped the quality control of different disintegrants.     

Thermodynamic characterization of different actin isoforms

Summary The thermodynamic properties of the cardiac and skeletal a-actin isoforms were studied to characterize the molecular bases of the functional differences between them with the method of differential scanning calorimetry (DSC). The thermal properties of the actin filaments were described in the presence of calcium and magnesium ions as well. Based on the calculated free energy changes the α-cardiac actin filaments appeared to be more stable in its physiologically more relevant, magnesium saturated form. The magnesium saturated form of the α-cardiac actin filaments seemed to be more stable compared to the calcium saturated form of it. The enthalpy and entropy changes could differentiate between the α-cardiac and α-skeletal actin isoforms and between the calcium and magnesium saturated cardiac actin isoforms as well. Our results can demonstrate that the few differences between the amino acid sequences of the α-actin isoforms have an influence on the thermal properties and maybe on the function of these proteins as well.     

Hydrothermal Synthesis and Structural Characterization of a Novel Organic—Inorganic Hybrid Compound {[Cu（2,2′—bpy）2]2—Mo8O26}

A novel organic-inorganic hybrid compound {[Cu(2,2′-bpy)2]2Mo8O26} has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the orthorhombic space group, Pna21,with a=2.4164(5),b=1.8281(4),c=1.1877(2)nm,V=5.247(2)nm^3,Z=4,and final R1=0.0331,wR2=0.0727.The structure consists of discrete {[Cu(2,2′-bpy)2]2Mo8O26} clusters,constructed from a β-octamolybdate subunit[Mo8O26]^4- covalently bonded to two [Cu(2,2′-bpy)2]^2 coordination complex cations via bridging oxo groups.In addition,the spectroscopic properties and thernal behavior of this compound have been investigated by spectroscopic techniques (UV-vis,IR,Raman and EPR spectra) and TG analysis.     

Molecular basis for antifreeze activity difference of two insect antifreeze protein isoforms

The insect spruce budworm(Choristoneura fumiferana) produces antifreeze protein(AFP) to assist in the protection of the over-wintering larval stage and contains multiple isoforms. Structures for two isoforms,known as CfAFP-501 and CfAFP-337,show that both possess similar left-handed β-helical structure,although thermal hysteresis activity of the longer isoform CfAFP-501 is three times that of CfAFP-337. The markedly enhanced activity of CfAFP-501 is not proportional to,and cannot be simply accounted for,by the increased ice-binding site resulting from the two extra coils in CfAFP-501. In or-der to investigate the molecular basis for the activity difference and gain better understanding of AFPs in general,we have employed several different computational methods to systematically study the structural properties and ice interactions of the AFPs and their deletion models. In the context of intact AFPs,a majority of the coils in CfAFP-501 has better ice interaction and causes stronger ice lattice disruption than CfAFP-337,strongly suggesting a cooperative or synergistic effect among β-helical coils. The synergistic effect would play a critical role and make significant contributions to the anti-freeze activity β-helical antifreeze proteins. This is the first time that synergistic effect and its implica-tion for antifreeze activity are reported for β-helical antifreeze proteins.     

Do proficiency tests always verify laboratories’ performance? The case of FAPAS PT 0270

In this paper, the case of FAPAS PT 0270 “Doramectin and Oxfendazole in Sheep Liver” is discussed. During evaluation of the data received from participants (determination of total, oxidised oxfendazole residue and calculation of the sum of oxfendazole and oxfendazole sulfone residues), significant differences were observed between the results obtained by use of two analytical approaches. This phenomenon can be explained by the route of oxfendazole metabolism, which results in the presence of fenbendazole in the sample. This was not predicted by the provider; consequently, not all the necessary tests on the material were conducted. Due to the high uncertainty of the z-scores in this test, the results of the PT cannot be used for purposes of evaluation, and the benefits of participation in PT 0270 are questionable.     

镍钴复合氧化物的制备和析氧活性

用浸碱热分解法制备了具有较高析氧活性和稳定性的复合氧化物ＮｉＣｏ＿２Ｏ＿４。考察了涂液成分、热分解温度和涂覆次数对ＮｉＣｏ＿２Ｏ＿４析氧活性的影响；测定了氧在ＮｉＣｏ＿２Ｏ＿４从电极上的稳态电化学行为。     

Investigation of photoinduced electron transfer in model system of vitamin E-duroquinone by time-dependent density functional theory

Photoinduced electron transfer of the model system composed of vitamin E and duroquinone has been investigated using time-dependent density functional theory. Calculations for the excited states tell that the photoexcitation of the model system can directly yield the charge transfer states in which the vitamin E moiety is positively charged but the duroquinone moiety is negatively charged. Our theoretical investigations indicate that the second charge transfer state of the model system can also be produced through the decay of higher locally excited state S(4). Since S(4) state in the model system corresponds to S(1) state of the isolated duroquinone used as a model for peroxyl radical, and S(2) state has the character of electron transfer from the tertiary amine group of the vitamin E moiety to the duroquinone moiety, the decay from S(4) to S(2) corresponds to the dynamic process following the photoexcitation of the duroquinone moiety of the model system, i.e., the initial stage of antioxidant reaction of vitamin E. Calculations of the kinetic parameters for the electron transfer have been carried out in the framework of the Marcus-Jortner-Levich formalism. Our calculations confirm that the electron transfer from S(4) to S(2) possesses the character of the inverted regime and the barrier is negligibly small.     

Reduced Overlap Population Analysis for Triosmium Clusters

The use of reduced overlap population (ROP) analysis from EHMO calculations as a means to gauge the presence of metal–metal bonds in triosmium clusters is examined. A number of triosmium clusters containing bridging ligands have been used as test cases, including the bis-ethoxy bridged cluster Os₃(μ-OEt)₂(CO)₁₀, 1b, and some of its group 15 derivatives Os₃(μ-OEt)₂(CO)₉(EPh₃), 2. These latter clusters are newly synthesized and have been characterized completely, including by single-crystal X-ray crystallographic studies. In honour of Professor Dieter Fenske on his 65th birthday.     

110K铋基超导相形成的组成条件

Bi-Sr-Ca-Cu-O超导材料中存在110K和80K2个超导相。其组成是Bi_2Sr_2Ca_2Cu_3O_y和Bi_2Sr_2CaCu_2O。但迄今为止,在按2223组成比合成的未掺杂Bi系超导材料中从未得到过纯的110K相,也未见过组成为2223,零电阻温度在100K以上材料的报道。为了探索形成110K相的最佳条件,本文以2223组成比为参考,合成了5个系列材料:Bi_xSr_2Ca_2Cu_3O_y,Bi_2Sr_xCa_2Cu_3O_y,Bi_2Sr_2Ca_xCu_3O_y,Bi_2Sr_2Ca_2Cu_xO_y,Bi_i Sr_uCa_yCu_wO_s。