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81.
Manfred Leisch 《Mikrochimica acta》1992,107(3-6):95-104
The atom probe field ion microscope (AP-FIM) is a combination of a field ion microscope and a time-of-flight mass spectrometer with a single ion detection sensivity. With the field ion microscope topology of a surface, surface reactions and surface modifications can be studied in atomic detail. By time-of-flight measurements surface layers and interface layers can be chemically analyzed atom by atom and atomic layer by atomic layer. Compositional variations according to surface or interface segregation, precipitations, or surface changes in corrosion or in electrochemical layer formation etc. can be studied quantitatively on a subnanometer scale. Some of our studies on related problems will be decribed briefly. 相似文献
82.
L. W. Barrett G. S. Ferguson L. H. Sperling 《Journal of polymer science. Part A, Polymer chemistry》1993,31(5):1287-1299
Naturally functionalized triglyceride oils are renewable resources which contain reactive chemical groups, hydroxyl in the case of castor oil, and epoxide in the case of vernonia oil. In this article, the reaction of these groups, and the ester linkages between the glycerol and acid residue portions of the oil molecule with poly(ethylene terephthalate) (PET) is investigated through a variety of means. Multiple reactions are possible in the triglyceride–PET system, some of which form a copolymer that increases miscibility, and if allowed to continue, forms a completely random copolymer mixture. Among the numerous reactions possible, PET–ester exchange with the hydroxyl or epoxide functionality of the triglyceride oils is found to be the most significant, and the effects of these and other reactions are observed and structural implications discussed. © 1993 John Wiley & Sons, Inc. 相似文献
83.
Efforts are described to design simple, fully flexible but conformationally preorganised omega-hydroxy-nonanoic acids that could serve as the conformation controlling unit in analogues of the potent protein-kinase C activator aplysiatoxin. Such analogues are macrodilactones incorporating the designed omega-hydroxy-nonanoic acid and 3,4-dihydroxy-pentanoic acid, which contains the pharmacophoric groups. The design process (replacement of CH(2) groups by an oxygen atom, annelation of a six-membered ring and placement of alkyl substituents) of the omega-hydroxy-nonanoic acids was monitored by force-field calculations. In the end of this process simple analogues of aplysiatoxin are proposed in which the proper disposition of the pharmacophoric groups is secured by a conformationally flexible but preorganised template structure as part of the macrodilactone ring. 相似文献
84.
By the use of complete orthonormal sets of -exponential-type orbitals, where ( = 1, 0, –1, –2,...) the multicenter electronic attraction (EA), electric field (EF) and electric field gradient (EFG) integrals of nonscreened and Yukawa-like screened Coulomb potentials are expressed through the two-center overlap integrals with the same screening constants and the auxiliary functions
introduced in our previous paper (I.I. Guseinov, J. Phys. B, 3 (1970) 1399). The recurrence relations for auxiliary functions are useful for the calculation of multicenter EA, EF and EFG integrals for arbitrary integer and noninteger values of principal quantum numbers, screening constants, and location of slater-type orbitals. The convergence of the series is tested by calculating concrete cases. 相似文献
85.
This research presents the results of an experimental study on the determination of pyrolysis behaviour and kinetics of six
crude oils by differential scanning calorimetry (DSC) and thermogravimetry (TG/DTG). Crude oil pyrolysis indicated two main
temperature ranges where loss of mass was observed. The first region between ambient to 400°C was distillation. The second
region between 400 and 600°C was visbreaking and thermal cracking. Arrhenius-type kinetic model is used to determine the kinetic
parameters of crude oils studied. It was observed that as crude oils gets heavier (°API decreases) cracking activation energy
increases. Activation energy of cracking also show a general trend with asphaltene content.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
86.
Bruce R. McGarvey 《Coordination chemistry reviews》1998,170(1):75-92
Using a newly proposed approach involving an internally consistent set of equations, the ligand field parameters Δ/ξ, V/ξ and k are obtained from literature values of the g matrix for strong field d5 systems of various conformations in which |Δ/ξ|≤10. Qualitative analysis of the observed results is done using the Angular Overlap Model, AOM. 相似文献
87.
Fernández-Varela R Suárez-Rodríguez D Gómez-Carracedo MP Andrade JM Fernández E Muniategui S Prada D 《Talanta》2005,68(1):116-125
The combination of attenuated total reflectance-fourier transform mid-infrared spectrometry (ATR-FTMIR) and multivariate pattern recognition is presented as a fast and convenient methodology to ascertain the source product an oil slick comes from and to evaluate the extent of its weathering. Different types of hydrocarbons (including crude oils, several heavy distillates and the Prestige's heavy fuel oil) were spilled on metallic containers designed ad hoc and their fate monitored by ATR-FTMIR. Not only environmental conditions were considered for weathering but artificial IR- and UV-irradiation. Pattern-recognition studies revealed that the different hydrocarbons clustered at different locations on the score plots and that the samples corresponding to each oil became ordered according to the extent of their weathering. Among them, fuel oil samples coming from the recent disaster of the Prestige tanker off the Galician shoreline showed a distinctive behaviour. Comparison of natural-, IR- and UV-weathering of a crude oil showed that IR solar radiation can be important in oil-weathering, in addition to broadly-reported UV degradation. 相似文献
88.
N. A. Talzhanov D. T. Sadyrbekov F. M. Smagulova R. M. Mukanov V. A. Raldugin M. M. Shakirov A. V. Tkachev G. A. Atazhanova B. I. Tuleuov S. M. Adekenov 《Chemistry of Natural Compounds》2005,41(2):178-181
Chemical components from the aerial part of the Kazakhstan population of Artemisia pontica, from which the rarely encountered flavonoids 7-O-methyl- and 4′,7-di-O-methyl-esters of apigenin were isolated for the first time, were identified. The complete chemical composition of the essential oil was established using GC-MS.__________Translated from Khimiya Prirodnykh Soedinenii, No. 2, pp. 143–145, March–April, 2005. 相似文献
89.
The relaxation field for solutions of mixed electrolytes of any type is calculated. the calculation is based on the well-known
treatment due to Fuoss-Onsager with the same distance parameter for all the ions in solution. A general conductance-continuity
equation has been established and an improved iterative method of calculation, using Laplace transforms, is proposed. The
relaxation-field results are derived to the second iteration in the perturbation method of integration. 相似文献
90.
The electronic spectrum of VCr has been studied using the complete-active-space self-consistent field complete-active-space second-order perturbation theory approach. Potential-energy curves for 12 electronic states have been computed. Transition energies, with respect to the X2 ground state, for some of the calculated electronic states are (with possible experimental values within parentheses) 0.53 eV (0.56) for A2+, 1.03 eV (1.14) for A4, 1.20 eV (1.14) for B2, 1.45 eV (1.51) for B4, 1.60 eV (1.51, 1.78) for C2, and 1.61 eV (1.63) for A4–.
AcknowledgementsThe research reported in this communication was supported by a grant from the Swedish Natural Science Research Council (NFR). S. Alex and D.G. Leopold are acknowledged for providing results from their negative ion photoelectron spectroscopy on VCr.Contribution to Björn Roos Honorary Issue 相似文献