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1.
Cover Picture: Coordination Chemistry of N‐Heterocyclic Nitrenium‐Based Ligands (Chem. Eur. J. 19/2015) 下载免费PDF全文
2.
Natalia L. Calvo Sebastian O. SimonettiRubén M. Maggio Teodoro S. Kaufman 《Analytica chimica acta》2015
Exposure of cimetidine (CIM) to dry heat (160–180 °C) afforded, upon cooling, a glassy solid containing new and hitherto unknown products. The kinetics of this process was studied by a second order chemometrics-assisted multi-spectroscopic approach. Proton and carbon-13 nuclear magnetic resonance (NMR), as well as ultraviolet and infrared spectroscopic data were jointly used, whereas multivariate curve resolution with alternating least squares (MCR-ALS) was employed as the chemometrics method to extract process information. It was established that drug degradation follows a first order kinetics. 相似文献
3.
Sebastian Kuntze 《ZDM》2006,38(6):456-463
So-called “bottom-up” strategies for implementation based on mathematics teachers' own developmental activities are considered to be a powerful approach when encouraging teachers to introduce alternative instructional practices. For evaluational research of in-service teacher training programs using “bottom-up” implementation strategies, the way how teachers implement contents of the teacher training is at the centre of interest. As the teachers' active role in the implementation process is necessary, their individual beliefs on the contents of the teacher training and their expectancies might influence the teachers' implementational activities. These beliefs can be considered as components of professional knowledge and pedagogical contents knowledge (Shulman, 1986) in particular. For this reason, the study focuses on the development of beliefs on contents of a teacher training program throughout the training on the one hand and relationships with characteristics of implementation on the other hand. We consider the example of introducing a student-centred learning environment, the so-called topic study method, in the teachers' classrooms. The results indicate that there are interdependencies between beliefs on the teacher training contents and characteristics of implementation. 相似文献
4.
Stefan Pitsch Sebastian Wendeborn Ramanarayanan Krishnamurthy Armin Holzner Mark Minton Martin Bolli Christian Miculca Norbert Windhab Ronald Micura Michael Stanek Bernhard Jaun Albert Eschenmoser 《Helvetica chimica acta》2003,86(12):4270-4363
Pyranosyl‐RNA (‘p‐RNA’ ) is an oligonucleotide system isomeric to natural RNA and composed of the very same building blocks as RNA. Its generational, chemical, and informational properties are deemed to be those of an alternative nucleic acid system that could have been a candidate in Nature's evolutionary choice of the molecular basis of genetic function. We consider the study of the chemistry of p‐RNA as etiologically relevant in the sense that knowledge of its structural, chemical, and informational properties on the chemical level offers both a perspective and reference points for the recognition of specific structural assets of the RNA structure that made it the (supposedly) superior system among possible alternatives and, therefore, the system that became part of biology as we know it today. The paper describes the chemical synthesis of β‐d‐ (and L )‐ribopyranosyl‐(4′→2′)‐oligonucleotide sequences, presents a resume of their structural and chemical properties, and cautiously discusses what we may and may not have learned from the pyranosyl isomer of RNA with respect to the conundrum of RNA's origin. 相似文献
5.
Mary E. Neubert DAVID G. ABDALLAH Jr Sandra S. Keast Julie M. Kim Soonnam Lee Ryan M. Stayshich Margaret E. Walsh Rolfe G. Petschek Shin-Tson Wu 《Liquid crystals》2003,30(6):711-731
New diphenyldiacetylenes of the type with A, B = H and/or F; m = 0, 1; n = 1-4; and X = C n H 2n + 1 , F, CF 3 or CN were synthesized and their mesomorphic properties determined by hot stage polarizing microscopy and DSC. When m = 0, all of these compounds showed only a nematic phase except when X = CF 3 when both nematic and smectic A phases were seen. Both clearing and melting temperatures were higher than those reported for substitution with the corresponding alkyl chains but the much larger increase in clearing temperatures produced considerably wider nematic phases. Eutectic mixtures of a few of these olefins yielded nematic materials also having much wider temperature ranges and higher clearing temperatures than the eutectic mixtures of the alkyl compounds, while retaining their high birefringence and low viscosities. Such materials are of interest for beam-steering devices.
Four of the diacetylenes with m = 1 ( A, B = H) were also prepared ( X = C 6 H 13 , F, n = 2, 3). When X was C 6 H 13 ( n = 2), the nematic range was smaller in the 2- than in the 1-olefin but wider than in the alkyl series. When X = F, either no nematic phase or a monotropic one was observed, whereas the 1-olefins gave a much wider nematic phase. Both transition temperatures were lower than those for the corresponding 1-olefin and alkyl analogues. The compound with X = C 6 H 13 and n = 2 had a melting temperature below room temperature. 相似文献
Four of the diacetylenes with m = 1 ( A, B = H) were also prepared ( X = C 6 H 13 , F, n = 2, 3). When X was C 6 H 13 ( n = 2), the nematic range was smaller in the 2- than in the 1-olefin but wider than in the alkyl series. When X = F, either no nematic phase or a monotropic one was observed, whereas the 1-olefins gave a much wider nematic phase. Both transition temperatures were lower than those for the corresponding 1-olefin and alkyl analogues. The compound with X = C 6 H 13 and n = 2 had a melting temperature below room temperature. 相似文献
6.
In this paper we outline a new particle-mesh method for rapidly rotating shallow water flows based on a set of regularized equations of motion. The time-stepping method uses an operator splitting of the equations into an Eulerian gravity wave part and a Lagrangian advection part. An essential ingredient is the advection of absolute vorticity by means of translated radial basis functions. We show that this implies exact conservation of enstrophy. The method is tested on two model problems based on the qualitative features of the solutions obtained (i.e., dispersion or smoothness of potential vorticity contours) as well as on the increase in mean divergence level. 相似文献
7.
8.
Sebastian Rezat 《ZDM》2006,38(6):482-487
From a socio-cultural perspective it is argued that the modality of artefacts has, structuring effects on the activities in which the artefact is involved. The mathematics textbook is an artefact that has a major influence on the activity of learning mathematics. Against this setting, the structures of the units in German mathematics textbooks for different grades and ability levels have been analysed. Firstly, the different structural elements have been examined with regard to: characteristics in terms of content; linguistic characteristics; visual characteristics; their pedagogical functions within the learning process; and situative conditions. Secondly, the orders of the structural elements within the units of the different textbooks have been compared. The findings reveal that the structure of the units is very similar in different mathematics textbooks. The units are not only composed of analogous structural elements, but these elements are also arranged in almost the same sequence. In order to develop a deeper understanding of these findings the structure of the units has been compared to the influential learning theories of J. F. Herbart and H. Roth. On this basis it is argued that the structure of the units seems to reflect the phases of idealised learning processes in general. The issue is raised if this is an appropriate structure in order to provide opportunities to learn mathematics. 相似文献
9.
H. Hofsäss H. Feldermann R. Merk M. Sebastian C. Ronning 《Applied Physics A: Materials Science & Processing》1998,66(2):153-181
T /nS of nT rearrangements and nS atoms in the spike volume as the crucial parameter characterizing the ability of a given ion–target combination to achieve
complete rearrangement of the spike volume. nT/nS>1 is the optimum condition for diamondlike film growth. For aC films the ion energy dependence of nT/nS agrees well with the measured sp3 bond fraction. For Ar+-ion-assisted deposition of aC we find nT/nS>1 above 50 eV with no pronounced ion energy dependence. Furthermore, our model predicts optimum conditions for the formation
of cubic boron nitride between 50 eV and 3 keV.
Accepted: 14 October 1997 相似文献
10.
57Fe electric and magnetic hyperfine parameters were calculated for a series of 10 iron model complexes, covering a wide range of oxidation and spin states. Employing the B3LYP hybrid method, results from nonrelativistic density functional theory (DFT) and quasi-relativistic DFT within the zero-order regular approximation (ZORA) were compared. Electron densities at the iron nuclei were calculated and correlated with experimental isomer shifts. It was shown that the fit parameters do not depend on a specific training set of iron complexes and are, therefore, more universal than might be expected. The nonrelativistic and quasi-relativistic electron densities gave fit parameters of similar quality; the ZORA densities are only shifted by a factor of 1.32, upward in the direction of the four-component Dirac-Fock value. From a correlation of calculated electric field gradients and experimental quadrupole splittings, the value of the 57Fe nuclear quadrupole moment was redetermined to a value of 0.16 barn, in good agreement with other studies. The ZORA approach gave no additional improvement of the calculated quadrupole splittings in comparison to the nonrelativistic approach. The comparison of the calculated and measured 57Fe isotropic hyperfine coupling constants (hfcc's) revealed that both the ZORA approach and the inclusion of spin-orbit contributions lead to better agreement between theory and experiment in comparison to the nonrelativistic results. For all iron complexes with small spin-orbit contributions (high-spin ferric and ferryl systems), a distinct underestimation of the isotropic hfcc's was found. Scaling factors of 1.81 (nonrelativistic DFT) and 1.69 (ZORA) are suggested. The calculated 57Fe isotropic hfcc's of the remaining model systems (low-spin ferric and high-spin ferrous systems) contain 10-50% second-order contributions and were found to be in reasonable agreement with the experimental results. This is assumed to be the consequence of error cancellation because g-tensor calculations for these systems are of poor quality with the existing DFT approaches. Excellent agreement between theory and experiment was found for the 57Fe anisotropic hfcc's. Finally, all of the obtained fit parameters were used for an application study of the [Fe(H2O)6]3+ ion. The calculated spectroscopic data are in good agreement with the Mossbauer and electron paramagnetic resonance results discussed in detail in a forthcoming paper. 相似文献