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1.
Alain Estve Adeline Bail Georges Landa Ahmed Dkhissi Marie Brut Mehdi Djafari Rouhani Jan Sudor Anne-Marie Gu 《Chemical physics》2007,340(1-3):12-16
Possible collapsed forms of poly(N-isopropylacrylamide) molecules are reviewed on the basis of first principle calculations. Various configurations and associated conformations are detailed. The calculated optimized structures exhibit different possibilities of creating networks of intra-molecular bonds of the hydrogen type. We show that the most remarkable one is able to form a local, self-saturated and well ordered helix. We also indicate in which direction the synthesis of the molecule should be oriented to improve its global behavior in term of hydrophobic/hydrophilic behavior. 相似文献
2.
In this study a novel technique for 2D spray temperature measurement is presented. For this purpose the thermographic phosphor (TP) Mg4GeO5.5F:Mn was dispersed in n-dodecane and atomised using a conventional semi solid-cone nozzle. The thermographic phosphor was excited electronically by a frequency tripled Nd:YAG laser (355 nm). An ICCD-camera in combination with an image doubler detected the subsequently emitted phosphorescence at both peak emission wavelengths located at 633 nm and 659 nm, respectively. Utilising suitable calibration measurements, the local spray temperature was determined by evaluating the intensity ratio of both emission wavelengths. To the knowledge of the authors this is the first approach of spray temperature measurement exploiting the temperature dependent intensity ratio of thermographic phosphors. PACS 07.20.Dt; 32.50.+d 相似文献
3.
W. Brüggemann K. Fischer H. Jahnke 《Journal of Mathematical Modelling and Algorithms》2003,2(2):153-169
In Part I of this study, we suggest to identify an operations research (OR) problem with the equivalence class of models describing the problem and enhance the standard computer-science theory of computational complexity to be applicable to this situation of an often model-based OR context. The Discrete Lot-sizing and Scheduling Problem (DLSP) is analysed here in detail to demonstrate the difficulties which can arise if these aspects are neglected and to illustrate the new theoretical concept. In addition, a new minimal model is introduced for the DLSP which makes this problem eventually amenable to a rigorous analysis of its computational complexity. 相似文献
4.
5.
Let Top
0
be the category of topological T
0-spaces, QU
0
the category of quasi-uniform T
0-spaces, T : QU
0
→ Top
0
the usual forgetful functor and K : QU
0
→ QU
0
the bicompletion reflector with unit k : 1 → K. Any T-section F : Top
0
→ QU
0
is called K-true if KF = FTKF, and upper (lower)
K-true if KF is finer (coarser) than FTKF. The literature considers important T-sections F that enjoy all three, or just one, or none of these properties. It is known that T(K,k)F is well-pointed if and only if F is upper K-true. We prove the surprising fact that T(K,k)F is the reflection to Fix(TkF) whenever it is idempotent. We also prove a new characterization of upper K-trueness. We construct examples to set apart some natural cases. In particular we present an upper K-true F for which T(K,k)F is not idempotent, and a K-true F for which the coarsest associated T-preserving coreflector in QU
0
is not stable under K.
We dedicate this paper to the memory of Sérgio de Ornelas Salbany (1941–2005). 相似文献
6.
7.
Arielle Milliet Georges Sozzi Henri E. Audier 《Journal of mass spectrometry : JMS》1992,27(7):787-794
Radical cations derived from the ethers ROCH2CH2OR′ (R, R′ = H, CH3, C25) were studied, since β-distonic oxonium ions are often prepared from ionized ethers of glycol. The first step in the fragmentation is a 1,5-transfer of an α-hydrogen to oxygen of a terminal alkoxy group leading to a δ-distonic oxonium ion. This step is thermo-neutral and reversible in the ROCH2CH2OH radical cations and exothermic and irreversible in the dialkyl ether radical cations. Depending on R and R,′ these δ-distonic oxonium ions fragment by three reactions: the loss of an alcohol or a water molecule, the formation of a β-distonic oxonium ion ˙CH2CH2O(H)+R and a 1,4-H migration between carbon atoms. Competition between these processes is discussed. 相似文献
8.
The parameters that affect the shape of the band profiles of acido‐basic compounds under moderately overloaded conditions (sample size less than 500 nmol for a conventional column) in RPLC are discussed. Only analytes that have a single pKa are considered. In the buffer mobile phase used for their elution, their dissociation may, under certain conditions, cause a significant pH perturbation during the passage of the band. Two consecutive injections (3.3 and 10 μL) of each one of three sample solutions (0.5, 5, and 50 mM) of ten compounds were injected on five C18‐bonded packing materials, including the 5 μm Xterra‐C18 (121 Å), 5 μm Gemini‐C18 (110 Å), 5 μm Luna‐C18(2) (93 Å), 3.5 μm Extend‐C18 (80 Å), and 2.7 μm Halo‐C18 (90 Å). The mobile phase was an aqueous solution of methanol buffered at a constant WWpH of 6, with a phosphate buffer. The total concentration of the phosphate groups was constant at 50 mM. The methanol concentration was adjusted to keep all the retention factors between 1 and 10. The compounds injected were phenol, caffeine, 3‐phenyl 1‐propanol, 2‐phenyl butyric acid, amphetamine, aniline, benzylamine, p‐toluidine, procainamidium chloride, and propranololium chloride. Depending on the relative values of the analyte pKa and the buffer solution pH, these analytes elute as the neutral, the cationic, or the anionic species. The influence of structural parameters such as the charge, the size, and the hydrophobicity of the analytes on the shape of its overloaded band profile is discussed. Simple but general rules predict these shapes. An original adsorption model is proposed that accounts for the unusual peak shapes observed when the analyte is partially dissociated in the buffer solution during its elution. 相似文献
9.
Georges Griso 《Comptes Rendus Mathematique》2004,338(3):261-266
We study the asymptotic behaviour of a structure depending of two small parameters. The ratio of these two parameters plays a part in the limit problems. To cite this article: G. Griso, C. R. Acad. Sci. Paris, Ser. I 338 (2004). 相似文献
10.
Fe2O3--V2O5 catalysts doped with Cs2SO4 (molar ratio: V:Fe:Cs=1:0.74:0.06) were found to be a rather inhomogeneous mixture of various crystalline and amorphous iron
vanadate phases. After calcination in air the catalyst was divided into three different parts which were analyzed separately
revealing the formation of FeVO4 in the top and bottom fraction of the crucible and Fe2V4O13 in the middle fraction. As compared to the well crystallized FeVO4 reference sample, the quadrupole splittings of FeVO4 in the Cs-doped catalysts were larger pointing to more distorted iron sites which were assumed to be responsible for high
catalytic selectivities. In contrast, the quadrupole splittings of FeVO4 in the less selective K- and Rb-doped Fe2O3--V2O5 catalysts were smaller. Additional components in the bottom fraction were also α-Fe2O3 and Fe1-xS. As indicated by the CEMS spectra the latter is located preferentially on the surface of the catalyst particles.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献