Structural,thermal and optical characterizations of a NLO material: L‐alaninium oxalate

An organic electro‐optic and nonlinear optical (NLO) material, L‐alaninium oxalate, was synthesized by the standard method. The synthesized material was purified by repeated recrystallization. Single crystals were grown by the slow evaporation technique. The grown crystals were transparent and had optimum dimensions (20 × 3 × 2 mm³) and were characterized by single crystal XRD, FT‐NMR, FT‐IR, TGA‐DTA and UV‐Vis‐NIR techniques. The second harmonic generation (SHG) from the material was confirmed using Nd:YAG laser. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Laminar boundary layer on a flat plate at high Prandtl number

Zusammenfassung Das Problem der Laminarströmung einer kompressiblen Flüssigkeit längs einer ebenen Platte bei grossen Prandtlzahlen wird mit Hilfe der Methode der inneren und äusseren Expansion gelöst unter der Annahme, dass das Produkt aus Dichte und Viskosität quer zur Grenzschicht konstant ist. Die Tabellen des Anhanges ermöglichen die Berechnung einer vollständigen Temperaturverteilung in der Grenzschicht für isolierte und nichtadiabatische Wände. Es erweist sich, dass die für den Rückgewinnungsfaktor gewonnene Formelr=1,922 ^1/3–1,341 eine wesentliche Verbesserung gegenüber früheren Ergebnissen ist, selbst bei =10³. Es wird eine Interpolationsformel vorgeschlagen, die in die exakte asymptotische Lösung bei grossem übergeht und beir=1 ebenfalls =1 ergibt.     

关于内结合环的注记（英）

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Structure–Activity relationships in auxins

Of the various theories proposed for auxin activity, the conformational change theory and the charge separation theory have received considerable attention. However, no conclusive theory collating molecular structure with hormonal activity has yet been established. We have studied the structural requirements for hormonal activity in plants through single crystal x-ray studies, as well as through conformational and charge density calculations on a series of plant hormones. We find that the existing theories are inadequate in explaining the activity of several auxins. We propose that the size of the auxin molecule in conjunction with the charge separation serves as a possible mechanism of action in plant hormones.     

Ethyl 6‐acetylamino‐6,7‐dihydro‐5H‐dibenzo[a,c]cycloheptene‐6‐carboxylate

The title compound, C₂₀H₂₁NO₃, is a derivative of Aib (α‐­aminoisobutyric acid) and is cyclized at the C^α position by bi­phenyl rings. The seven‐membered ring possesses C2 symmetry. The C^α cyclization causes the backbone to assume a helical conformation in the crystal structure. The packing of the mol­ecules is stabilized by intermolecular C—H?O, C—H?π and N—H?O hydrogen bonds.     

Solvatochromism, prototropism and complexation of para-aminobenzoic acid

Effect of solvents, buffer solutions of different pH and β-cyclodextrin (β-CD) on the absorption and fluorescence spectra of p-aminobenzoic acid (pABA) have been investigated. The inclusion complex of pABA with β-CD is investigated by UV-visible, fluorimetry, semiempirical quantum calculations (AM1), ¹H NMR and Scanning Electron Microscope (SEM). The thermodynamic parameters (ΔH, ΔG and ΔS) of the inclusion process are also determined. The experimental results indicated that the inclusion processes is an exothermic and spontaneous. The large Stokes shift emission in solvents with pABA are correlated with different solvent polarity scales. The increase in the excited dipole moment values suggest that pABA molecule is more polar in the S₁ state. Solvent and β-CD studies indicates intramolecular charge transfer in pABA is less than ortho and meta isomers. Acidity constants for different prototropic equilibria of pABA in the S₀ and S₁ states are calculated. β-Cyclodextrin studies shows that pABA forms a 1:1 inclusion complex with β-CD. A mechanism is proposed to explain the inclusion process.     

Molecular structure and activity of Vicolides isolated fromVicoa indica

Vicolide A to D, sesquiterpenoid lactones, were isolated from Vicoa indica and crystal structure of A and D were established by X-ray analysis. The structures were solved by direct methods and refined to an R index of 0.09. Vicolide B and D are reported to have anti-fertility activity while A and C are devoid of this activity. Conformational features of B and C are similar but differ from those of A and C.DCB Contribution No. 805.