Bilinear programming: An exact algorithm

The Bilinear Programming Problem is a structured quadratic programming problem whose objective function is, in general, neither convex nor concave. Making use of the formal linearity of a dual formulation of the problem, we give a necessary and sufficient condition for optimality, and an algorithm to find an optimal solution.Research partially supported by the Office of Naval Research under Contract N00014-69-A-0200-1010 with the University of California.     

Determinazione di alcuni composti ossiantrachinonici a mezzo di titolazione in solventi non acquosi

Riassunto E stato applicato il metodo di titolazione potenziometrica con metilato sodico a composti fenolici aventi formula simile come l'1–8 diossiantrachinone, l'1–8 diossi-3-metilantrachinone e l'1–8 diossi-3-metil antrone, di notevole importanza farmaceutica.Come solvente si è usata la piridina e come rivelatori del punto di equivalenza una coppia di elettrodi vetro-antimonio non essendo possibile usare indicatori data la forte colorazione delle soluzioni.

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Summary Potentiometric titration with sodium methylate was used ton determine derivatives whose constitution is similar to that of 1,8-dihydroxyanthraquinone, 1,8-dihydroxy-3-methylanthraquinone and l,8-dihydroxy-3-methylanthrone.The solvent is pyridine. The change point was determined by means of an electrode pair: glass electrode-antimony electrode, since the intense self-color of the solutions excludes the use of indicators.

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Zusammenfassung Die potentiometrische Titration mit Natriummethylat wurde zur Bestimmung von Derivaten herangezogen, deren Zusammensetzung dem 1,8-Dihydroxyanthrachinon, dem 1,8-Dihidroxy-3-methylanthrachinon und dem 1,8-Dihidroxy-3-methylanthron ähnlich ist.Als Lösungsmittel wird Pyridin verwendet. Der Umschlagspunkt wird mit Hilfe eines Elektrodenpaares Glaselektrode-Antimonelektrode festgestellt, da die starke Eigenfärbung der Lösungen den Gebrauch von Indikatoren ausschließt.

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Résumé Le titrage potentiométrique par le méthylate de sodium a été appliqué au dosage de dérivés dont la composition est semblable à celles de la 1, 8-dihydroxyanthraquinone, de la 1,8-dihydroxy-3-méthylanthraquinone et de la l,8-dihydroxy-3-méthylanthrone. On utilise la pyridine comme solvant.Le point final de titrage est déterminé à l'aide d'un système électrode de verre: électrode d'antimoine car la forte coloration des solutions interdit l'emploi d'indicateurs.

     

On-line characterisation of apple polyphenols by liquid chromatography coupled with mass spectrometry and ultraviolet absorbance detection

Apple polyphenols were characterised by means of hyphenated techniques such as HPLC coupled to UV photodiode array detection (LC-DAD) and to mass spectrometry (LC-MS). LC-MS using atmospheric pressure ionisation (APCI) in the positive ion mode provided the molecular weight, the number of hydroxyl groups, the number of sugars and an idea about the substitution pattern of the polyphenols. LC-DAD with postcolumn addition of UV shift reagents afforded precise structural information about the position of the free hydroxyl groups in the polyphenolic nucleus. Five isorhamnetin glycosides, two hydroxyphloretin glycosides and quercetin were reported in apple peel for the first time. Postcolumn addition of UV shift reagents in LC-DAD analysis confirmed the presence of isorhamnetin glycosides and not the isomeric glycosides of rhamnetin. Moreover, isorhamnetin-3-O-rhamnoglucoside was identified unambiguously by comparison with a standard. These results are relevant not only from a chemotaxonomic point of view, but also in the control of authenticity of fruit derived products in order to detect fraudulent admixtures.     

1H and 13C NMR spectral assignment of N,N′‐disubstituted thiourea and urea derivatives active against nitric oxide synthase

The ¹H and ¹³C NMR resonances of seventeen N‐alkyl and aryl‐N′‐[3‐hydroxy‐3‐(2‐nitro‐5‐substitutedphenyl)propyl]‐thioureas and ureas ( 1–17 ), and seventeen N‐alkyl or aryl‐N′‐[3‐(2‐amino‐5‐substitutedphenyl)‐3‐hydroxypropyl]‐thioureas and ureas ( 18–34 ), designed as NOS inhibitors, were assigned completely using the concerted application of one‐ and two‐dimensional experiments (DEPT, HSQC and HMBC). NOESY studies confirm the preferred conformation of these compounds. Copyright © 2016 John Wiley & Sons, Ltd.     

Characterization of 4,5‐Dihydro‐1H‐Pyrazole Derivatives by 13C NMR Spectroscopy

The ¹³ C NMR resonances of 19 1‐acyl‐3‐(2‐nitro‐5‐substitutedphenyl)‐4,5‐dihydro‐1H‐pyrazoles, and 19 1‐acyl‐3‐(2‐amino‐5‐substituted)‐4,5‐dihydro‐1H‐pyrazoles, were completely assigned using the concerted application of one‐ and two‐dimensional NMR experiments (DEPT, gs‐HSQC and gs‐HMBC). Copyright © 2012 John Wiley & Sons, Ltd.     

A theoretical study of the limits of the acidity of carbon acids in phase transfer catalysis in water and in liquid ammonia

The acidities of a large number of carbon acids have been theoretically calculated for the gas-phase and for DMSO solution. The gas-phase values, both ΔH and ΔG, are very well correlated with the available experimental data. From the calculated ΔG values in DMSO and the pKas in the same solvent, a homogeneous set of pK _a (DMSO) values was devised that was used to generate pK _a (water). These last pK _as were used to establish the limits of the acidity of carbon acids for reactions under PTC conditions both alkylations and H/D exchange. A step further led to the pK _as in liquid ammonia and from them to the virtual use of PTC using liquid ammonia instead of water.