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Prediction of ortho substituent effect in alkaline hydrolysis of substituted phenyl benzoates in aqueous acetonitrile

15-03-2013 | Vilve Nummert, Mare Piirsalu, Ilmar A. Koppel, Journal of Physical Organic Chemistry, 2013

The second‐order rate constants k (dm3mol−1s−1) for alkaline hydrolysis of meta‐, para‐ and ortho‐substituted phenyl esters of benzoic acid, C6H5CO2C6H4‐X, in aqueous 50.9% (v/v) acetonitrile have been measured spectrophotometrically at 25 °C. In substituted phenyl benzoates, C6H5CO2C6H4‐X, ...

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Predictive Models for the Growth Kinetics of Listeria monocytogenes on White Cabbage

18-01-2013 | Jun Wang, S.M.E. Rahman, Xi‐Hong Zhao, Fereidoun Forghani, Myoung‐Su Park, Deog‐Hwan Oh, Journal of Food Safety, 2013

by median relative error (MRE), mean absolute relative error (MARE) and %standard error of prediction (%SEP). The results indicated that Baranyi model described the growth of L. monocytogenes on white cabbage...

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Effect of processing treatments (frozen, frying) on contents of minerals in tissues of ‘frutti di mare

11-09-2012 | Czech Anna, Stachyra Kamila, International Journal of Food Science & Technology, 2012

Summary The objective of this study was to determine the effect of thermal treatment (frying) of frozen seafood on the content of minerals and heavy metals. An analysis was conducted to compare concentration of sodium, magnesium, potassium, calcium, copper, iron, manganese, zinc, as well ...

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Molecular Recognition of the Thomsen-Friedenreich Antigen–Threonine Conjugate by Adhesion/Growth Regulatory Galectin-3: Nuclear Magnetic Resonance Studies and Molecular Dynamics Simulations

04-09-2012 | Austin B. Yongye; Luis Calle; Ana Ardá; Jesús Jiménez-Barbero; Sabine André; Hans-Joachim Gabius; Karina Martínez-Ma ..., Biochemistry, 2012

Nuclear magnetic resonance (NMR) spectroscopy and molecular modeling methods have been strategically combined to elucidate the molecular recognition features of the binding of threonine O-linked Thomsen-Friedenreich (TF) antigen to chimera-type avian galectin-3 (CG-3). Saturation transfer ...

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17O NMR studies of ortho‐substituent effects in substituted phenyl tosylates

31-08-2012 | Vilve Nummert, Vahur Mäemets, Mare Piirsalu, Ilmar A. Koppel, Magnetic Resonance in Chemistry, 2012

17O NMR spectra for 35 ortho‐, para‐, and meta‐substituted phenyl tosylates (phenyl 4‐methylbenzenesulfonates), 4‐CH3‐C6H4SO2OC6H4‐X, at natural abundance in acetonitrile at 50 °C were recorded. The 17O NMR chemical shifts, δ(17O), of the sulfonyl (SO2) and the single‐bonded phenoxy (OPh) ...

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DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties

07-08-2012 | Alfonso T. García-Sosa; Mare Oja; Csaba Hetényi; Uko Maran, Journal of Chemical Information and Modeling, 2012

The increasing knowledge of both structure and activity of compounds provides a good basis for enhancing the pharmacological characterization of chemical libraries. In addition, pharmacology can be seen as incorporating both advances from molecular biology as well as chemical sciences, with ...

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Multi-technique chemical characterisation of a 12-13TH-century painted Crucifix

28-05-2012 | Inez D. van der Werf, Cosima D. Calvano, Rocco Laviano, Antonella Simonetti, Luigia Sabbatini, Microchemical Journal, 2012

The Crucifix panel painting in the Santa Maria a Mare church on the Isle of St. Nicholas (Isole Tremiti - Italy), painted on both sides, was executed between the late 12th century and the early 13th...

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p-Cresol: A Sex Pheromone Component Identified from the Estrous Urine of Mares

17-05-2012 | Vincas Būda, Raimondas Mozūraitis, Jonas Kutra, Anna-Karin Borg-Karlson, Journal of Chemical Ecology, 2012

erection level was elicited by urine of a diestrous mare containing synthetic p-cresol at a quantity equivalent to half of the amount of p-cresol found in the urine of estrous mares. Consequently, p...

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Effects of Cyclic Lipodepsipeptide Structural Modulation on Stability, Antibacterial Activity, and Human Cell Toxicity

05-03-2012 | Bionda, Nina; Stawikowski, Maciej; Stawikowska, Roma; Cudic, Maré; López‐Vallejo, Fabian; Treit ..., ChemMedChem, 2012

Abstract Bacterial infections are becoming increasingly difficult to treat due to the development and spread of antibiotic resistance. Therefore, identifying novel antibacterial targets and new antibacterial agents capable of treating infections by drug‐resistant bacteria is of vital ...

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Development of a method for environmentally friendly chemical peptide synthesis in water using water-dispersible amino acid nanoparticles

25-08-2011 | Keiko Hojo; Asaki Hara; Hiroyuki Kitai; Mare Onishi; Hideki Ichikawa; Yoshinobu Fukumori; Koichi Kawasaki, Chemistry Central Journal , 2011

Due to the vast importance of peptides in biological processes, there is an escalating need for synthetic peptides to be used in a wide variety of applications. However, the consumption of organic solvent is extremely large in chemical peptide syntheses because of the multiple condensation ...

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