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The key role of coligands in novel ruthenium(II)-cyclopentadienyl bipyridine derivatives: ranging from non-cytotoxic to highly cytotoxic compounds

21-Jun-2015 | Author(s): Leonor Côrte-Real , M. Paula Robalo , Fernanda Marques , Guilherme Nogueira , Fernando Avecilla , Ti ..., Journal of Inorganic Biochemistry, 2015

Publication date: Available online 20 June 2015 Source:Journal of Inorganic Biochemistry Author(s): Leonor Côrte-Real , M. Paula Robalo , Fernanda Marques , Guilherme Nogueira , Fernando Avecilla , Tiago J.L. Silva , Filipa C. Santos , A. Isabel Tomaz , M. Helena Garcia , Andreia ...


Solution and Gas‐Phase Acidities of all‐trans (all‐E) Retinoic Acid: An Experimental and Computational Study

17-Jun-2015 | José‐Luis M. Abboud, Ilmar A. Koppel, Einar Uggerud, Ivo Leito, Ivar Koppel, Osamu Sekiguchi, Karl Kaupmees, Jaan Sa ..., Chemistry - A European Journal, 2015

Abstract Retinoic acid is of fundamental biological importance. Its acidity was determined in the gas phase and in acetonitrile solution by means of mass spectrometry and UV/Vis spectrophotometry, respectively. The intrinsic acidity is slightly higher than that of benzoic acid. In solution, ...


Ionic liquid and aqueous two‐phase extraction based on salting‐out coupled with high‐performance liquid chromatography for the determination of seven rare ginsenosides in Xue‐Sai‐Tong injection

17-Jun-2015 | Lan‐Jie Li, Yong‐Ri Jin, Xiao‐Zhong Wang, Ying Liu, Qian Wu, Xiao‐Lei Shi, Xu‐Wen Li, Journal of Separation Science, 2015

A method of ionic liquid salt aqueous two‐phase extraction coupled with high‐performance liquid chromatography has been developed for analysis of seven rare ginsenosides including Rg6, F4, 20(S)‐Rg3, 20(R)‐Rg3, Rk3, Rk1 and Rg5 in Xue‐Sai‐Tong injection. The injection was mixed with ionic liquid ...


Accounting for observed small angle X‐ray scattering profile in the protein–protein docking server cluspro

10-Jun-2015 | Bing Xia, Artem Mamonov, Seppe Leysen, Karen N. Allen, Sergei V. Strelkov, Ioannis Ch. Paschalidis, Sandor Vajda, Di ..., Journal of Computational Chemistry, 2015

The protein‐protein docking server ClusPro is used by thousands of laboratories, and models built by the server have been reported in over 300 publications. Although the structures generated by the docking include near‐native ones for many proteins, selecting the best model is difficult due to ...


Hollow Fibre Liquid Phase Micro‐extraction by Facilitated Anionic Exchange for the Determination of Flavonoids in Faba Beans (Vicia faba L.)

05-Jun-2015 | Nadia Chaieb, Montserrat López‐Mesas, Johannes Luis González, Messaoud Mars, Manuel Valiente, Phytochemical Analysis, 2015

Abstract Introduction Flavonoids are polyphenolic compounds found ubiquitously in foods of plant origin. They are commonly extracted from plant materials with ethanol, methanol, water, their combination or even with acidified extracting solutions. The disadvantages of these methods are the ...


Metabolic Instability of Cyanothiazolidine‐Based Prolyl Oligopeptidase Inhibitors: a Structural Assignment Challenge and Potential Medicinal Chemistry Implications

28-May-2015 | Paolo Schiavini, Joshua Pottel, Nicolas Moitessier, Karine Auclair, ChemMedChem, 2015

Abstract As part of the development of cyanothiazolidine‐based prolyl oligopeptidase inhibitors, initial metabolism studies suggested multiple sites of oxidation by P450 enzymes. Surprisingly, in‐depth investigations revealed that epimerization at multiple stereogenic centers was responsible ...


Fast quantitative analysis of four tyrosine kinase inhibitors in different human plasma samples using three‐way calibration‐ assisted liquid chromatography with diode array detection

28-May-2015 | Shou‐Xia Xiang, Hai‐Long Wu, Chao Kang, Li‐Xia Xie, Xiao‐Li Yin, Hui‐Wen Gu, Ru‐Qin Yu, Journal of Separation Science, 2015

A simple method has been developed by combining high‐performance liquid chromatography with diode array detection with the alternating trilinear decomposition method for simultaneous determination of four tyrosine kinase inhibitors in different human plasma samples. Chromatographic separation of ...


Time‐of‐flight secondary ion mass spectrometry imaging of biological samples with delayed extraction for high mass and high spatial resolutions

26-May-2015 | Quentin P. Vanbellingen, Nicolas Elie, Michael J. Eller, Serge Della‐Negra, David Touboul, Alain Brunelle, Rapid Communications in Mass Spectrometry, 2015

Rationale In Time‐of‐Flight Secondary Ion Mass Spectrometry (TOF‐SIMS), pulsed and focused primary ion beams enable mass spectrometry imaging, a method which is particularly useful to map various small molecules such as lipids at the surface of biological samples. When using TOF‐SIMS ...


Crystal structures of increasingly large molecules: meeting the challenges with CRYSTALS software

24-May-2015 | Parois, Pascal; Cooper, Richard I; Thompson, Amber L, Chemistry Central Journal , 2015

Background: The size and complexity of molecules being studied by single crystal diffraction is growing year by year, resulting in an increase in the difficulties encountered during structure determination. From the crystallisation itself and sample handling, to structure solution and refinement, ...


Thermodynamic Models for Determination of the Solubility of the (1:1) Complex of (Urea + l-Malic Acid) in (Methanol + Acetonitrile) Binary Solvent Mixtures

20-May-2015 | Qi Zhang; Yonghong Hu; Yang Yang; Cuicui Cao; Limin Cheng; Yonglan Li; Wenge Yang, Journal of Chemical & Engineering Data, 2015

In this paper, we focused on solubility and solution thermodynamics of urea l-malic acid (1:1 solid state compound). By gravimetric method, the solubility of urea l-malic acid was measured in (methanol + acetonitrile) binary solvent mixtures in the temperature (from 278.15 K to 333.15 K). The ...


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