T27405

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Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.

Alfonso Pérez-Garrido et al.

Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

Detailed compositional characterization of plastic waste pyrolysis oil by comprehensive two-dimensional gas-chromatography coupled to multiple detectors.

Hilal E Toraman et al.

Journal of chromatography. A, 1359, 237-246 (2014-07-30)

The detailed compositional characterization of plastic waste pyrolysis oil was performed with comprehensive two-dimensional GC (GC×GC) coupled to four different detectors: a flame ionization detector (FID), a sulfur chemiluminescence detector (SCD), a nitrogen chemiluminescence detector (NCD) and a time of

Improving the Catalytic Performance of Keggin [PW12O40]3- for Oxidative Desulfurization: Ionic Liquids versus SBA-15 Composite.

Susana O Ribeiro et al.

Materials (Basel, Switzerland), 11(7) (2018-07-14)

Different methodologies were used to increase the oxidative desulfurization efficiency of the Keggin phosphotungstate [PW12O40]3- (PW12). One possibility was to replace the acid proton by three different ionic liquid cations, forming the novel hybrid polyoxometalates: [BMIM]₃PW12 (BMIM as 1-butyl-3-methylimidazolium), [BPy]₃PW12

Enhanced selectivity and search speed for method development using one-segment-per-component optimization strategies.

Eva Tyteca et al.

Journal of chromatography. A, 1358, 145-154 (2014-07-21)

Linear gradient programs are very frequently used in reversed phase liquid chromatography to enhance the selectivity compared to isocratic separations. Multi-linear gradient programs on the other hand are only scarcely used, despite their intrinsically larger separation power. Because the gradient-conformity

Decoys for docking.

Alan P Graves et al.

Journal of medicinal chemistry, 48(11), 3714-3728 (2005-05-27)

Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting

Biodegradation of Various Aromatic Compounds by Enriched Bacterial Cultures: Part B--Nitrogen-, Sulfur-, and Oxygen-Containing Heterocyclic Aromatic Compounds.

Akashdeep Singh Oberoi et al.

Applied biochemistry and biotechnology, 176(6), 1746-1769 (2015-06-10)

Present study focused on the biodegradation of various heterocyclic nitrogen, sulfur, and oxygen (NSO) compounds using naphthalene-enriched culture. Target compounds in the study were pyridine, quinoline, benzothiophene, and benzofuran. Screening studies were carried out using different microbial consortia enriched with

An improved multiple flame photometric detector for gas chromatography.

Adrian G Clark et al.

Journal of chromatography. A, 1421, 154-161 (2015-04-25)

An improved multiple flame photometric detector (mFPD) is introduced, based upon interconnecting fluidic channels within a planar stainless steel (SS) plate. Relative to the previous quartz tube mFPD prototype, the SS mFPD provides a 50% reduction in background emission levels

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