Search results for "Derivative"
showing 10 items of 1074 documents
Near infrared spectroscopic study on the adsorption of methanol on silica gel
2013
Author's version of an article in the journal: Advanced Materials Research. Also available from the publisher at: http://dx.doi.org/10.4028/www.scientific.net/AMR.650.150 The silanol groups on Silica gel surface are sites for adsorption of polar molecules. Alcohols and other polar molecules are easily adsorbed by forming hydrogen bondings with OH groups on silica gel surface. A study on the adsorption of methanol on silica gel was carried out by using NIR spectroscopy in combination with ssecond derivative techniques. Four of the well characterised silica gel samples were used in this study. Each of the silica gel (0.25g) samples with different surface areas and silanol number was pressed i…
An In Vitro Experiment for Postmortem Vascular Permeation. The Passage of Morphine and Morphine Glucuronides Across a Vascular Wall
1997
A venous blood sample taken at autopsy cannot be considered to represent the antemortem blood concentration of a particular substance. Autolytic processes cause disintegration and increasing permeability of the physiological and anatomical barriers such as vascular walls and lead to changes in substance concentrations. In the present study, the experimental design represents an in vitro postmortem simulation of a drug substance crossing a venous wall. The postmortem behavior of morphine, morphine-3- and morphine-6-glucuronide was investigated. A Chien-Valia-diffusion chamber with a patch of inferior vena cava as diffusion barrier was used. For optimal simulation of postmortem events, vein s…
Analytic UHF-CCSD(T) second derivatives: implementation and application to the calculation of the vibration-rotation interaction constants of NCO and…
1998
An implementation of analytic open-shell UHF-CCSD(T) second derivatives is presented. To demonstrate applicability and test the accuracy of the UHF-CCSD(T) approach for the determination of spectroscopical parameters, vibration-rotation interaction constants were calculated for the ground (12Π) and first electronically excited (12Σ) states of the NCO and NCS radicals. In addition, harmonic vibrational frequencies for both states, the Renner-Teller parameter for the ground state, as well as the 12Π→12Σ excitation energy are reported. While the computed values are in good agreement with reliable experimental information for NCO, most of the data presented for NCS are predictions of quantities…
Synthesis of vinca alkaloids and related compounds LX. A simple transformation of apovincamine into vincamine
1992
Abstract The 15α-chloro-vincamine derivative 2 was prepared and proved to be key intermediate of a two-step transformation of apovincamine into vincamine. The structure of 2 was established via detailed NMR and X-ray investigations.
Effect of pH and nitrite concentration on nitrite oxidation rate
2011
The effect of pH and nitrite concentration on the activity of the nitrite oxidizing bacteria (NOB) in an activated sludge reactor has been determined by means of laboratory batch experiments based on respirometric techniques. The bacterial activity was measured at different pH and at different total nitrite concentrations (TNO 2). The experimental results showed that the nitrite oxidation rate (NOR) depends on the TNO 2 concentration independently of the free nitrous acid (FNA) concentration, so FNA cannot be considered as the real substrate for NOB. NOB were strongly affected by low pH values (no activity was detected at pH 6.5) but no inhibition was observed at high pH values (activity wa…
Determination of total and free sulphur dioxide in wine with a continuous-flow microdistillation system
1993
Abstract A continuous-flow microdistillation system for the determination of SO2 (free and total) in wine samples is described. The assembly permits the successive addition of discrete volumes of sample to the microdistillation module with the aid of a nitrogen carrier stream. The nitrogen carrier also transports the volatilized SO2, after the distillation step, to the absorption module, where the analyte reacts with a solution of 2,2′-dinitro-5,5′-dithiodibenzoic acid in phosphate buffer (pH 6) to give a yellow derivative, which is monitored spectrophotometrically at 410 nm. Free and total so2 signals are obtained by operating the microdistillation module at room temperature (ca. 20°C) and…
Some Theoretical Results About Stability for IMEX Schemes Applied to Hyperbolic Equations with Stiff Reaction Terms
2010
In this work we are concerned with certain numerical difficulties associated to the use of high order Implicit–Explicit Runge–Kutta (IMEX-RK) schemes in a direct discretization of balance laws with stiff source terms. We consider a simple model problem, introduced by LeVeque and Yee in [J. Comput. Phys 86 (1990)], as the basic test case to explore the ability of IMEX-RK schemes to produce and maintain non-oscillatory reaction fronts.
Free energy and states of fractional-order hereditariness
2014
AbstractComplex materials, often encountered in recent engineering and material sciences applications, show no complete separations between solid and fluid phases. This aspect is reflected in the continuous relaxation time spectra recorded in cyclic load tests. As a consequence the material free energy cannot be defined in a unique manner yielding a significative lack of knowledge of the maximum recoverable work that can extracted from the material. The non-uniqueness of the free energy function is removed in the paper for power-laws relaxation/creep function by using a recently proposed mechanical analogue to fractional-order hereditariness.
Zirconium, hafnium and yttrium complexes containing two linked amido— tetramethylcyclopentadienyl ligands: Synthesis, reactivity and molecular struct…
1998
Abstract Zirconium and hafnium complexes M(η5: η1−C5Me4SiMe2NR′)xCl(4−2x) (M = Zr, Hf; x = 1, 2; R′ = iPr, tBu) containing one or two linked amido-tetramethylcyclopentadienyl ligands C5Me4SiMe2NR′ have been synthesized by the reaction of the dilithium derivative Li2(C5Me4SiMe2NR′) with MCl4(THF)2. The crystal structure of the hafnium complex Hf(η5: η1−C5Me4SiMe2NiPr)2 has been determined by a single-crystal X-ray diffraction study and shows a C2-symmetric helical metallocene, in which the amido ligands are bonded as π-donor ligands with Hf—N bond lengths of 2.115(2) A. The isoelectronic heterobimetallic yttrium complex Li[Y(η5: η1−C5Me4SiMe2NCH2CH2OMe)2] reacts with phenylacetylene to give …
Highly Enantioselective Friedel−Crafts Alkylations of Indoles with Simple Enones Catalyzed by Zirconium(IV)−BINOL Complexes
2007
Complexes of BINOL-based ligands with Zr(OtBu)4 catalyze the Friedel-Crafts alkylation reaction of indoles and pyrrole with nonchelating beta-substituted alpha,beta-enones at room temperature affording the expected products with good yields and ee above 95% in most of the studied examples.