Influence diagnostics in multiple discriminant analysis

Various influence diagnostics in Multiple Discriminant Analysis can be found in the literature. Almost all of them are based on the overall probability of misclassification. Two case-deletion diagnostics which evaluate the effect of the omission on the linear functions which determine Fisher’s Linear Discriminant Rule are proposed in this paper. Both measures are based on the L ₂-norm: The first diagnostic is calculated from the data set and the second diagnostic is calculated in the minimum hypercube which covers it.     

Rheological and drug‐release behaviour of a scleroglucan gel matrix at different drug loadings

The aim of this study was to investigate the drug‐loading effects on release and mechanical properties of a scleroglucan gel, with the intention of considering them in delivery systems formulations. The rheological and kinetic properties of a 2 % w/w scleroglucan gel matrix loaded with 0, 0.02, 0.04, 0.06, 0.2 and 0.4 % w/w of theophylline (Th, used as a model drug) were investigated. Rheological measurements were performed in a controlled‐stress rotational‐shear rheometer under isothermal conditions. For theophylline release from the gel a flat Franz cell was used and the kinetic parameters were derived applying a semi‐empirical power law. The influence of scleroglucan molar weight on kinetic and rheological behaviour was also studied. Results suggest two possible effects of drug loading on the gel network: in the 0.04–0.06 % w/w Th range a plasticizing effect and in the 0.2–0.4 % w/w Th range a rigidization effect. In the first range mentioned, the changes in the gel structural properties tested by means of rheological measurements are coincident with changes in drug‐release kinetics. Copyright © 2005 Society of Chemical Industry     

Rate of ammonia oxidation in a synthetic saline wastewater by a nitrifying mixed‐culture

Most of the kinetic studies on nitrification have been performed in diluted salts medium. In this work, the ammonia oxidation rate (AOR) was determined by respirometry at different ammonia (0.01 and 33.5 mg N‐NH₃ L^?1), nitrite (0–450 mg N‐NO₂^? L^?1) and nitrate (0 and 275 mg N‐NO₃^? L^?1) concentrations in a saline medium at 30 °C and pH 7.5. Sodium azide was used to uncouple the ammonia and nitrite oxidation, so as to measure independently the AOR. It was determined that ammonia causes substrate inhibition and that nitrite and nitrate exhibit product inhibition upon the AOR. The effects of ammonia, nitrite and nitrate were represented by the Andrews equation (maximal ammonia oxidation rate, r_AOMAX, = 43.2 [mg N‐NH₃ (g VSS_AO h)^?1]; half saturation constant, K_SAO, = 0.11 mg N‐NH₃ L^?1; inhibition constant K_IAO, = 7.65 mg N‐NH₃ L^?1), by the non‐competitive inhibition model (inhibition constant, K_INI, = 176 mg N‐NO₂^? L^?1) and by the partially competitive inhibition model (inhibition constant, K_INA, = 3.3 mg N‐NO₃^? L^?1; α factor = 0.24), respectively. The r_AOMAX value is smaller, and the K_SAO value larger, than the values reported in diluted salts medium; the K_IAO value is comparable to those reported. Process simulations with the kinetic model in batch nitrifying reactors showed that the inhibitory effects of nitrite and nitrate are significant for initial ammonia concentrations larger than 100 mg N‐NH₄⁺ L^?1. Copyright © 2005 Society of Chemical Industry     

N.m.r. line shape-relaxation correlation analysis of bitumen and oil sands

The first results of the analysis of bitumen and oil sands using the recently developed n.m.r. spingrouping technique are presented. The n.m.r. relaxation experiments were carried out on bitumen, and on natural and dried oil sands samples. The results indicate that the spin-grouping can resolve and quantify several components of the samples studied. The bitumen and bitumen fraction of the oil sands are resolved according to their spin-spin relaxation times into three major groups: solid-like (rigid), solid-like (mobile) and semi-liquid. The water in the oil sands exists in two different environments. Tentatively one environment is assigned to be the bridges between the sand grains, while the other is assigned to be the clay surface. One can conclude that with spin grouping of complex mixtures the decomposition (in which components are resolved according to their dynamic state) is possible. The accuracy of such resolution is of the order of a few per cent.     

Antimutagenic activity of phenolic compounds, oligosaccharides and quinolizidinic alkaloids from Lupinus campestris seeds.

There are some foods that contain mutagenic or carcinogenic agents, some of which occur naturally and others that may be formed during preparation or cooking. Several foods such as legumes, also contain natural antimutagens and/or anticarcinogens. Lupine is one such legume that contains high amounts of protein (40%) and oils (14%). About 90 species of lupine have been reported throughout Mexico. However, the use of this crop as a source of food has been limited by the presence of antinutritional agents such as phenolic compounds (PC), carbohydrates (CH) and quinolizidinic alkaloids (Qas). It has also been suggested that consuming these compounds can affect human health and may even reduce the risk of disease. The objective of this work was to determine the effect of PC, CH and Qas, isolated and quantified from Lupinus campestris on the mutagenicity of 1-nitropyrene (1-NP) as a model mutagen and we used the Salmonella typhimurium tester strain YG1024 by the Kado microsuspension method. The results indicate that L. campestris seeds have 11 mg (+)catechin equivalent g(-1) seed coat; 120.3 mg g(-1) seeds and 2.13 mg g(-1) seeds of PC, CH and Qas, respectively. 1-NP mutagenicity was inhibited by 86% for PC, 76% for CH and 75% for Qas at concentrations of 200, 512 and 13.6 microg/tube, respectively.     

Study of the hydrolysis and condensation of γ-Aminopropyltriethoxysilane by FT-IR spectroscopy

The hydrolysis and condensation reactions of γ-APS have been studied in different acid content aqueous solution by using Fourier Transform infrared (FT-IR) spectroscopy. The hydrolysis of γ-APS under the studied conditions can be followed by the increase of the ethanol band located at 882 cm⁻¹ and the decrease of the band due to the ρ(CH₃) of γ-APS molecules located at 959 cm⁻¹. Hydrolysis reaction is faster by increasing both H₂O and acid concentrations, and it is completed when 3 moles of H₂O per mole of γ-APS are used. The increase of the vibrational band located at 1146 cm⁻¹ shows that condensation of the hydrolysed γ-APS molecules take place forming linear chains in poorly cross-linked structures. Besides, both 8-membered cyclic siloxane formations and poorly cross-linked structures are formed and increase as the water and acid content are increased. On the other hand, highly connected cross-linked structures do not appear due to the steric hindrance of the non-hydrolysable aminopropyl group. The silanol band shows that hydrolysis is faster than condensation except for samples with the lowest H₂O content.     

Potential use of phenolic antioxidants on peanut to control growth and aflatoxin B1 accumulation by Aspergillus flavus and Aspergillus parasiticus

Food‐grade antioxidants: butylated hydroxyanisole (BHA), propyl paraben (PP) and butylated hydroxytoluene (BHT) (10 and 20 mmol g^?1) and all the mixtures of these chemicals were tested for inhibitory activity on the growth of and aflatoxin B₁ (AFB₁) accumulation by Aspergillus parasiticus and A. flavus on irradiated (7 kGy) peanut grains. Also, the influence of these treatments was evaluated in different water conditions (0.982, 0.955, 0.937a_w) at 11 and 35 days of incubation at 28 °C. Water activity (a_w) affected the fungal growth, no fungal development was observed at the highest stress water condition (0.937a_w). Butylated hydroxyanisole at 10 mmol g^?1 level and all the mixtures with PP and/or BHT were significantly effective (P = 0.05) in increasing lag phase and reducing growth rate and colony forming units per gram of peanut of both Aspergillus section Flavi strains and AFB₁ accumulation. The application of BHA at concentrations of 20 mmol g^?1 alone or with PP and/or BHT totally inhibited fungal growth at 11 and 35 days of incubation. The results suggest that the addition of these chemical mixtures on peanut grains at low levels has potential to impact synergically on the control of Aspergillus section Flavi. Copyright © 2007 Society of Chemical Industry     

Synthesis and characterization of functional gradient copolymers of glycidyl methacrylate and butyl acrylate

Epoxy-functional spontaneous gradient copolymers of glycidyl methacrylate (G) and n-butyl acrylate (B) were synthesized via atom transfer radical polymerization (ATRP). The copolymerization reactions were carried out in toluene solution at 70 °C, using methyl 2-bromopropionate (MBrP) as initiator and copper chloride with N,N,N′,N′′,N′′-pentamethyldiethylenetriamine (PMDETA) as the catalyst system. The kinetic behaviour of the statistical copolymerizations was studied in a wide composition interval with molar fractions of G ranging from 0.10 to 0.75. The synthesized copolymers were characterized by size exclusion chromatography (SEC) and nuclear magnetic resonance (NMR) spectroscopy. ¹H NMR was employed to determine the copolymer composition, demonstrating the gradient character of the copolymers along the main chain in the whole monomer conversion interval. Apart from this, the sequence distribution and stereoregularity were analyzed. These microstructural experimental data agreed well with those calculated from Mayo-Lewis terminal model (MLTM) and a Bernoullian statistic with an isotacticity parameter of σ_G = 0.28 and a coisotacticity parameter of σ = 0.30.     

X-ray microfluorescence analysis of pigments in decorative paintings from the sarcophagus cartonnage of an Egyptian mummy

This work characterized the elemental composition of the pigments used in decorative paintings from the sarcophagus cartonnage fragments of an Egyptian mummy, using μXRF with Synchrotron Radiation. This female mummy (n.158) is considered one of the most important pieces of the National Museum (Rio de Janeiro, Brazil) because of its unconventional embalming with legs and arms swathed separately. The measurements were performed at the XRF beamline D09B of the Brazilian Synchrotron Light Laboratory (LNLS), using white beam and a Si(Li) detector with resolution of 165 eV at 5.9 keV. The elements found in the samples were: Si, S, Cl, K, Ca, Ti, Cr, Mn, Fe, Ni, Cu, Zn, As, Sr, Hg and Pb.