Mechanism and theory of d-glucopyranose homogeneous acid catalysis in the aqueous solution phase

A detailed systematic theoretical study of the mechanism of the homogeneous Brønsted-acid catalysis of d-glucose in aqueous solution phase ("acid hydrolysis") is reported. G4MP2 with the SMD solvation model at B3LYP/6-31G(2df,p) are employed to compute the free energies of the molecular and ionic species pertaining to the isomerization,...

Impurity profiling of trinitrotoluene using vacuum-outlet gas chromatography-mass spectrometry

In this work, a reliable and robust vacuum-outlet gas chromatography-mass spectrometry (GC-MS) method is introduced for the identification and quantification of impurities in trinitrotoluene (TNT). Vacuum-outlet GC-MS allows for short analysis times the analysis of impurities in TNT was performed in 4. min. This study shows that impurity...

Influence of the isomeric composition of the acceptor on the performance of organic bulk heterojunction P3HT:bis-PCBM solar cells

We synthesized three isomeric subpopulations of bisadduct analogues of [6,6]-phenyl-C61-butyric acid methyl ester (bis-PCBM) via tether-directed control. Bulk heterojunction solar cells prepared using these isomers together with poly(3-hexylthiophene) (P3HT) resulted in an increase of Jsc from 72.4 to 79.6 A m-2, and an improvement in fill...

Stereoisomeric effects in thermo-remendable polymer networks based on diels-alder crosslink reactions

This study describes the synthesis, the spectroscopic, and the thermal characterization of linear and crosslinked polymers as well as a number of corresponding model compounds, containing Diels-Alder adducts derived from furan and maleimide groups. The thermal reversibility (rDA, DA) of structurally varied model compounds, polymeric and network...

Electron trapping in higher adduct fullerene-based solar cells

Here, the performance of bulk-heterojunction solar cells based on a series of bisadduct analogues of commonly used derivatives of C60 and C 70, such PCBMs and theirthienyl versions, is investigated. Dueto their higher lowest unoccupied molecular orbital an increase in open-circuit voltage and thus performance is expected. It is shown that the...

Bioavailability and biodegradation of nonylphenol in sediment determined with chemical and bioanalysis

The surfactant nonylphenol (NP) is an endocrine-disrupting compound that is widely spread throughout the environment. Although environmental risk assessments are based on total NP concentrations, only the bioavailable fraction posses an environmental risk. The present study describes the bioavailability and biodegradability of NP over time in...

Collagen turnover in normal and degenerate human intervertebral discs as determined by the racemization of aspartic acid

Knowledge of rates of protein turnover is important for a quantitative understanding of tissue synthesis and catabolism. In this work, we have used the racemization of aspartic acid as a marker for the turnover of collagen obtained from healthy and pathological human intervertebral disc matrices. We measured the ratio of the D- and L-isomers in...

Influence of organic diet on the amount of conjugated linoleic acids in breast milk of lactating women in the Netherlands

The aim of the present study was to find out whether the incorporation of organic dairy and meat products in the maternal diet affects the contents of the conjugated linoleic acid isomers (CLA) and trans-vaccenic acid (TVA) in human breast milk. To this purpose, milk samples from 312 breastfeeding mothers participating in the KOALA Birth Cohort...

Age-related accumulation of pentosidine in aggrecan and collagen from normal and degenerate human intervertebral discs

During aging and degeneration, many changes occur in the structure and composition of human cartilaginous tissues, which include the accumulation of the AGE (advanced glycation end-product), pentosidine, in long-lived proteins. In the present study, we investigated the accumulation of pentosidine in constituents of the human IVD (intervertebral...

Determination of kava lactones in food supplements by liquid chromatography-atmospheric pressure chemical ionisation tandem mass spectrometry

Reversed-phase liquid chromatography and detection with atmospheric pressure chemical ionisation tandem mass spectrometry was used for the determination of kava extracts in herbal mixtures. One percent of kava extract can be detected, corresponding to approximately 0.05-0.2 mg/g of the individual kava lactones kavain, dihydrokavain, yangonin,...

Effects of cis-9, trans-11 and trans-10, cis-12 conjugated linoleic acid (CLA) isomers on immune function in healthy men

Objectives: To study the effects of two different mixtures of the main conjugated linoleic acid (CLA) isomers cis-9, trans-11 CLA and trans-10, cis-12 CLA on human immune function. Design: Double-blind, randomized, parallel, reference-controlled intervention study. Subjects and intervention: Seventy-one healthy males aged 31-69y received one of...

Association between trans fatty acid intake and cardiovascular risk factors in Europe: The TRANSFAIR study

Background: High intakes of trans fatty acids (TFA) have been found to exert an undersirable effect on serum lipid profiles, and thus may increase the risk for cardiovascular disease. Objective: Investigation of the association between TFA intake and serum lipids. Design: Cross-sectional study in eight European countries (Finland, France, Greece...

Intake of fatty acids in Western Europe with emphasis on trans fatty acids: The TRANSFAIR study

Objective: To assess the intake of trans fatty acids (TFA) and other fatty acids in 14 Western European countries. Design and subjects: A maximum of 100 foods per country were sampled and centrally analysed. Each country calculated the intake of individual trans and other fatty acids, clusters of fatty acids and total fat in adults and/or the...