Search results for "COMPOSITION"
showing 10 items of 2675 documents
Characterisation of the volatile fraction of aromatic caramel using heart-cutting multidimensional gas chromatography
2014
The first aim of our study was to improve characterisation of the volatile fraction of aromatic caramel by applying heart-cutting multidimensional gas chromatography coupled to mass spectrometry and olfactometry (MDGC-MS-O) on targeted odorant fractions. The second aim was to compare the volatile composition of two caramel samples, which differed in terms of their carbohydrate composition and cooking process. MDGC analyses enabled identification of 37 compounds (17 with the addition of pure standard) in the burnt sugar caramel, 20 of which were reported for the first time in caramel. Fifteen compounds were identified as odour-active and described using a range of attributes such as floral, …
Data from: Phylogenomics of Lophotrochozoa with consideration of systematic error
2021
Phylogenomic studies have improved understanding of deep metazoan phylogeny and show promise for resolving incongruences among analyses based on limited numbers of loci. One region of the animal tree that has been especially difficult to resolve, even with phylogenomic approaches, is relationships within Lophotrochozoa (the animal clade that includes molluscs, annelids, and flatworms among others). Lack of resolution in phylogenomic analyses could be due to insufficient phylogenetic signal, limitations in taxon and/or gene sampling, or systematic error. Here, we investigated why lophotrochozoan phylogeny has been such a difficult question to answer by identifying and reducing sources of sys…
Data from: Phylogenomics of Lophotrochozoa with consideration of systematic error
2016
Phylogenomic studies have improved understanding of deep metazoan phylogeny and show promise for resolving incongruences among analyses based on limited numbers of loci. One region of the animal tree that has been especially difficult to resolve, even with phylogenomic approaches, is relationships within Lophotrochozoa (the animal clade that includes molluscs, annelids, and flatworms among others). Lack of resolution in phylogenomic analyses could be due to insufficient phylogenetic signal, limitations in taxon and/or gene sampling, or systematic error. Here, we investigated why lophotrochozoan phylogeny has been such a difficult question to answer by identifying and reducing sources of sys…
Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals
2021
In this contribution, we present the implementation of a second-order complete active space–self-consistent field (CASSCF) algorithm in conjunction with the Cholesky decomposition of the two-electron repulsion integrals. The algorithm, called norm-extended optimization, guarantees convergence of the optimization, but it involves the full Hessian and is therefore computationally expensive. Coupling the second-order procedure with the Cholesky decomposition leads to a significant reduction in the computational cost, reduced memory requirements, and an improved parallel performance. As a result, CASSCF calculations of larger molecular systems become possible as a routine task. The performance …
Association Between Exercise and Pubertal BMD Is Modulated by Estrogen Receptor α Genotype
2003
Genetic and environmental factors contribute to bone mass, but the ways they interact remain poorly understood. This study of 245 pre- and early pubertal girls found that the PvuII polymorphism in the ER- gene modulates the effect of exercise on BMD at loaded bone sites. Introduction: Impaired achievement of bone mass at puberty is an important risk factor for the development of osteoporosis in later life. Genetic, as well as environmental, factors contribute to bone mass, but the ways they interact with each other remain poorly understood. Materials and Methods: We investigated the interaction between a PvuII polymorphism at the ER- gene and physical activity (PA) on the modulation of bone…
The aroma of strawberry (Fragaria ananassa): Characterisation of some cultivars and influence of freezing
1990
The volatiles of six strawberry (Fragaria ananassa Duch) cultivars, both fresh and deep-frozen, were isolated by direct dichloromethane extraction. Sixty compounds were identified and quantified by GC—MS. Characterisation of cultivars was achieved by applying principal component analysis to the chromatographic data. Great differences were observed. Maxim and Directeur Paul Wallbaum are rather low in volatiles while Gariguette and Tioga are rich in mesifurane (2,5-dimethyl-4-methoxy-2,3-dihydrofuran-3-one), furaneol' (2,5-dimethyl-4-hydroxy-2,3-dihydrofuran-3-one) and nerolidol. Esters are the major compounds in Senga Sengana and Vicomtesse Hericart de Thury. This last cultivar is also chara…
A variational method for spectral functions
2016
The Generalized Eigenvalue Problem (GEVP) has been used extensively in the past in order to reliably extract energy levels from time-dependent Euclidean correlators calculated in Lattice QCD. We propose a formulation of the GEVP in frequency space. Our approach consists of applying the model-independent Backus-Gilbert method to a set of Euclidean two-point functions with common quantum numbers. A GEVP analysis in frequency space is then applied to a matrix of estimators that allows us, among other things, to obtain particular linear combinations of the initial set of operators that optimally overlap to different local regions in frequency. We apply this method to lattice data from NRQCD. Th…
Born-Infeld gravity and its functional extensions
2014
We investigate the dynamics of a family of functional extensions of the (Eddington-inspired) Born-Infeld gravity theory, constructed with the inverse of the metric and the Ricci tensor. We provide a generic formal solution for the connection and an Einstein-like representation for the metric field equations of this family of theories. For particular cases we consider applications to the early-time cosmology and find that non-singular universes with a cosmic bounce are very generic and robust solutions.
Investigation of the effect of intensive milling in a planetary ball mill on the thermal decomposition of basic nickel carbonate
2011
The kinetics of thermal decomposition of basic nickel carbonate NiCO3Ni?(OH)2?nH2O and the effect of intensive milling in a planetary ball mill on its parameters, have been investigated. The values of the reaction heat and of the activation energy of thermal decomposition have been determined. Investigations of the thermal decomposition of the products of ball milling of investigated compound revealed a distinct effect of milling on the reaction temperature and heat consumed during the thermal decomposition of investigated compound.
Volatility of secondary organic aerosol during OH radical induced ageing
2011
The aim of this study was to investigate oxidation of SOA formed from ozonolysis of <i>&alpha;</i>-pinene and limonene by hydroxyl radicals. This paper focuses on changes of particle volatility, using a Volatility Tandem DMA (VTDMA) set-up, in order to explain and elucidate the mechanism behind atmospheric ageing of the organic aerosol. The experiments were conducted at the AIDA chamber facility of Karlsruhe Institute of Technology (KIT) in Karlsruhe and at the SAPHIR chamber of Forchungzentrum Jülich (FZJ) in Jülich. A fresh SOA was produced from ozonolysis of <i>&alpha;</i>-pinene or limonene and then aged by enhanced OH exposure. As an OH radical source in…