Search results for "pole [approximation]"
showing 10 items of 522 documents
Evaluation of beauvericin and enniatins in Italian cereal products and multicereal food by liquid chromatography coupled to triple quadrupole mass sp…
2013
In this study, 48 multicereal baby foods samples including 25 of pasta and 23 of multicereal baby foods from supermarkets of Campania region (Italy) were analysed for evaluating the presence of beauvericin (BEA) and enniatins (ENs) A, A1, B, B1 and B4. Subsequently to evaluate the risk exposure of Italian population and infant population over the consumption of pasta or multicereal baby food, was, respectively, evaluated. For the above mentioned evaluation, a method developed in our laboratory by liquid chromatography tandem mass spectrometry was used. A liquid phase dispersion procedure was optimised for the simultaneous extraction of BEA and the five ENs from multicereal baby food samples…
Valence Topological Charge-Transfer Indices for Dipole Moments
2003
Valence topological charge-transfer (CT) indices are applied to the calculation of dipole moments. The dipole moments calculated by algebraic and vector semisums of the CT indices are defined. The combination of the CT indices allows the estimation of the dipole moments. The model is generalized for molecules with heteroatoms. The ability of the indices for the description of the molecular charge distribution is established by comparing them with the dipole moment of the valence-isoelectronic series of benzene and styrene. Two CT indices, μ v e c (vector semisum of vertex-pair dipole moments) and μ V v e c (valence μ v e c ) are proposed. μ v e c and μ V v e c are important for the predicti…
Ultrahigh-Throughput Proteomics Using Fast RPLC Separations with ESI-MS/MS
2005
We describe approaches for proteomics analysis using electrospray ionization-tandem mass spectrometry coupled with fast reversed-phase liquid chromatography (RPLC) separations. The RPLC separations used 50-microm-i.d. fused-silica capillaries packed with submicrometer-sized C18-bonded porous silica particles and achieved peak capacities of 130-420 for analytes from proteome tryptic digests. When these separations were combined with linear ion trap tandem mass spectrometry measurements, approximately 1000 proteins could be identified in 50 min from approximately 4000 identified tryptic peptides; approximately 550 proteins in 20 min from approximately 1800 peptides; and approximately 250 prot…
Site selectivity in excited-state intramolecular proton transfer in flavonols
2001
Abstract To investigate 4′-(diethylamino) (FET) and 4′-N-(15-azacrown-5) (FCR) derivatives of 3-hydroxyflavone in binary solvents and erythrocyte ghosts, we used the red-edge excitation spectroscopy (REES). The results obtained prove the existence of spectral heterogeneity of flavonols in the studied systems. The effect manifests itself in the dependence of the efficiency of excited-state intramolecular proton transfer (ESIPT) on the excitation frequency. The electro-optical absorption method (EOAM) was used to measure the dipole moments of the normal form of FET. The electric dipole moments in the ground (μg) and excited Franck–Condon ( μ e FC ) states have the values 22.7×10−30 and 53.3×1…
Laser control of the radiationless decay in pyrazine using the dynamic Stark effect
2014
The laser control of the radiationless decay between the B(3u)(nπ*) and B(2u)(ππ*) states of pyrazine using the dynamic Stark effect has been investigated. A vibronic coupling model Hamiltonian in diabatic representation, including potential energy, transition dipole, and static polarizability surfaces as a function of the four most important vibrational modes of the molecule has been parametrized using multi-reference electronic structure calculations. The interaction of the molecule with a strong non-resonant laser pulse has been analyzed in terms of dressed potential energy surfaces. Because of the large polarizability difference between the vibronically coupled B(3u)(nπ*) and B(2u)(ππ*)…
Interacting induced dipoles polarization model for molecular polarizabilities: application to benzothiazole (A)-benzobisthiazole (B) oligomers AB13A
1998
Abstract We have outlined a method for the calculation of atomic net charges and molecular dipole-dipole, α , dipole-quadrupole, A , and quadrupole-quadrupole, C , polarizabilities which we have successfully applied to benzothiazole (A)-benzobisthiazole (B) oligomers in the series AB1A to AB13A, and the results have been extrapolated to give predictions for polybenzobisthiazole. The calculation of α , A and C has been carried out by the interacting induced dipoles polarization model that calculates tensor effective anisotropic point polarizabilities (method of Applequist). The mean effective atomic αeffpolarizabilities for the monomeric unit are of the same order of magnitud…
Theoretical study of excitation transfer from modified B800 rings of the LH II antenna complex of Rps. acidophila
2002
The recently developed configuration interaction exciton model has been applied to study spectral shifts and B800 to B850 energy transfer rates in a series of modified LH2 light harvesting antenna complexes of the purple bacterium Rhodopseudomonas acidophila. Complexes, where the in vivo B800 bacteriochlorophyll a chromophores are exchanged with different tetrapyrroles including chlorophyll a were studied. Absorption spectra of the modified complexes were simulated by using quantum chemical methods to evaluate site and interaction energies and exciton theory to generate the eigenstates of the chromophore assemblies. Four experimental input parameters: the transition moment of Bchl a, the di…
Strong CP-violation in an effective chiral lagrangian approach
1991
21 páginas, 2 figuras.-- CERN-TH-6071-91
Bounds on rare decays of η and η′ mesons from the neutron EDM
2019
We provide model-independent bounds on the rates of rare decays $\ensuremath{\eta}({\ensuremath{\eta}}^{\ensuremath{'}})\ensuremath{\rightarrow}\ensuremath{\pi}\ensuremath{\pi}$ based on experimental limits on the neutron electric dipole moment (nEDM). Starting from phenomenological $\ensuremath{\eta}({\ensuremath{\eta}}^{\ensuremath{'}})\ensuremath{\pi}\ensuremath{\pi}$ couplings, the nEDM arises at the two-loop level. The leading-order relativistic chiral perturbation theory calculation with the minimal photon coupling to charged pions and a proton inside the loops leads to a finite, counterterm-free result. This is an improvement upon previous estimates which used approximations in evalu…
Overview of the Cosmic Axion Spin Precession Experiment (CASPEr)
2020
An overview of our experimental program to search for axion and axion-like-particle (ALP) dark matter using nuclear magnetic resonance (NMR) techniques is presented. An oscillating axion field can exert a time-varying torque on nuclear spins either directly or via generation of an oscillating nuclear electric dipole moment (EDM). Magnetic resonance techniques can be used to detect such an effect. The first-generation experiments explore many decades of ALP parameter space beyond the current astrophysical and laboratory bounds. It is anticipated that future versions of the experiments will be sensitive to the axions associated with quantum chromodynamics (QCD) having masses \({\lesssim }10^{…