Search results for "TRIPLE"

Towards an accurate molecular orbital theory for excited states : Ethene, butadiene, and hexatriene

1993

A newly proposed quantum chemical approach for ab initio calculations of electronic spectra of molecular systems is applied to the molecules ethene, trans‐1,3‐butadiene, and trans‐trans‐1,3,5‐hexatriene. The method has the aim of being accurate to better than 0.5 eV for excitation energies and is expected to provide structural and physical data for the excited states with good reliability. The approach is based on the complete active space (CAS) SCF method, which gives a proper description of the major features in the electronic structure of the excited state, independent of its complexity, accounts for all near degeneracy effects, and includes full orbital relaxation. Remaining dynamic ele…

Palladium on pumice: new catalysts for the stereoselective semihydrogenation of alkynes to (Z)-alkenes

2001

Abstract High selectivities (93–99%) and excellent stereoselectivities (>99%) in the semihydrogenation of CC triple bonds were achieved using palladium on pumice with a metal loading of 0.5, 1.5 or 3.0% wt as catalyst. The reactions were carried out in ethanol or tetrahydrofuran with only 2.5% of ethylenediamine allowing a self-terminating semihydrogenation independently on the CC triple bond.

ChemInform Abstract: Palladium on Pumice: New Catalysts for the Stereoselective Semihydrogenation of Alkynes to (Z)-Alkenes.

2010

Abstract High selectivities (93–99%) and excellent stereoselectivities (>99%) in the semihydrogenation of CC triple bonds were achieved using palladium on pumice with a metal loading of 0.5, 1.5 or 3.0% wt as catalyst. The reactions were carried out in ethanol or tetrahydrofuran with only 2.5% of ethylenediamine allowing a self-terminating semihydrogenation independently on the CC triple bond.

First-trimester diagnosis of thrombocytopenia-absent radius (TAR) syndrome in a triplet pregnancy

2005

Lāzer-inducētās fluorescences pāreju no A-b kompleksa uz (1)3Sigma(+) stāvokli novērošana un analīze RbCs molekulā

2019

Šajā bakalaura darbā tika pētītas pārejas RbCs molekulā no A^1 Σ^+~b^3 Π kompleksa uz a^3 Σ^+ un X^1 Σ^+ stāvokli. Pētījuma metode bija lāzer-inducētās fluorescence kombinācijā augstas izšķiršanas spējas Furjē transformāciju spektru reģistrāciju. RbCs molekulas tika ierosinātas izmantojot titāna-safīra lāzeru. Reģistrētajos lāzer-inducētās fluorescences spektros tika novērotas intensīvas pārejas uz singleta stāvokli X^1 Σ^+ un ārkārtīgi vājas pārejas uz tripleta a^3 Σ^+ stāvokli no kopīga A-b kompleksa līmeņa. Tika noteikti relatīvie intensitāšu sadalījumi pētāmajās progresijās, kā arī novērtēta summārā intensitāšu attiecība (sazarošanās attiecība) starp pārejām uz tripleta un singleta stāv…

Distribution and fate of perfluoroalkyl substances in Mediterranean Spanish sewage treatment plants.

2014

The concentrations of 21 perfluoroalkyl substances (PFASs: C4-C14, C16, C18 carboxylates, C4, C6-C8 and C10 sulfonates and C8 sulfonamide) were determined in influent, effluent and sludge from 16 different sewage treatment plants (STPs) located in the Ebro (6), Guadalquivir (5), Jucar (2) and Llobregat (3) Rivers, in two consecutive years (2010 and 2011). The analytes were extracted by solid phase extraction (SPE) and determined by Liquid Chromatography triple Quadrupole Mass Spectrometer (LC-QqQ-MS). All samples, except two sludges from Guadalquivir River STPs, were contaminated with at least one PFAS. Perfluorobutanoate (PFBA), perfluoropentanoate (PFPeA) and perfluorooctane sulfonate (L-…

Effectiveness of Entrepreneurial Universities: Experiences and Challenges in Digital Era (A Systemic Approach)

2021

The modern world actively discusses the challenges that will lead to the Fourth Industrial Revolution. As the specialists assume, part of the jobs will be replaced by artificial intelligence. In addition, creation of completely new jobs is expected. As for the jobs that might be maintained in future, skills upgrading will be particularly important. In such a turbulent environment of economic development, universities, and in particular entrepreneurial universities, play a significant role. We think so as these universities have special structures that promote form a university-industry-government triple helix, reskilling and commercialization of new ideas, etc. Due to the above-mentioned fa…

Analysis of fumonisins in corn-based food by liquid chromatography with fluorescence and mass spectrometry detectors

2008

Abstract The presented procedure involves an extraction with methanol–water, centrifugation and cleanup with immunoaffinity columns. A comparison study between fluorescence detector, mass spectrometry, and tandem mass spectrometry with a triple quadrupole (QqQ) analyzer using an electrospray ionisation interface for the determination of fumonisin B1 and B2 in corn-based products has been performed. Limits of quantification obtained by the three detectors were lower than the maximum levels established by European Commission. Liquid chromatography coupled to tandem mass spectrometry provides higher sensitivity (12 μg kg−1for fumonisins B1 and B2) when compared to mass spectrometry (40 μg kg−1…

Determination of mycotoxins in bee pollen by gas chromatography-tandem mass spectrometry.

2013

Bee pollen, promoted as a natural food supplement, is consumed increasingly by people to maintain a healthy diet. Depending on environmental conditions, pollen can also be an optimum medium for growth of molds such as Fusarium and Penicillium . A quick, easy, cheap, rapid, and safe (QuEChERS) extraction procedure followed by a gas chromatography-tandem mass spectrometry (GC-MS/MS) determination of eight selected Fusarium toxins in bee pollen was developed and optimized. Recovery studies at 20, 80, and 1000 μg/kg showed values between 73 and 95% with relative standard deviations (RSDs) of15% for all studied mycotoxins. Limits of quantitation (LOQ) ranged from 1 to 4 μg/kg. The proposed metho…

Emerging Fusarium mycotoxins in organic and conventional pasta collected in Spain

2012

Abstract One of the main sources of emerging Fusarium mycotoxins in human nutrition is the cereals and cereal products. In this study, an analytical method to determine enniatins A, A1, B and B1 (ENs), beauvericin (BEA) and fusaproliferin (FUS) based on Ultra-Turrax extraction followed by liquid chromatography coupled to triple quadrupole mass spectrometer detector (MS/MS QqQ), was applied for the analysis of pasta. For this purpose, 114 commercial samples of pasta were acquired from supermarkets located in Valencia. The results showed higher frequencies of contamination in organic pasta than in conventional pasta, while the concentration levels were variable for both types of pasta. In pos…