Search results for "TRIPLE"
showing 10 items of 506 documents
Static Properties of a Simulated Supercooled Polymer Melt: Structure Factors, Monomer Distributions Relative to the Center of Mass, and Triple Correl…
2004
We analyze structural and conformational properties in a simulated bead-spring model of a non-entangled, supercooled polymer melt. We explore the statics of the model via various structure factors, involving not only the monomers, but also the center of mass (CM). We find that the conformation of the chains and the CM-CM structure factor, which is well described by a recently proposed approximation [Krakoviack et al., Europhys. Lett. 58, 53 (2002)], remain essentially unchanged on cooling toward the critical glass transition temperature of mode-coupling theory. Spatial correlations between monomers on different chains, however, depend on temperature, albeit smoothly. This implies that the g…
Complete basis set B3LYP NMR calculations of CDCl3solvent's water fine spectral details
2008
The assignment of singlet at 1.55 ppm and the 1:1:1 triplet at 1.519 ppm to H2O and HOD in the 400 MHz 1H NMR spectrum of CDCl3 solvent were supported by complete basis set (CBS) GIAO-B3LYP calculated chemical shift and the CBS B3LYP estimated 2J(D,H) spin–spin coupling constant (SSCC). The CBS fitting of B3LYP/cc-pCVxZ and B3LYP/pcJ-n predicted SSCC values, the accurate value of 2J(D,H) = − 1.082 ± 0.030 Hz of HOD in chloroform-d1 and the H/D isotopic shift of 0.0307(1) ppm were reported for the first time. The agreement between CBS B3LYP predicted chemical shift, spin–spin values and experiment was good. Copyright © 2008 John Wiley & Sons, Ltd.
Radio emission in ultracool dwarfs: the nearby substellar triple system VHS 1256$-$1257
2018
Aims. With the purpose of investigating the radio emission of new ultracool objects, we carried out a targeted search in the recently discovered system VHS J125601.92-125723.9 (hereafter VHS 1256-1257); this system is composed by an equal-mass M7.5 binary and a L7 low-mass substellar object located at only 15.8 pc. Methods. We observed in phase-reference mode the system VHS 1256-1257 with the Karl G. Jansky Very Large Array at X band and L band and with the European VLBI Network at L band in several epochs during 2015 and 2016. Results. We discovered radio emission at X band spatially coincident with the equal-mass M7.5 binary with a flux density of 60 μJy. We determined a spectral index α …
Hybrid functional study of structural, electronic and magnetic properties of S-doped ZnO with and without neutral vacancy
2013
Abstract The structural and electronic properties of S-doped ZnO are investigated by density functional theory (DFT) and empirical pseudopotential method (EPM). Using the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional with an adjusted mixing coefficient α , we obtain a good agreement on lattice parameters and band gap energy with the available experimental data. We have also investigate the Zn-vacancy effects on the electronic and magnetic properties of S-doped ZnO. Our calculations demonstrate that S impurity prefers to be close to the cation vacancy in the apical position. The magnetic analysis with the HSE functional shows a triplet state character with a total magnetic moment of 1.81 μ…
Neutriinojen sekoitusmatriisin Majorana-vaiheet
2013
Lukuisat hiukkasfysiikan kokeet ovat vahvistaneet neutriinojen olevan massallisia hiukkasia ja kykenevän muuttumaan neutriinotyypistä toiseen. Tätä niin kutsuttua neutriino-oskillaatiota parametrisoi neutriinojen sekoitusmatriisi, jota puolestaan parametrisoi kolmen sekoituskulman lisäksi yksi tai kolme CP-symmetriaa rikkovaa vaihetta riippuen siitä ovatko neutriinot Dirac- tai Majorana-hiukkasia. Tässä työssä tarkasteltiin edellä mainittujen Dirac- ja Majorana-vaiheiden merkitystä neutriino-oskillaatioissa, neutriinonottomassa kaksoisbeetahajoamisessa, Higgsin triplettimallissa ja baryoniepäsymmetrian synnyttäneessä leptonigeneesissä. Neutriino-oskillaation tarkastelua varten johdettiin ne…
Clinical parameters to guide decision-making in elderly metastatic colorectal CANCER patients treated with intensive cytotoxic and anti-angiogenic th…
2017
// Gemma Bruera 1, 2 , Antonio Russo 3 , Antonio Galvano 3 , Sergio Rizzo 3 and Enrico Ricevuto 1, 2 1 Oncology Territorial Care, S. Salvatore Hospital, Oncology Network ASL1 Abruzzo, University of L’Aquila, L’Aquila, Italy 2 Department of Biotechnological and Applied Clinical Sciences, University of L’Aquila, L’Aquila, Italy 3 Medical Oncology, Department of Surgical, Oncological and Stomatological Sciences, University of Palermo, Palermo, Italy Correspondence to: Antonio Russo, email: antonio.russo@usa.net Keywords: elderly, intensive treatment, metastatic colorectal cancer, triplet chemotherapy plus bevacizumab, unfit Received: June 07, 2016 Accepted: November 24, 2016 Published:…
Muscarinic Properties of Compounds Related to Arecaidine Propargyl Ester
2011
A series of new analogues of the arecaidine propargyl ester (CAS 35516-99-5, APE, 1a) with alcohols consisting of 4 or 5 carbon atoms were investigated at muscarinic receptor subtypes. The muscarinic activity of the quaternary and tertiary salts of the APE-related compounds were assayed on the isolated guinea-pig ileum (M 3 receptor subtype) and guinea-pig left atria (M 2 receptor subtype) as well as on rabbit isolated vas deferens (M 1 receptor subtype). The structural variations made in the APE molecule, replacing the triple bond in the ester side chain with structures such as double bond, an allene moiety, a single bond, a cyclopropyl group or two triple bonds should alter the selectivit…
ATXN2 trinucleotide repeat length correlates with risk of ALS
2017
We investigated a CAG trinucleotide repeat expansion in the ATXN2 gene in amyotrophic lateral sclerosis (ALS). Two new case-control studies, a British dataset of 1474 ALS cases and 567 controls, and a Dutch dataset of 1328 ALS cases and 691 controls were analyzed. In addition, to increase power, we systematically searched PubMed for case-control studies published after 1 August 2010 that investigated the association between ATXN2 intermediate repeats and ALS. We conducted a meta-analysis of the new and existing studies for the relative risks of ATXN2 intermediate repeat alleles of between 24 and 34 CAG trinucleotide repeats and ALS. There was an overall increased risk of ALS for those carry…
European Registry on Helicobacter pylori management (Hp-EuReg): patterns and trends in first-line empirical eradication prescription and outcomes of …
2020
ObjectiveThe best approach for Helicobacter pylori management remains unclear. An audit process is essential to ensure clinical practice is aligned with best standards of care.DesignInternational multicentre prospective non-interventional registry starting in 2013 aimed to evaluate the decisions and outcomes in H. pylori management by European gastroenterologists. Patients were registered in an e-CRF by AEG-REDCap. Variables included demographics, previous eradication attempts, prescribed treatment, adverse events and outcomes. Data monitoring was performed to ensure data quality. Time-trend and geographical analyses were performed.Results30 394 patients from 27 European countries were eval…
Targeting metabolomics analysis of the sunscreen agent 2-ethylhexyl 4-(N,N-dimethylamino)benzoate in human urine by automated on-line solid-phase ext…
2011
The in vivo metabolism of the xenobiotic agent 2-ethylhexyl 4-(N,N-dimethylamino)benzoate (EDP), a UV filter commonly used in sunscreen cosmetic products, was studied by targeting metabolomics analysis in human urine. The metabolomic study involved the use of urine from male and female volunteers before and after application of an EDP-containing sunscreen cosmetic. The metabolism of EDP in urine was studied by using the triple quadrupole detector in a combination of Precursor Ion Scanning and Neutral Loss Scanning modes, with and without enzymatic hydrolysis. Detected metabolites were subsequently confirmed as glucuronide conjugates of 4-(N,N-dimethylamino)benzoic acid and 4-(N-methylamino)…