Search results for "Deute"
showing 10 items of 549 documents
Pleistocene age paleo-groundwater inferred from water-stable isotope values in the central part of the Baltic Artesian Basin.
2016
A new data set of δ(2)H and δ(18)O in the groundwater from the central part of the Baltic Artesian Basin is presented. The hydrogeological section is subdivided into stagnation, slow exchange and active exchange zones. Na-Ca-Cl brine found at the deepest part - the stagnation zone - is characterized by δ(18)O values above -5 ‰ and δ(2)H values approaching -40 ‰ with respect to Vienna Standard Mean Ocean Water. The slow exchange zone where waters of mostly intermediate salinity reside is characterized by δ(18)O values around -11.7 ‰ and δ(2)H values around -85.3 ‰. Mean δ(18)O and δ(2)H values of the fresh groundwater in the active water exchange zone are -11.1 and -79.9 ‰, respectively. Cha…
A standard calculation methodology for human doubly labeled water studies.
2021
Summary The doubly labeled water (DLW) method measures total energy expenditure (TEE) in free-living subjects. Several equations are used to convert isotopic data into TEE. Using the International Atomic Energy Agency (IAEA) DLW database (5,756 measurements of adults and children), we show considerable variability is introduced by different equations. The estimated rCO2 is sensitive to the dilution space ratio (DSR) of the two isotopes. Based on performance in validation studies, we propose a new equation based on a new estimate of the mean DSR. The DSR is lower at low body masses (<10 kg). Using data for 1,021 babies and infants, we show that the DSR varies non-linearly with body mass betw…
Magnetic Polyoxometalates: Anisotropic Antiferro- and Ferromagnetic Exchange Interactions in the Pentameric Cobalt(II) Cluster [Co3W(D2O)2(CoW9O34)2…
2001
The ground-state properties of the pentameric Co(II) cluster [Co(3)W(D(2)O)(2)(CoW(9)O(34))(2)](12-) were investigated by combining magnetic susceptibility and low-temperature magnetization measurements with a detailed inelastic neutron scattering (INS) study on a fully deuterated polycrystalline sample of Na(12)[Co(3)W(D(2)O)(2)(CoW(9)O(34))(2)].46D(2)O. The encapsulated magnetic Co(5) unit consists of three octahedral and two tetrahedral oxo-coordinated Co(II) ions. Thus, two different types of exchange interactions are present within this cluster: a ferromagnetic interaction between the octahedral Co(II) ions and an antiferromagnetic interaction between the octahedral and the tetrahedral…
Slow and fast methyl group rotations in fragile glass-formers studied by NMR
2000
Abstract The spin-lattice relaxation times of the selectively ring deuterated, fragile glass-formers propylene carbonate and toluene were compared with those measured for species which were specifically labeled at the methyl groups. It was found that the dynamics of the CD 3 group is strongly decoupled from that associated with the primary response of toluene, while for propylene carbonate the degree of decoupling is relatively weak. The experimental results could be described successfully using a model which takes into account the ring dynamics as well as those of the methyl group.
Gas-phase ion chemistry of protonated melatonin
2009
The gas-phase ion chemistry of protonated melatonin has been investigated by mass spectrometric (MS) techniques involving chemical ionisation, fast atom bombardment and electrospray ionisation. Either naturally-occurring or collision-induced decomposition experiments have been carried out using side chain tetra-deuterium-labelled derivatives, as well as the corresponding N–D derivatives obtained by exchange with D2O. The analysis of experimental results allows definite pathways for the formation of the ion at m/z 174 to be assigned and sheds some more light on the overall fragmentation pathways. Experiments on labelled derivatives evidenced H–D scrambling processes during fragmentation.
Investigation of diffusion and migration of hydrogen, deuterium and tritium in palladium in a Hall field
1991
Abstract The migration of hydrogen, deuterium and tritium in palladium in a Hall field at 343 K was investigated, using resistance and isotope methods. It was found that all isotopes of hydrogen migrate towards the negative Hall electrode. The effective charges of the migration in a Hall field are 194 ±3 e for hydrogen and 464± 5 e for deuterium and tritium. The results obtained confirm predictions of a tentative model based on the electron-balistic theories of migration in a Hall field.
Automated untargeted stable isotope assisted lipidomics of liver cells on high glucose shows alteration of sphingolipid kinetics
2020
Abstract Untargeted lipidomics is a powerful tool to discover new biomarkers and to understand the physiology and pathology of lipids. The use of stable isotopes as tracers to investigate the kinetics of lipids is another tool able to supply dynamic information on lipid synthesis and catabolism. Coupling the two methodology is then very appealing in the study of lipid metabolism. The main issue to face is to perform thousands of calculations in order to obtain kinetic parameters starting from the MS raw data. An automated computerized routine able to do accomplish such task is presented in this paper. We analyzed the lipid kinetics of palmitic acid (PA) in hepatoma liver cells cultured in v…
Tensor Analyzing Powers for Quasi-Elastic Electron Scattering from Deuterium
1999
We report on a first measurement of tensor analyzing powers in quasi-elastic electron-deuteron scattering at an average three-momentum transfer of 1.7 fm$^{-1}$. Data sensitive to the spin-dependent nucleon density in the deuteron were obtained for missing momenta up to 150 MeV/$c$ with a tensor polarized $^2$H target internal to an electron storage ring. The data are well described by a calculation that includes the effects of final-state interaction, meson-exchange and isobar currents, and leading-order relativistic contributions.
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.
Solution structure of R2Sn(IV)-β-N-Acetyl-Neuraminate (R=Me, Bu) complexes in D2O and DMSO-d6: experimental NMR and DFT computational study.
2007
Two diorganotin(IV)-NANA complexes (NANA (1) = beta-N-acetyl-Neuraminic Acid = 5-amino-3,5-dideoxy-D-glycero-beta-D-galactononulosic acid) with formula Me(2)Sn(iv)NANA (2) and Bu(2)Sn(IV)NANA (3) were synthesized and characterized by (1)H, (13)C and (119)Sn NMR spectroscopy, both in D(2)O and DMSO-d(6) solutions. The experimental data in DMSO suggested the monosaccharide bidentate chelation via O1 carboxylate and vicinal O2 alkoxide atoms, which, in D(2)O, can be dynamically extended to a third binding site (O8 atom) of the pendant chain. Coordination at the tin atom is discussed on the basis of experimental NMR data and DFT calculation.