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Deuterium (1):
Recent article
Deuterium
Abstract
We report the identification of additional hydrocarbon products [α-butylene, n-butane, and methane (CH(4))] in a scaled-up reaction featuring 20 milligrams of vanadium-iron protein, the catalytic component of vanadium nitrogenase. Additionally, we show that the more common molybdenum-dependent nitr...
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PMID: 21817053
PDF is available here.
PDF is available here.
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Abstract
The LLOQ was 1 nmol/l for methotrexate and 7-hydroxymethotrexate while the limit of detection was 0.3 nmol/l for both analytes. The new developed method was cross-validated by a fluorescence polarization immunoassay and tested for its clinical feasibility by measuring plasma samples from patients su...
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PMID: 21679031
PDF is available here.
PDF is available here.
Abstract
A simple and sensitive analytical method was developed for the simultaneous determination of clenbuterol, chloramphenicol and diethylstilbestrol in bovine milk by isotope dilution ultra performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS). Samples were directly pur...
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PMID: 21397571
PDF is available here.
PDF is available here.
Abstract
Quorum sensing plays a central role in regulating many community-derived symbiotic and pathogenic relationships of bacteria, and as such has attracted much attention in recent years. Acyl-homoserine lactones (AHLs) are important signaling molecules in the quorum sensing gene-regulatory processes fou...
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PMID: 21031311
PDF is available here.
PDF is available here.
Abstract
Salt cress (Thellungiella salsuginea also known as T. halophila) is a wild cruciferous extremophile highly resistant to salt, drought, and cold. The recent discovery that salt cress produces the phytoalexins wasalexins A and B, and the phytoanticipins 1-methoxyglucobrassicin and 4-methoxyglucobrassi...
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PMID: 20848032
PDF is available here.
PDF is available here.
Chemical Communications (46)42 2010
Abstract
The ruthenium hydride of (Ar(4)CpOH)Ru(CO)(2)H exchanges cleanly and rapidly with D(2) at room temperature to generate the ruthenium deuteride. A chain mechanism is proposed to explain the much more rapid exchange of RuH/D(2) than RuCO exchange with (13)CO.
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PMID: 20856982
PDF is available here.
PDF is available here.
Abstract
This article analyses the mechanisms of inelastic and reactive H + D(2)(v = 0, j = 2) collisions that result in highly vibrationally excited products when the collision energy is 1.70 eV. The analytical method is entirely quantum mechanical and focuses on correlations between the polarization of the...
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PMID: 20852814
PDF is available here.
PDF is available here.
Abstract
These results demonstrate the potential utility of HDX to probe conformational and dynamical changes within non-covalently bound protein-ligand complexes which are of widespread importance in many biomolecular systems....
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PMID: 20877857
PDF is available here.
PDF is available here.
Abstract
Phosphoric acid in water and heavy water has been studied by Raman and infrared spectroscopy over a broad concentration range (0.00873-1.560 mol kg(-1)) at 23 °C. The vibrational modes of the PO(4) skeleton (C(3v) symmetry) of H(3)PO(4)(aq) and D(3)PO(4)(D(2)O) have been assigned. In addition to th...
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PMID: 20830396
PDF is available here.
PDF is available here.
Abstract
The extent to which deuterium can act as a protecting group to prevent unwanted 1,5-hydrogen atom transfer to aryl and vinyl radical intermediates was examined in the context of the generation of α-aminoalkyl radicals in a pyrrolidine ring. Intra- and intermolecular radical trapping following hydro...
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PMID: 20714669
PDF is available here.
PDF is available here.
Abstract
Ab initio Hartree-Fock (HF), density functional theory (DFT) and second-order Møller-Plesset (MP2) methods were used to perform harmonic and anharmonic calculations for the biomolecule cytosine and its deuterated derivative. The anharmonic vibrational spectra were computed using the vibrational sel...
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PMID: 20638327
PDF is available here.
PDF is available here.
Abstract
The purpose of this study was to analyse the association between body composition changes, from a weight stable period to prior competition, on upper-body power in judo athletes. 27 top-level male athletes were evaluated at baseline (weight stable period) and 1-3 days before competition, with a time...
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PMID: 20645233
PDF is available here.
PDF is available here.
Abstract
We present a simple method, ARTSY, for extracting ¹J(NH) couplings and ¹H-¹⁵N RDCs from an interleaved set of two-dimensional ¹H-¹⁵N TROSY-HSQC spectra, based on the principle of quantitative J correlation. The primary advantage of the ARTSY method over other methods is the ability to measu...
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PMID: 20694505
PDF is available here.
PDF is available here.
Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment and General Theory (114)37 2010
Abstract
We find that the dissociation of (H(2)O)(2)H(+) and (D(2)O)(2)D(+) exhibits a distinct threshold behavior due to the existence of activation energies. Moreover, the deviation between the harmonic and anharmonic dissociation rate constants becomes larger in the high energy or temperature range, with...
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PMID: 20722362
PDF is available here.
PDF is available here.
Abstract
We compared these IS surrogates to the gold standard (euglycemic-hyperinsulinemic clamp). Thirty (15 male/15 female) sedentary, nondiabetic participants (27.2 +/- 4.0 (s.d.) kg/m(2), 35 +/- 12 years) were admitted for 3 days to our in-patient unit. After a 10-h fast, they received 60 g of glucose an...
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PMID: 20360760
PDF is available here.
PDF is available here.
Abstract
This study presents selected results, applying environmental tracers to investigate lake water-groundwater interactions at two study sites located in Lusatia, Germany. The focus of the investigations were two meromictic pit lakes and their adjacent aquifers. In order to follow hydrodynamic processes...
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PMID: 20645204
PDF is available here.
PDF is available here.
Abstract
The stable isotope dilution measurement of bile acid pool sizes and turnover rates in humans has involved the collection of nine blood samples over four days. This precludes widespread application to larger population studies. This study describes a two time-point approach for blood sampling without...
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PMID: 20645205
PDF is available here.
PDF is available here.
Abstract
The transition state region for neutral hydrogen transfer reactions can be accessed by photodetachment of a stable negative ion with a geometry similar to that of the neutral transition state. In this work the SH + H(2)S and SD + D(2)S reactions are investigated by photodetachment-photoelectron spec...
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PMID: 20556264
PDF is available here.
PDF is available here.
Abstract
We illustrate these principles here with a study of the functional and conformational changes that accompany modifications to a monoclonal immunoglobulin gamma1 (IgG1) antibody. IgG1s are large and heterogeneous proteins capable of incorporating a multiplicity of PTMs both in vivo and in vitro. For...
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PMID: 20103567
PDF is available here.
PDF is available here.
Abstract
HK97 is a double-stranded DNA bacteriophage that undergoes dramatic conformational changes during viral capsid maturation and for which x-ray structures, at near atomic resolution, of multiple intermediate and mature capsid states are available. Both amide H/(2)H exchange and crystallographic compar...
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PMID: 20332083
PDF is available here.
PDF is available here.
Journal of Nutrition (140)8 2010
Abstract
Our primary aim in this study was to validate cross-sectional time series (CSTS) and multivariate adaptive regression splines (MARS) models based on observable participant characteristics, heart rate (HR), and accelerometer counts (AC) for prediction of minute-by-minute EE, and hence 24-h total EE (...
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PMID: 20573939
PDF is available here.
PDF is available here.
Abstract
We applied the approach to human adult hemoglobin (Hb A), a 64 kDa, tetrameric protein that requires significant post-expression processing. This aspect accentuates the need for high yield. Using specially adapted JM109(DE3) Escherichia coli, we developed a shake-flask approach to express >90% deute...
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PMID: 20226862
PDF is available here.
PDF is available here.
Abstract
We analyzed the stable carbon (delta(13)C), hydrogen (deltaD), and nitrogen (delta(15)N) isotope composition of peregrine eggs collected from urban and nonurban habitats. We found that delta(13)C values were significantly higher in urban versus nonurban eggs, suggesting that urban peregrines indirec...
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PMID: 20540532
PDF is available here.
PDF is available here.
Biochemistry (Washington) (49)23 2010
Abstract
We monitored structural changes occurring in HCV core protein and loop IIId upon formation of nucleocapsid-like particles (NLPs). The protein secondary structure of these particles involves beta-sheet enrichment in relation to its protein monomer. The phosphodiester backbone vibrations of loop IIId...
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PMID: 20469947
PDF is available here.
PDF is available here.
Abstract
We report hydrogen deuterium exchange by mass spectrometry (HDX-MS) as a function of temperature in a thermophilic dihydrofolate reductase from Bacillus stearothermophilus (Bs-DHFR). Protein stability, probed with circular dichroism, established an accessible temperature range of 10 degrees C to 55...
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PMID: 20534574
PDF is available here.
PDF is available here.
Abstract
A method for identifying cysteine (Cys) residues with sulfhydryl (SH) groups exhibiting slow hydrogen exchange rates has been developed for proteins in aqueous media. The method utilizes the isotope shifts of the C(beta) chemical shifts induced by the deuteration of the SH groups. The 18.2 kDa E. co...
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PMID: 20384326
PDF is available here.
PDF is available here.
Narrow carbonyl resonances in proton-diluted proteins facilitate NMR assignments in the solid-state.
Abstract
HNCO/HNCACO type correlation experiments are an alternative for assignment of backbone resonances in extensively deuterated proteins in the solid-state, given the fact that line widths on the order of 14-17 Hz are achieved in the carbonyl dimension without the need of high power decoupling. The achi...
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PMID: 20232230
PDF is available here.
PDF is available here.
Abstract
We present a (13)C direct detection CACA-TOCSY experiment for samples with alternate (13)C-(12)C labeling. It provides inter-residue correlations between (13)C(alpha) resonances of residue i and adjacent C(alpha)s at positions i - 1 and i + 1. Furthermore, longer mixing times yield correlations to C...
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PMID: 20383561
PDF is available here.
PDF is available here.
The Journal of Chemical Physics (132)15 2010
Abstract
The transition wave numbers from selected rovibrational levels of the EF (1)Sigma(g) (+)(v=0) state to selected np Rydberg states of ortho- and para-D(2) located below the adiabatic ionization threshold have been measured at a precision better than 10(-3) cm(-1). Adding these wave numbers to the pre...
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PMID: 20423175
PDF is available here.
PDF is available here.
Biophysical Journal (98)8 2010
Abstract
The effect of nonionic detergents of the n-alkyl-beta-D-glucopyranoside class on the ordering of lipid bilayers and the dynamics of membrane-embedded peptides were investigated with 2H- and 31P-NMR. 1,2-dipalmitoyl-sn-glycero-3-phosphocholine was selectively deuterated at methylene segments C-2, C-7...
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PMID: 20409472
PDF is available here.
PDF is available here.
Abstract
We produced (2)H, (15)N, (13)C labelled-Nurr1 to generate the backbone amide NH, carbonyl C', C(alpha) and C(beta) assignments. About 84.0% of residues could be assigned. Most of the 37 missing assignments fall in 3 regions of the protein. Two of these surround a putative ligand-binding region of Nu...
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PMID: 20300892
PDF is available here.
PDF is available here.
Naturwissenschaften (97)4 2010
Abstract
We have computed estimates of the expected neutron and x-ray emission as a function of helium energy and compared the results with upper limits taken from experiments. Experimental results with upper limits of neutron emission between 0.008 and 0.8 n/J are found to correspond to upper limits in alph...
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PMID: 20143040
PDF is available here.
PDF is available here.
Abstract
These results give additional insights into the diverse active site architectures of the largely versatile short-chain dehydrogenase superfamily enzymes. A feasible protocol for the synthesis of [4R-(2)H]NADH with high yield was also set up by enzymatic oxidation of 2-propanol-d(8) catalyzed by Baci...
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PMID: 19807673
PDF is available here.
PDF is available here.
Abstract
We investigate methyl group dynamics of a key hydrophobic core leucine residue in chicken villin headpiece subdomain protein at 140-4 K using deuteron NMR longitudinal relaxation measurements. A distinct increase in the apparent activation energy is observed at approximately 95 K, indicating an abru...
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PMID: 20201523
PDF is available here.
PDF is available here.
Abstract
We developed a simultaneous quantification method of [(2)H(7)]methionine, [(2)H(4)]methionine, methionine, [(2)H(4)]homocysteine and homocysteine in rat plasma by gas chromatography-mass spectrometry (GC-MS). [(13)C]Methionine and [(13)C]homocysteine were used as analytical internal standards to acc...
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PMID: 20044317
PDF is available here.
PDF is available here.
Abstract
Prunusins A (1) and B (2), the new C-alkylated flavonoids, have been isolated from the seed kernels of Prunus domestica. Their structures were assigned from (1)H and (13)C nuclear magnetic resonating spectra, DEPT and by correlation spectroscopy, HMQC and HMBC experiments. 3, 5, 7, 4...
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PMID: 19918802
PDF is available here.
PDF is available here.
Abstract
Three new furan and pyran derivatives named aspericins A-C (1-3), as well as a known asperic acid (4), have been isolated from the marine-derived fungus Rhizopus sp. 2-PDA-61. The complete (1)H and (13)C NMR assignments for the new compounds were carried out using (1)H, (13)C, DEPT,...
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PMID: 19937604
PDF is available here.
PDF is available here.
Abstract
Peak distortion caused by homonuclear (1)H J-coupling is a major problem in many spin-echo-based experiments such as pulsed gradient spin-echo (PGSE) experiments. Although peak phase distortions can be lessened by the incorporation of anti-phase purging sequences, the sensitivity is...
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PMID: 19998386
PDF is available here.
PDF is available here.
Abstract
We demonstrate that untreated diabetes mellitus results in distinct combinations, or signatures, of the hydrogen (delta2H) and oxygen (delta18O) isotope ratios in body water. Additionally, we show that the delta2H and delta18O values of body water are correlated with increased water flux, suggesting...
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PMID: 20657736
PDF is available here.
PDF is available here.
Abstract
Biotransformation of deuterated-4'-O-methylnorbelladine into alkaloids galanthamine and lycorine in tissue cultures of Leucojum aestivum was demonstrated using HPLC coupled to mass spectrometry. GC-MS screening was also carried to investigate other native and deuterated alkaloids. A total of six lab...
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PMID: 20066175
PDF is available here.
PDF is available here.
Abstract
The mean difference between PAL(cell) and PAL(ref) was small (0.014) with narrow limits of agreement (2SD = 0.30). Compared with PAL(ref), the mean difference was also small for PAL(quest1) and PAL(quest2) (0.004 and 0.07, respectively); however, the limits of agreement were wider (PAL(quest1), 2SD...
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PMID: 20118036
PDF is available here.
PDF is available here.
Abstract
In the gas phase, some properties of native versus denatured protein conformations correspond to those in solution, such as affinity for protons and physical cross section. However, the capacity for hydrogen/deutrerium exchange is the opposite, with ubiquitin 7+ and 13+ ions exchanging >-60 D and ap...
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PMID: 20530828
PDF is available here.
PDF is available here.
Abstract
3'-Deuteriothalidomide was synthesized and found to be configurationally five times more stable than thalidomide toward racemization at physiological pH.
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PMID: 20045977
PDF is available here.
PDF is available here.
Abstract
These results represent evidence of tautomerism of 5-methyl-2,3-dihydropyrazines (imine forms) to the latent enamine tautomers, and suggest that DHPs may behave as enamines to a significant degree under physiological conditions....
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PMID: 20606338
PDF is available here.
PDF is available here.
Abstract
A sensitive laser spectrometer, named IRIS (water isotope ratio infrared spectrometer), was developed for the in situ detection of the isotopic composition of water vapour in the upper troposphere and the lower stratosphere. Isotope ratio measurements can be used to quantify troposphere-stratosphere...
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PMID: 19670069
PDF is available here.
PDF is available here.
British Journal of Nutrition (102)12 2009
Abstract
Gambian infants show growth faltering, but the underlying body composition is unknown. The present study aimed to compare body composition in Gambian and UK infants using 2H dilution; and to evaluate accuracy of bioelectrical impedance analysis (BIA) and creatinine excretion for estimating lean mass...
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PMID: 19682404
PDF is available here.
PDF is available here.
Audio, Transactions of the IRE Professional Group on (Chapter 17) 2009
Abstract
By taking advantage of labeling methods such as hydrogen exchange (HX), many details about protein conformation, dynamics, and interactions can be revealed by mass spectrometry. In this unit, hydrogen exchange theory is discussed as it applies to HX-MS protocols, the practice of HX-MS including data...
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PMID: 19937720
PDF is available here.
PDF is available here.
Abstract
We demonstrate that the mobility of specific leucine side chains at the interface is quantifiable in terms of their surface proximity....
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PMID: 19764755
PDF is available here.
PDF is available here.
Biochemistry (Washington) (48)41 2009
Abstract
We recently demonstrated that laforin removes phosphate from phosphoglucans and hypothesized that this function inhibits insoluble glucan accumulation. Loss of SEX4 function in plants yields a similar cellular phenotype; an excess amount of insoluble, hyperphosphorylated glucans accumulates in cells...
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PMID: 19754155
PDF is available here.
PDF is available here.
Abstract
We present a 3D dipolar recoupling experiment in which the (1)H,(15)N dipolar coupling is reintroduced in the indirect dimension using phase-inverted CP to eliminate effects from rf inhomogeneity. We find no variation of the N-H dipolar coupling as a function of hydrogen bonding. Instead, variations...
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PMID: 19743845
PDF is available here.
PDF is available here.
Abstract
Primary product isotope effects (PIEs) on L(+) and carboxylic acid catalyzed protonation of ring-substituted alpha-methoxystyrenes (X-1) to form oxocarbenium ions X-2(+) in 50/50 (v/v) HOH/DOD were calculated from the yields of the alpha-CH(3) and alpha-CH(2)D labeled ketone products, determined by...
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PMID: 19788330
PDF is available here.
PDF is available here.
Bioscience Reports (29)5 2009
Abstract
We conclude that all six Kv channels (voltage-gated K+ channels) contribute to the alpha2,8-linked sialylated N-glycan pool in mammalian brain and furthermore that their N-glycan structures contain branched sialyl residues. Identification of these novel and unique sialylated N-glycan structures impl...
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PMID: 18937645
PDF is available here.
PDF is available here.
Abstract
With the goal of investigating dynamical features of hydrophobic cores of proteins over a wide range of temperatures, the chicken villin headpiece subdomain protein (HP36) was labeled at a "single" site corresponding to any one of the two C(delta)D(3) groups of leucine-69, which is located in a key...
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PMID: 19772361
PDF is available here.
PDF is available here.
Abstract
We investigated the utility of tandem mass spectrometry (MS/MS) for providing an alternative to the conventional MS mode of operation applied to bottom-up H/DX experiments. Specifically, we aimed to determine whether differential deuteration measurements of collisionally induced dissociation (CID)-g...
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PMID: 19681596
PDF is available here.
PDF is available here.
Abstract
Hydrogen/deuterium exchange (HDX) combined with mass spectrometry (MS) detection has matured in recent years to become a powerful tool in structural biology and biophysics. Several limitations of this technique can and will be addressed by tapping into the ever expanding arsenal of methods to manipu...
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PMID: 19694441
PDF is available here.
PDF is available here.
Abstract
Understanding as much as possible about proteins in the shortest amount of time has long been a goal of hydrogen exchange (HX) MS. Recent technological advances have led to improvements in the technique, but has this goal yet been achieved? (To listen to a podcast about this Feature, please go to th...
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PMID: 19788312
PDF is available here.
PDF is available here.
Abstract
We report a new method for the highly regio-, diastereo-, and enantioselective palladium-catalyzed allylic alkylation of 2-substituted pyridines that allows for the formation of homoallylic stereocenters containing alkyl, aryl, heteroaryl, and nitrogen substituents. When the reaction is conducted wi...
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PMID: 19645450
PDF is available here.
PDF is available here.
Biochemistry (Washington) (48)35 2009
Abstract
Chloride intracellular channel protein 1 (CLIC1) functions as an anion channel in plasma and nuclear membranes when its soluble monomeric form converts to an integral-membrane form. The transmembrane region of CLIC1 is located in its thioredoxin-like domain 1, but the mechanism whereby the protein c...
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PMID: 19650640
PDF is available here.
PDF is available here.
Biochemistry (Washington) (48)35 2009
Abstract
We analyze the folding pathway of onconase, a homologous protein from the Northern leopard frog with great potential as a tumor therapeutic, by high-resolution techniques. Although onconase and RNase A significantly differ in the primary structure (28% sequence identity) and in thermodynamic stabili...
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PMID: 19655705
PDF is available here.
PDF is available here.
Physical Review E (80)3 Pt 2 2009
Abstract
A magnetic deflection-energy analyzer and Faraday trap diagnostic have been used to make measurements of divergent deuterium anion flow in the inertial electrostatic confinement experiment at the University of Wisconsin-Madison (UW-IEC) [J. F. Santarius, G. L. Kulcinski, R. P. Ashley, D. R. Boris, B...
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PMID: 19905231
PDF is available here.
PDF is available here.