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Sample records for chromosome 1h 2h

  1. Hydrophobization of epoxy nanocomposite surface with 1H,1H,2H,2H-perfluorooctyltrichlorosilane for superhydrophobic properties

    Science.gov (United States)

    Psarski, Maciej; Marczak, Jacek; Celichowski, Grzegorz; Sobieraj, Grzegorz; Gumowski, Konrad; Zhou, Feng; Liu, Weimin

    2012-10-01

    Nature inspires the design of synthetic materials with superhydrophobic properties, which can be used for applications ranging from self-cleaning surfaces to microfluidic devices. Their water repellent properties are due to hierarchical (micrometer- and nanometre-scale) surface morphological structures, either made of hydrophobic substances or hydrophobized by appropriate surface treatment. In this work, the efficiency of two surface treatment procedures, with a hydrophobic fluoropolymer, synthesized and deposited from 1H,1H,2H,2H-perfluorooctyltrichlorosilane (PFOTS) is investigated. The procedures involved reactions from the gas and liquid phases of the PFOTS/hexane solutions. The hierarchical structure is created in an epoxy nanocomposite surface, by filling the resin with alumina nanoparticles and micron-sized glass beads and subsequent sandblasting with corundum microparticles. The chemical structure of the deposited fluoropolymer was examined using XPS spectroscopy. The topography of the modified surfaces was characterized using scanning electron microscopy (SEM), and atomic force microscopy (AFM). The hydrophobic properties of the modified surfaces were investigated by water contact and sliding angles measurements. The surfaces exhibited water contact angles of above 150° for both modification procedures, however only the gas phase modification provided the non-sticking behaviour of water droplets (sliding angle of 3°). The discrepancy is attributed to extra surface roughness provided by the latter procedure.

  2. Nuclear reaction analysis of 1H and 2H in hafnium silicate films on Si

    International Nuclear Information System (INIS)

    The 1H(15N,αγ)12C and 2H(3He,p)4He nuclear reactions were employed to detect, respectively, 1H and 2H in hafnium silicates films on Si. The methods employed to achieve quantitative analyses are described. Moreover, by performing annealing sequences in vacuum or O2 followed by 1H2 or 2H2, it was observed that the O2-preanneled films incorporate less H, either 1H or 2H. This was explained by O-deficient, H-trapping sites that are eliminated by the O2 preannealing

  3. Determination of the delta(2H/1H)of Water: RSIL Lab Code 1574

    Science.gov (United States)

    Revesz, Kinga; Coplen, Tyler B.

    2008-01-01

    Reston Stable Isotope Laboratory (RSIL) lab code 1574 describes a method used to determine the relative hydrogen isotope-ratio delta(2H,1H), abbreviated hereafter as d2H of water. The d2H measurement of water also is a component of the National Water Quality Laboratory (NWQL) schedules 1142 and 1172. The water is collected unfiltered in a 60-mL glass bottle and capped with a Polyseal cap. In the laboratory, the water sample is equilibrated with gaseous hydrogen using a platinum catalyst (Horita, 1988; Horita and others, 1989; Coplen and others, 1991). The reaction for the exchange of one hydrogen atom is shown in equation 1.

  4. NMR resonance splitting of urea in stretched hydrogels: proton exchange and (1)H/(2)H isotopologues.

    Science.gov (United States)

    Kuchel, Philip W; Naumann, Christoph; Chapman, Bogdan E; Shishmarev, Dmitry; Håkansson, Pär; Bacskay, George; Hush, Noel S

    2014-10-01

    Urea at ∼12 M in concentrated gelatin gel, that was stretched, gave (1)H and (2)H NMR spectral splitting patterns that varied in a predictable way with changes in the relative proportions of (1)H2O and (2)H2O in the medium. This required consideration of the combinatorics of the two amide groups in urea that have a total of four protonation/deuteration sites giving rise to 16 different isotopologues, if all the atoms were separately identifiable. The rate constant that characterized the exchange of the protons with water was estimated by back-transformation analysis of 2D-EXSY spectra. There was no (1)H NMR spectral evidence that the chiral gelatin medium had caused in-equivalence in the protons bonded to each amide nitrogen atom. The spectral splitting patterns in (1)H and (2)H NMR spectra were accounted for by intra-molecular scalar and dipolar interactions, and quadrupolar interactions with the electric field gradients of the gelatin matrix, respectively. PMID:25241007

  5. 1H and 2H NMR study in paramagnetic solutions of Eu3+ nitrate

    International Nuclear Information System (INIS)

    The dependence of the spin-lattice rate(1/T1) of 1H and 2H nuclei for the 2.1 T magnetic field of the concentration (from 0.1 to 2.75 mol) of Eu3+ paramagnetic ions in the range from 263 K to 373 K is presented . Also the NMRD profield for the frecuency range from 0.1 to 500 Mhz is showed

  6. Total photoabsorption cross sections for 1H, 2H and 3He from 200 to 800 MeV

    International Nuclear Information System (INIS)

    The total photoabsorption cross sections for 1H, 2H and 3He have been measured for incident photon energies ranging from 200 to 800 MeV. The results show clearly the changes in the nucleon resonances in going from 1H to 3He. In particular, for the D13 region the behaviour for 3He is intermediate between that for 1H, 2H and heavier nuclei. (author)

  7. Dissection and cytological mapping of barley chromosome 2H in the genetic background of common wheat

    OpenAIRE

    Joshi, Giri Prasad; Nasuda, Shuhei; Endo, Takashi R.

    2011-01-01

    We used gametocidal (Gc) chromosomes 2C and 3C[SAT] to dissect barley 2H added to common wheat. The Gc chromosome induces chromosomal breakage resulting in chromosomal aberrations in the progeny of the 2H addition line of common wheat carrying the monosomic Gc chromosome. We conducted in situ hybridization to select plants carrying structurally rearranged aberrant 2H chromosomes and characterized them by sequential C-banding and in situ hybridization. We established 66 dissection lines of com...

  8. 2H and 13C tracer studies of ethanol metabolism by Fourier transform 13C[2H, 1H] NMR difference spectroscopy

    International Nuclear Information System (INIS)

    A novel form of NMR difference spectroscopy has been developed to monitor low levels of deuterium incorporation in steroids resulting from ethanol metabolism. Ethanol specifically labeled with 13C and/or 2H was administered to bile fistula rats, and bile acids were collected, derivatized and separated. Subtracting 13C [1H] spectra from 13C[2H,1H] spectra of such samples, where the brackets imply complete noise decoupling of the indicated nuclei, results in difference spectra. These spectra display 13C resonances only from 13C spins which are J-coupled to 2H spins. Particular sites and extents of 2H incorporation along the steroid skeletons could thus be evaluated and compared with GC-MS analysis. A practical lower limit of approximately 20 nanomoles of 13C--2H couples could be observed using this technique, through use of sample microcells, quadrature detection and long-term signal averaging

  9. 1H, 1H, 2H, 2H-Perfluoroalkyl-Functionalization of Ni(II), Pd(II) and Pt(II) Mono- and Diphosphine Complexes : minimizing the Electronic Consequences for the Metal Center

    NARCIS (Netherlands)

    Koten, G. van; Wolf, E. de; Mens, A.J.M.; Gijzeman, O.L.J.; Lenthe, J.H. van; Jenneskens, L.W.; Deelman, B.J.

    2003-01-01

    A series of fluorous derivatives of group 10 complexes MCl2(dppe) and [M(dppe)2](BF4)2 (M = Ni, Pd or Pt; dppe = 1,2-bis(diphenylphosphino)ethane) and cis-PtCl2(PPh3)2 was synthesized. The influence of para-(1H,1H,2H,2H-perfluoroalkyl)dimethylsilyl-functionalization of the phosphine phenyl groups of

  10. Rapid solid-state NMR of deuterated proteins by interleaved cross-polarization from 1H and 2H nuclei

    Science.gov (United States)

    Bjerring, Morten; Paaske, Berit; Oschkinat, Hartmut; Akbey, Ümit; Nielsen, Niels Chr.

    2012-01-01

    We present a novel sampling strategy, interleaving acquisition of multiple NMR spectra by exploiting initial polarization subsequently from 1H and 2H spins, taking advantage of their different T1 relaxation times. Different 1H- and 2H-polarization based spectra are in this way simultaneously recorded improving either information content or sensitivity by adding spectra. The so-called Relaxation-optimized Acquisition of Proton Interleaved with Deuterium (RAPID) 1H → 13C/ 2H → 13C CP/MAS multiple-acquisition method is demonstrated by 1D and 2D experiments using a uniformly 2H, 15N, 13C-labeled α-spectrin SH3 domain sample with all or 30% back-exchanged labile 2H to 1H. It is demonstrated how 1D 13C CP/MAS or 2D 13C- 13C correlation spectra initialized with polarization from either 1H or 2H may be recorded simultaneously with flexibility to be added or used individually for spectral editing. It is also shown how 2D 13C- 13C correlation spectra may be recorded interleaved with 2H- 13C correlation spectra to obtain 13C- 13C correlations along with information about dynamics from 2H sideband patterns.

  11. Hydrochemistry and 18O/16O and 2H/1H Ratios of Ugandan Waters

    Science.gov (United States)

    Gebremichael, M. G.; Jasechko, S.

    2013-12-01

    Today, 70% of the 35 million people living in Uganda have access to an improved water source, ranking Uganda 148 out of 179 nations reporting in 2010 (Millennium Development Goals Indicators). 80% of Ugandans rely on groundwater as their primary drinking water source, collecting at springs or from shallow wells. Similarly, 80% of Ugandans rely upon agriculture - usually rain fed - as their primary income source. Despite lack of access to protected water sources faced by 10 million Ugandans, and the importance of the blue economy to Uganda's continued development, a country-wide investigation of the chemistry and the stable oxygen and hydrogen isotope compositions of waters has yet to be completed. Here we present 250 analyses of 18O/16O, 2H/1H and dissolved ion concentrations of Ugandan lakes, rivers, groundwaters and springs collected during July, 2013. We use the new data to characterize regional scale groundwater recharge sources, advection pathways and interactions with surface waters. Large lakes - Albert, Edward and Victoria - show increases in 18O/16O and 2H/1H ratios consistent with open water evaporation, and are shown to be distinct from nearby groundwaters, suggesting minimal recharge from large lakes to the subsurface. Salinities of eastern Ugandan groundwaters are elevated relative to samples collected from the central and western regions, suggesting that longer groundwater residence times and enhanced water-rock interactions characterize these waters. Springs from western Uganda show a shift in 18O/16O to higher values as a result of hydrothermal water-rock exchanges. Dissolved ion and noble gas concentrations show potential for use in assessing geothermal energy resources, perhaps aiding the Ugandan Ministry for Energy, Minerals and Development to meet their goal of increasing renewable energy from 4% (current) to 61% of total use by 2017 (Nyakabwa-Atwoki, 2013). Millennium Development Goals Indicators. mdgs.un.org/unsd/mdg/data.aspx Nyakabwa

  12. The evaluation of 2H(n,2n)1H reaction cross section

    International Nuclear Information System (INIS)

    2H(n,2n)p reaction cross section is useful to nuclear power development. All the experimental data of 2H(n,2n)p reaction until 1990 were collected. The original data and errors of all the experiments were analysed and fitted on computer MICRO-VAX-II with orthogonal polynomial. The recommended 2H(n,2n) cross section are presented

  13. Controls on compound specific 2H/1H of leaf waxes along a North American monsoonal transect

    Science.gov (United States)

    Berke, M. A.; Tipple, B. J.; Hambach, B.; Ehleringer, J. R.

    2013-12-01

    The use of hydrogen isotope ratios of sedimentary n-alkanes from leaf waxes has become an important method for the reconstruction of paleohydrologic conditions. Ideally, the relationship between lipid 2H/1H values and source water is one-to-one. But the extent to which the 2H/1H values are altered between initial source water and lipid 2H/1H values varies by plant type and environment. Additionally, these variables may be confounded by use of varied source waters by plants in the same ecosystem. Here, we use a transect study across the arid southwestern landscape of the United States, which is heavily influenced by the North American Monsoon, to study the variability in 2H/1H values of leaf waxes in co-occurring plants from Tucson, Arizona to Salt Lake City, Utah. Perennials, including rabbit brush (Chrysothamnus nauseosus), sagebrush (Artemisia tridentata), and gambel oak (Quercus gambelii) and an annual plant, sunflower (Helianthus annuus), were chosen for their wide geographic distribution along the entire transect. Our results indicate that n-alkane distribution for each plant was similar and generally showed no relationship to environmental variables (elevation, mean annual precipitation, latitude, and temperature). However, we find evidence of n-alkane 2H/1H value relating to transect latitude, a relationship that is weaker for all samples combined than the strong individual correlation for each plant species. Further, these 2H/1H values suggest that not all plants in the monsoon region utilize monsoon-delivered precipitation. These results imply an adaptation to discontinuous spatial coverage and amount of monsoonal precipitation and suggest care must be taken when assuming consistent source water for different plants, particularly in regions with highly seasonal precipitation delivery.

  14. A NOTE ON THE CONSTRUCTION OF SYMPLECTIC SCHEMES FOR SPLITABLE HAMILTONIAN H = H(1) + H(2) + H(3)

    Institute of Scientific and Technical Information of China (English)

    Yifa Tang

    2002-01-01

    In this note, we will give a proof for the uniqueness of 4th-order time-reversible sym-plectic difference schemes of 13th-fold compositions of phase flows φtH(1), t tφH(2), φH(3) withdifferent temporal parameters for splitable hamiltonian H - H(1) + H(2) + H(3).

  15. Generalised Permutation Branes on a product of cosets $G_{k_1}/H\\times G_{k_2}/H$

    OpenAIRE

    Sarkissian, Gor

    2006-01-01

    We study the modifications of the generalized permutation branes defined in hep-th/0509153, which are required to give rise to the non-factorizable branes on a product of cosets $G_{k_1}/H\\times G_{k_2}/H$. We find that for $k_1\

  16. 5-[4-(1H-Imidazol-1-ylphenyl]-2H-tetrazole dihydrate

    Directory of Open Access Journals (Sweden)

    Yan-Hua Zhang

    2011-06-01

    Full Text Available In the title compound, C10H8N6·2H2O, the central aromatic ring makes dihedral angles of 23.59 (15 and 16.99 (16° with the terminal imidazole and tetrazole rings, respectively, which are themselves almost coplanar [dihedral angle = 6.61 (18°]. Two H atoms of the two water molecules are half occupied. In the crystal packing, weak intermolecular O—H...N, O—H...O and N—H...N hydrogen bonds and π–π stacking interactions [centroid–centroid distances of 3.73 (4 Å between benzene rings and 3.66 (3 Å between imidazole and tetrazole rings] are observed.

  17. 1H MAS, 13C CP/MAS, and 2H NMR spectra studies of piperidinium p-chlorobenzoate

    International Nuclear Information System (INIS)

    Anomalous H/D isotope effects were detected in the 1H MAS NMR spectra of piperidinium p-chlorobenzoate (C5H10NH 2+⋅ ClC6H4COO − ) upon deuterium substitution of hydrogen atoms which form two kinds of N-H⋯O H-bonds in the crystal; in contrast to these spectra, only slight chemical shifts were recorded in 13C CP/MAS NMR spectra. 2H NMR spectrum of the deuterated sample show quadrupole coupling constants of 148 and 108 kHz, and reveal that there are a few motions contributing to the electric-field modulation of the 2H nucleus. The 1H MAS NMR spectra of piperidinium p-chlrobenzoate-d16 (C5D10ND 2+⋅ ClC6D4COO − ) and -d14 (C5D10NH 2+⋅ ClC6D4COO − ) revealed that the change in the envelope is caused by chemical shifts of each signal upon deuteration. Calculations based on the density-functional-theory showed that the N-H distance along the crystallographic a-axis mainly contributes to the anomalous isotope effects on 1H MAS NMR envelopes.

  18. Structural, vibrational and DFT studies on 2-chloro-1H-isoindole-1,3(2H)-dione and 2-methyl-1H-isoindole-1,3(2H)-dione

    Science.gov (United States)

    Arjunan, V.; Saravanan, I.; Ravindran, P.; Mohan, S.

    2009-10-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of 2-chloro-1H-isoindole-1,3(2H)-dione and 2-methyl-1H-isoindole-1,3(2H)-dione have been measured in the range of 4000-400 and 4000-100 cm -1, respectively. Complete vibrational assignment and analysis of the fundamental modes of the compounds were performed using the observed FTIR and FT-Raman data. The geometry was optimised without any symmetry constraints using the DFT/B3LYP method with 6-31G(d,p) and 6-311++G(d,p) basis sets. The vibrational frequencies determined experimentally are compared with those obtained theoretically from DFT gradient calculations employing the B3LYP/6-31G(d,p) and B3LYP/6-311++G(d,p) methods for the optimised geometry of the compounds. The structural parameters and normal modes of vibration obtained from DFT method are in good agreement with the experimental data. The force fields obtained from DFT method were utilised and the potential energy distributions of all the fundamental vibrations of the compounds were calculated.

  19. Responsive Copolymer Brushes of Poly[(2-(Methacryloyloxy)Ethyl) Trimethylammonium Chloride] (PMETAC) and Poly((1) H,(1) H,(2) H,(2) H-Perfluorodecyl acrylate) (PPFDA) to Modulate Surface Wetting Properties.

    Science.gov (United States)

    Politakos, Nikolaos; Azinas, Stavros; Moya, Sergio Enrique

    2016-04-01

    Polymer brushes have a large potential for controlling properties such as surface lubrication or wetting through facile functionalization. Polymer chemistry, chain density, and length impact on the wetting properties of brushes. This study explores the use of diblock copolymer brushes with different block length and spatial arrangement of the blocks to tune surface wettability. Block copolymer brushes of the polyelectrolyte [2-(methacryloyloxy)ethyl] trimethylammonium chloride (PMETAC) with a contact angle of 17° and a hydrophobic block of (1) H, (1) H, (2) H, (2) H-perfluorodecyl Acrylate (PPFDA) with a contact angle of 130° are synthesized by RAFT polymerization. By changing the sequence of polymerization either block is synthesized as top or bottom block. By varying the concentration of initiator the length of the blocks is varied. Contact angle values with intermediate values between 17° and 130° are measured. In addition, by changing solvent pH and in presence of a different salt the contact angle of the copolymer brushes can be fine tuned. Brushes are characterized by atomic force microscopy, Raman confocal microscopy, and X-ray photoelectron spectroscopy. PMID:26872001

  20. Energetic derivatives of 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole.

    Science.gov (United States)

    Izsák, Dániel; Klapötke, Thomas M; Pflüger, Carolin

    2015-10-21

    This study presents the preparation of the novel nitrogen-rich compound 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole (5) from commercially available chemicals in a five step synthesis. The more energetic derivatives with azido (6) and nitro (7) groups, as well as a diazene bridge (8) were also successfully prepared. The energetic compounds were comprehensively characterized by various means, including vibrational (IR, Raman) and multinuclear ((1)H, (13)C, (14)N, (15)N) NMR spectroscopy, mass spectrometry and differential thermal analysis. The sensitivities towards important outer stimuli (impact, friction, electrostatic discharge) were determined according to BAM standards. The enthalpies of formation were calculated on the CBS-4M level of theory, revealing highly endothermic values, and were utilized to calculate the detonation parameters using EPXLO5 (6.02). PMID:26361356

  1. Solvent 1H/2H isotopic effects in the reaction of the L-Tyrosine oxidation catalyzed by Tyrosinase

    International Nuclear Information System (INIS)

    Tyrosinase is well known catalyst in the oxidation of L-Tyrosine to L-DOPA and following oxidation of L-DOPA to dopachinone. The aim of communication is to present the results of studies on the solvent isotopic effects (SIE) in the above reactions for the 1H/2H in the 3',5' and 2',6' substituted tyrosine. Obtained dependence of the reaction rate on the substrate concentration were applied for optimization of the kinetic parameters, kcat and kcat/Km, in the Michaelis-Menten equation. As a result - better understanding of the L-DOPA creation can be achieved

  2. Equilibrium 2H/ 1H fractionations in organic molecules. II: Linear alkanes, alkenes, ketones, carboxylic acids, esters, alcohols and ethers

    Science.gov (United States)

    Wang, Ying; Sessions, Alex L.; Nielsen, Robert J.; Goddard, William A., III

    2009-12-01

    Equilibrium 2H/ 1H fractionation factors (α eq) for various H positions in alkanes, alkenes, ketones, carboxylic acids, esters, alcohols, and ethers were calculated between 0 and 100 °C using vibrational frequencies from ab initio QM calculations (B3LYP/6-311G**). Results were then corrected using a temperature-dependent linear calibration curve based on experimental data for H α in ketones ( Wang et al., 2009). The total uncertainty in reported α eq values is estimated at 10-20‰. The effects of functional groups were found to increase the value of α eq for H next to electron-donating groups, e.g. sbnd OR, sbnd OH or sbnd O(C dbnd O)R, and to decrease the value of α eq for H next to electron-withdrawing groups, e.g. sbnd (C dbnd O)R or sbnd (C dbnd O)OR. Smaller but significant functional group effects are also observed for H β and sometimes H γ. By summing over individual H positions, we estimate the equilibrium fractionation relative to water to be -90‰ to -70‰ for n-alkanes and around -100‰ for pristane and phytane. The temperature dependence of these fractionations is very weak between 0 and 100 °C. Our estimates of α eq agree well with field data for thermally mature hydrocarbons (δ 2H values between -80‰ and -110‰ relative to water). Therefore the observed δ 2H increase of individual hydrocarbons and the disappearance of the biosynthetic δ 2H offset between n-alkyl and linear isoprenoid lipids during maturation of organic matter can be confidently attributed to H exchange towards an equilibrium state. Our results also indicate that many n-alkyl lipids are biosynthesized with δ 2H values that are close to equilibrium with water. In these cases, constant down-core δ 2H values for n-alkyl lipids cannot be reliably used to infer a lack of isotopic exchange.

  3. Effect of salinity on 2H/1H fractionation in lipids from continuous cultures of the coccolithophorid Emiliania huxleyi

    Science.gov (United States)

    Sachs, Julian P.; Maloney, Ashley E.; Gregersen, Josh; Paschall, Christopher

    2016-09-01

    Salinity and temperature dictate the buoyancy of seawater, and by extension, ocean circulation and heat transport. Yet there remain few widely applicable proxies for salinity with the precision necessary to infer all but the largest hydrographic variations in the past. In the last decade the hydrogen isotope composition (2H/1H or δ2H) of microalgal lipids has been shown to increase systematically with salinity, providing a foundation for its use as a paleosalinity proxy. Culture and field studies have indicated a wide range of sensitivities for this response, ranging from about 0.6-3.3‰ ppt-1 depending on the lipid, location and/or culturing conditions. Lacking in these studies has been the controlled conditions necessary to isolate the response to salinity while keeping all other growth parameters constant. Here we show that the hydrogen isotope composition of lipids in the marine coccolithophorid Emiliania huxleyi grown in chemostats increased by 1.6 ± 0.3‰ ppt-1 (p fractionation factors on salinity yielded slopes of 1.2-2.2‰ ppt-1. This sensitivity of δ2Halkenone to salinity is 45-71% of that previously reported for E. huxleyi, which can be attributed to the fact that previous experiments were performed with batch cultures in which growth rates and other parameters differed between salinity treatments. The underlying cause of this response to salinity remains unknown, but may result from changes in (1) the proportion of lipid hydrogen derived from NADPH versus water, (2) the proportion of lipid hydrogen derived from NADPH from Photosystem I versus the oxidative pentose phosphate pathway (and other metabolic sources), or (3) the δ2H value of intracellular water.

  4. Effect of salinity on 2H/1H fractionation in lipids from continuous cultures of the coccolithophorid Emiliania huxleyi

    Science.gov (United States)

    Sachs, Julian P.; Maloney, Ashley E.; Gregersen, Josh; Paschall, Christopher

    2016-09-01

    Salinity and temperature dictate the buoyancy of seawater, and by extension, ocean circulation and heat transport. Yet there remain few widely applicable proxies for salinity with the precision necessary to infer all but the largest hydrographic variations in the past. In the last decade the hydrogen isotope composition (2H/1H or δ2H) of microalgal lipids has been shown to increase systematically with salinity, providing a foundation for its use as a paleosalinity proxy. Culture and field studies have indicated a wide range of sensitivities for this response, ranging from about 0.6-3.3‰ ppt-1 depending on the lipid, location and/or culturing conditions. Lacking in these studies has been the controlled conditions necessary to isolate the response to salinity while keeping all other growth parameters constant. Here we show that the hydrogen isotope composition of lipids in the marine coccolithophorid Emiliania huxleyi grown in chemostats increased by 1.6 ± 0.3‰ ppt-1 (p < 0.05) in eight individual alkenones and by 2.0 ± 0.1‰ ppt-1 (p < 0.05) in three individual fatty acids over the salinity range 20-42 ppt. Hydrogen isotope ratios of phytol and the sterol 24-methyl-cholest-5,22-dien-3β-ol (brassicasterol) also increased with salinity but correlations were weaker than for the acetogenic lipids. For eight individual alkenones, linear regression analyses of the fractionation factors on salinity yielded slopes of 1.2-2.2‰ ppt-1. This sensitivity of δ2Halkenone to salinity is 45-71% of that previously reported for E. huxleyi, which can be attributed to the fact that previous experiments were performed with batch cultures in which growth rates and other parameters differed between salinity treatments. The underlying cause of this response to salinity remains unknown, but may result from changes in (1) the proportion of lipid hydrogen derived from NADPH versus water, (2) the proportion of lipid hydrogen derived from NADPH from Photosystem I versus the oxidative

  5. A first principle Comparative study of electronic and optical properties of 1H –MoS2 and 2H –MoS2

    International Nuclear Information System (INIS)

    First principle calculations of electronic and optical properties of monolayer MoS2, so called 1H –MoS2, is performed which has emerged as a new direct band gap semiconductor. Before calculations of the properties of 1H –MoS2, we have calculated structural parameters, electronic properties (electronic band structure and electronic density of states) and frequency dependent optical response (real and imaginary part of dielectric function, energy loss function, absorption and reflectance spectra) of 2H –MoS2 and compared with existing experimental results and found that our calculated results are in very good agreements with experimental results. To compare the dielectric functions of bulk (2H –MoS2) and monolayer (1H –MoS2) phases we have further extended these calculations to the single layer MoS2 (1H –MoS2) which is analogous to graphene. Structural parameters of 1H –MoS2 are found very close to its bulk 2H –MoS2. We find direct electronic band gap at ‘K’ high symmetry point as compared to indirect band gap in its bulk 2H – MoS2. Our calculated dielectric function for 1H – MoS2 shows structure at nearly same energy positions as compared to 2H – MoS2 with additional structure at 3.8 eV. Also additional well defined energy loss peaks revealing the plasmonic resonances at 15.7 eV and 16.0 eV for E vector perpendicular and parallel to c axis respectively for 1H – MoS2 have been found, which are the signatures of surface plasmons at these energies. -- Highlights: ► Structural parameters of 2H-MoS2 and 1H-MoS2 are nearly identical. ► States around the Fermi energy are mainly due to the metal d states. ► Strong hybridization between Mo-d and S-p states below the Fermi energy has been found. ► Optical spectra of 2H-MoS2 finds very good agreements with experimental optical spectra. ► The band gap is found to be direct for 1H-MoS2 as compared to indirect for 2H-MoS2.

  6. Internal dynamics of (C 3N 2H 5) 5Bi 2Cl 11 studied by IINS, 1H NMR and QC methods

    Science.gov (United States)

    Hołderna-Natkaniec, K.; Natkaniec, I.; Jakubas, R.; Nowak, D.; Medycki, W.

    2008-11-01

    The low temperature inelastic incoherent neutron scattering spectra of pentakis (imidazolium) undecachlorodibismuthate (III) [(C 3N 2H 5) 5Bi 2Cl 11] were discussed versus different models of reference structures obtained by quantum chemical calculations in the energy transfer range up to 1200 cm -1. The second moment of 1H NMR line and spin-lattice relaxation times were employed to study the internal dynamics of imidazolium cation at the ferroelectric-paraelectric phase transition.

  7. 1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H-one–4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] (1/1

    Directory of Open Access Journals (Sweden)

    Krzysztof Lyczko

    2013-01-01

    Full Text Available The asymmetric unit of the title compound, C11H12N2O·C25H28N4O2, contains two different molecules. The smaller is known as antipyrine [systematic name: 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] and the larger is built up from two antypirine molecules which are connected through a C atom of the pyrazolone ring to a central propanyl part [systematic name: 4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one]. Intramolecular C—H...O hydrogen bonds occur in the latter molecule. In the crystal, C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001.

  8. Dynamics and ferroelectric phase transition of (C3N2H5)5Bi2Br11 by means of ac calorimetry and 1H NMR relaxometry

    Science.gov (United States)

    Przesławski, J.; Medycki, W.; Piecha, A.; Jakubas, R.; Kruk, D.

    2013-01-01

    A quite uncommon type of heat anomaly has been disclosed by calorimetric experiments in ferroelectric crystal (C3N2H5)5Bi2Br11 close to the paraelectric-ferroelectric transition. Thermal parameters (such as the excess enthalpy (ΔH) and the excess entropy (ΔS)) of the continuous ferroelectric phase transition at ca. 155 K have been estimated and discussed. The entropy transition accompanying the ferroelectric phase transition (PT) of the order of 35 J/mol K confirms an 'order-disorder' mechanism. The ferroelectric-paraelectric PT has been described by the Landau model using the specific heat data.1H spin-lattice relaxation at 25 MHz has been measured for this crystal in a very broad temperature range 90-420 K, covering two phase transitions (at 155 and 355 K). The relaxation data have been interpreted in terms of different dynamical properties of imidazolium cations put in structurally different environments.

  9. Dissection of barley chromosomes 1H and 6H by the gametocidal system

    Czech Academy of Sciences Publication Activity Database

    Ishihara, A.; Mizuno, N.; Islam, R.A.K.M.; Doležel, Jaroslav; Endo, Takashi R.; Nasuda, S.

    2014-01-01

    Roč. 89, č. 5 (2014), s. 203-214. ISSN 1341-7568 Institutional support: RVO:61389030 Keywords : barley * chromosome dissection * chromosome mapping Subject RIV: EI - Biotechnology ; Bionics Impact factor: 0.930, year: 2014 http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=MEDLINE&DestLinkType=FullRecord&UT=25832747

  10. Radical Rearrangement Catalysis in an Enzyme at 190-207 K: Mechanistic Features Revealed by Substrate ^1H/^2H Isotope Effects

    Science.gov (United States)

    Zhu, Chen; Warncke, Kurt

    2009-11-01

    The decay kinetics of both the natural abundance and [1,1,2,2-^2H4]-aminoethanol generated Co^II-substrate radical pair catalytic intermediate in ethanolamine ammonia-lyase (EAL) from Salmonella typhimrium have been measured by using time-resolved, full-spectrum X-band continuous-wave electron paramagnetic resonance (EPR) spectroscopy in frozen aqueous solution from 190 to 207 K. The decay reaction proceeds through sequential radical covalent rearrangement and hydrogen atom transfer (HT) steps. In the temperature range from 190 to 207 K, the decay is biexponential, and the two phases correspond to distinct populations [1]. The ^1H/^2H isotope effects (IE) on the fast phase and slow phase are 1.3 and 0.8, respectively. These IE are not caused by a primary kinetic IE. Therefore, HT is rapid, relative to rearrangement. We propose that the fast phase is rate-determined by the rearrangement step, and that the slow phase is rate-determined by a step after rearrangement that is associated with protein guidance of the reactions. The results reveal microscopic features of the core reaction chemistry and protein dynamics participation in the reaction, which are not accessible at ambient temperatures.[4pt] [1] Zhu, C., Warncke, K. Biophys. J. 95, 5890 (2008). Supported by grant DK54514 from NIDDK/NIH.

  11. Dynamics and ferroelectric phase transition of (C3N2H5)5Bi2Br11 by means of ac calorimetry and 1H NMR relaxometry

    International Nuclear Information System (INIS)

    Highlights: ► The excess entropy clearly confirms an ‘order–disorder’ mechanism assigned to the dynamics of the imidazolium cations. ► 1H NMR conformed dynamical heterogeneity of the imidazolium cations in low temperature phases. ► The paraelectric-ferroelectric transition at 155 K is close to the tricritical one. -- Abstract: A quite uncommon type of heat anomaly has been disclosed by calorimetric experiments in ferroelectric crystal (C3N2H5)5Bi2Br11 close to the paraelectric-ferroelectric transition. Thermal parameters (such as the excess enthalpy (ΔH) and the excess entropy (ΔS)) of the continuous ferroelectric phase transition at ca. 155 K have been estimated and discussed. The entropy transition accompanying the ferroelectric phase transition (PT) of the order of 35 J/mol K confirms an ‘order–disorder’ mechanism. The ferroelectric–paraelectric PT has been described by the Landau model using the specific heat data.1H spin–lattice relaxation at 25 MHz has been measured for this crystal in a very broad temperature range 90–420 K, covering two phase transitions (at 155 and 355 K). The relaxation data have been interpreted in terms of different dynamical properties of imidazolium cations put in structurally different environments.

  12. Tracing bacterial metabolism using multi-nuclear (1H, 2H, and 13C) Solid State NMR: Realizing an Idea Initiated by James Scott

    Science.gov (United States)

    Cody, G.; Fogel, M. L.; Jin, K.; Griffen, P.; Steele, A.; Wang, Y.

    2011-12-01

    Approximately 6 years ago, while at the Geophysical Laboratory, James Scott became interested in the application of Solid State Nuclear Magnetic Resonance Spectroscopy to study bacterial metabolism. As often happens, other experiments intervened and the NMR experiments were not pursued. We have revisited Jame's question and find that using a multi-nuclear approach (1H, 2H, and 13C Solid State NMR) on laboratory cell culture has some distinct advantages. Our experiments involved batch cultures of E. coli (MG1655) harvested at stationary phase. In all experiments the growth medium consisted of MOPS medium for enterobacteria, where the substrate is glucose. In one set of experiments, 10 % of the water was D2O; in another 10 % of the glucose was per-deuterated. The control experiment used both water and glucose at natural isotopic abundance. A kill control of dead E. coli immersed in pure D2O for an extended period exhibited no deuterium incorporation. In both deuterium enriched experiments, considerable incorporation of deuterium into E. coli's biomolecular constituents was detected via 2H Solid State NMR. In the case of the D2O enriched experiment, 58 % of the incorporated deuterium is observed in a sharp peak at a frequency of 0.31 ppm, consistent with D incorporation in the cell membrane lipids, the remainder is observed in a broad peak at a higher frequency (centered at 5.4 ppm, but spanning out to beyond 10 ppm) that is consistent with D incorporation into predominantly DNA and RNA. In the case of the D-glucose experiments, 61 % of the deuterium is observed in a sharp resonance peak at 0.34 ppm, also consistent with D incorporation into membrane lipids, the remainder of the D is observed at a broad resonance peak centered at 4.3 ppm, consistent with D enrichment in glycogen. Deuterium abundance in the E. coli cells grown in 10 % D2O is nearly 2X greater than that grown with 10 % D-glucose. Very subtle differences are observed in both the 1H and 13C solid

  13. Hydrogen isotope systematics in C3 and C4 saltmarsh plants: the importance of biochemical processes in controlling interspecies variation in n-alkane 2H/1H composition

    Science.gov (United States)

    Eley, Y.; Pedentchouk, N.

    2013-12-01

    Palaeohydrological studies have increasingly utilised the 2H/1H composition of leaf wax n-alkyl lipids to extract information from the geological record. Interpretation of the sedimentary biomarker δ2H signal, however, requires detailed understanding of the mechanisms controlling hydrogen isotope fractionation between source water and n-alkyl lipids (ɛl/w). The existence of large ranges in published n-alkyl δ2H and ɛl/w among modern plant species growing at a single location suggests that the lipid signal incorporated into the sedimentary record could be sensitive to relatively small-scale changes in vegetation assemblages. The mechanisms responsible for these interspecies differences are currently poorly constrained. Previous research has had limited success explaining n-alkyl δ2H by reference to physical processes controlling the movement of water inside/outside and within the leaf, while the relative importance of biochemical processes remains largely unexplored. This project aims to identify the mechanisms controlling interspecies variation in n-alkane 2H/1H among a range of C3 and C4 plants from a Norfolk saltmarsh in the UK. To distinguish between environmental, physical and biochemical controls, we conducted 2H/1H analysis of soil, xylem, and leaf waters and n-alkanes (i) across multiple sampling sites within the marsh, (ii) throughout the 2012 growth season, and (iii) at different times of the day. We also measured the 2H/1H of chloroplast phytol in 7 samples collected at the end of 2012. Leaf wax n-alkane δ2H varied among the sampled species by over 100‰ throughout the 2012 growth season. Environmental processes that could influence control source water 2H/1H did not fully account for this interspecies variation - soil water 2H/1H varied by only 35‰ with marsh sub-environment and exhibited site-specific seasonal shifts by no more than 31‰. Maximum interspecies variation in xylem water was 38‰, while leaf waters differed by only 29‰. We

  14. Method for determination of .sup.18 O/.sup.16 O and .sup.2 H/.sup.1 H ratios and .sup.3 H (tritium) concentrations of xylem waters and subsurface waters using time series sampling

    Science.gov (United States)

    Smith, Brian; Menchaca, Leticia

    1999-01-01

    A method for determination of .sup.18 O/.sup.16 O and .sup.2 H/.sup.1 H ratios and .sup.3 H concentrations of xylem and subsurface waters using time series sampling, insulating sampling chambers, and combined .sup.18 O/.sup.16 O, .sup.2 H/.sup.1 H and .sup.3 H concentration data on transpired water. The method involves collecting water samples transpired from living plants and correcting the measured isotopic compositions of oxygen (.sup.18 O/.sup.16 O) and hydrogen (.sup.2 H/.sup.1 H and/or .sup.3 H concentrations) to account for evaporative isotopic fractionation in the leafy material of the plant.

  15. Narcissus tazetta lectin shows strong inhibitory effects against respiratory syncytial virus, influenza A (H1N1, H3N2, H5N1) and B viruses

    Indian Academy of Sciences (India)

    Linda S M Ooi; Wing-Shan Ho; Karry L K Ngai; Li Tian; Paul K S Chan; Samuel S M Sun; Vincent E C Ooi

    2010-03-01

    Amannose-binding lectin (Narcissus tazetta lectin [NTL]) with potent antiviral activity was isolated and purified from the bulbs of the Chinese daffodil Narcissus tazetta var. chinensis, using ion exchange chromatography on diethylaminoethyl (DEAE)-cellulose, affinity chromatography on mannose–agarose and fast protein liquid chromatography (FPLC)-gel filtration on Superose 12. The purified lectin was shown to have an apparent molecular mass of 26 kDa by gel filtration and 13 kDa by SDS–PAGE, indicating that it is probably a dimer with two identical subunits. The cDNA-derived amino acid sequence of NTL as determined by molecular cloning also reveals that NTL protein contains a mature polypeptide consisting of 105 amino acids and a C-terminal peptide extension. Three-dimensional modelling study demonstrated that the NTL primary polypeptide contains three subdomains, each with a conserved mannose-binding site. It shows a high homology of about 60%–80% similarity with the existing monocot mannose-binding lectins. NTL could significantly inhibit plaque formation by the human respiratory syncytial virus (RSV) with an IC50 of 2.30 g/ml and exhibit strong antiviral properties against influenza A (H1N1, H3N2, H5N1) and influenza B viruses with IC50 values ranging from 0.20 g/ml to 1.33 g/ml in a dose-dependent manner. It is worth noting that the modes of antiviral action of NTL against RSV and influenza A virus are significantly different. NTL is effective in the inhibition of RSV during the whole viral infection cycle, but the antiviral activity of NTL is mainly expressed at the early stage of the viral cycle of influenza A (H1N1) virus. NTL with a high selective index (SI=CC50/IC50 ≥ 141) resulting from its potent antiviral activity and low cytotoxicity demonstrates a potential for biotechnological development as an antiviral agent.

  16. Both water source and atmospheric water impact leaf wax n-alkane 2H/1H values of hydroponically grown angiosperm trees

    Science.gov (United States)

    Tipple, B. J.; Berke, M. A.; Hambach, B.; Roden, J. S.; Ehleringer, J. R.

    2013-12-01

    The extent to which both water source and leaf water 2H-enrichment affect the δ2H values of terrestrial plant leaf waxes is an area of active research as ecologists seek a mechanistic understanding of the environmental determinants of leaf wax isotope values before applying δ2H values of leaf waxes to reconstruct past hydrologic conditions. To elucidate the effects of both water source and atmospheric water vapor on δ2H values of leaf waxes for broad-leaved angiosperms, we analyzed hydrogen isotope ratios of high-molecular weight n-alkanes from two tree species that were grown throughout the spring and summer (five months) in a hydroponic system under controlled atmospheric conditions. Here, 12 subpopulations each of Populus fremontii and Betula occidentalis saplings were grown under one of six source different waters ranging in hydrogen isotope ratio values from -120 to +180 ‰ and under either 40 % or 75 % relative humidity conditions. We found n-alkane δ2H values of both species were linearly related to source water δ2H values with differences in slope associated with differing atmospheric humidity. A Craig-Gordon model was used to predict the δ2H values of leaf water and, by extension, n-alkane δ2H values under the range of growth conditions. The modeled leaf water values were found to be linearly related to observed n-alkane δ2H values with a statistically indistinguishable slope between the high and low humidity treatments. These leaf wax observations support a constant biosynthetic fractionation factor between evaporatively-enriched leaf water and n-alkanes for each species. However, we found the calculated biosynthetic fractionation between modeled leaf-water and n-alkane to be different between the two species. We submit that these dissimilarities were due to model inputs and not differences in the specific-species biochemistry. Nonetheless, these results are significant as they indicated that the δ2H value of atmospheric water vapor and

  17. Identification and correction of spectral contamination in 2H/1H and 18O/16O measured in leaf, stem, and soil water.

    Science.gov (United States)

    Schultz, Natalie M; Griffis, Timothy J; Lee, Xuhui; Baker, John M

    2011-11-15

    Plant water extracts typically contain organic materials that may cause spectral interference when using isotope ratio infrared spectroscopy (IRIS), resulting in errors in the measured isotope ratios. Manufacturers of IRIS instruments have developed post-processing software to identify the degree of contamination in water samples, and potentially correct the isotope ratios of water with known contaminants. Here, the correction method proposed by an IRIS manufacturer, Los Gatos Research, Inc., was employed and the results were compared with those obtained from isotope ratio mass spectrometry (IRMS). Deionized water was spiked with methanol and ethanol to create correction curves for δ(18)O and δ(2)H. The contamination effects of different sample types (leaf, stem, soil) and different species from agricultural fields, grasslands, and forests were compared. The average corrections in leaf samples ranged from 0.35 to 15.73‰ for δ(2)H and 0.28 to 9.27‰ for δ(18)O. The average corrections in stem samples ranged from 1.17 to 13.70‰ for δ(2)H and 0.47 to 7.97‰ for δ(18)O. There was no contamination observed in soil water. Cleaning plant samples with activated charcoal had minimal effects on the degree of spectral contamination, reducing the corrections, by on average, 0.44‰ for δ(2)H and 0.25‰ for δ(18)O. The correction method eliminated the discrepancies between IRMS and IRIS for δ(18)O, and greatly reduced the discrepancies for δ(2)H. The mean differences in isotope ratios between IRMS and the corrected IRIS method were 0.18‰ for δ(18)O, and -3.39‰ for δ(2)H. The inability to create an ethanol correction curve for δ(2)H probably caused the larger discrepancies. We conclude that ethanol and methanol are the primary compounds causing interference in IRIS analyzers, and that each individual analyzer will probably require customized correction curves. PMID:22006400

  18. Methodology to Extract Water from Soil and Plants for Stable Isotope Ratio (18O/16O and 2H/1H) Analyses by CRDS

    International Nuclear Information System (INIS)

    As part of the activities supporting the IAEA scientific water forum held from 20-21 September 2011, the SWMCN Subprogramme organized a 4 day display from 12-15 September to raise awareness of the importance of using nuclear methodologies to address water scarcity and saving water in agriculture. The SWMCN Laboratory in the FAO/IAEA laboratories at Seibersdorf exhibited a vacuum distillation technique, which has been developed to extract water from soil and plant for isotopic analysis by using cavity ring-down spectroscopy (CRDS). This technique greatly simplifies the previously employed low temperature freezing method. In the past, isotopic measurements of water in soil and plant material could only be achieved by a tedious and complicated process involving trapping by low temperature freezing and subsequent analysis by IRMS. During the exhibition, the SWMCN Laboratory demonstrated how water from soil (sand and clay) over a range of moisture levels from field capacity to permanent wilting point and plant samples could be easily extracted and analysed for 18O and 2H using CRDS. Accurate and reproducible results have been obtained for both sand and clay soils (with precision of the CRDS being 18O and 2H), giving >99% recovery of the soil and plant water. The use of CRDS and the improved water extraction technique greatly enhanced and simplified analytical capabilities to investigate water use efficiency, something that could only be dreamt about a few years ago.

  19. 1H and 13C NMR assignments for the glycans in glycoproteins by using 2H/13C-labeled glucose as a metabolic precursor

    International Nuclear Information System (INIS)

    In order to understand the role of the glycans in glycoproteins in solution, structural information obtained by NMR spectroscopy is obviously required. However, the assignment of the NMR signals from the glycans in larger glycoproteins is still difficult, mainly due to the lack of appropriate methods for the assignment of the resonances originating from the glycans. By using [U-13C6,2H7]glucose as a metabolic precursor, we have successfully prepared a glycoprotein whose glycan is uniformly labeled with 13C and partially with D at the sugar residues. The D to H exchange ratios at the C1-C6 positions of the sugar residues have been proven to provide useful information for the spectral assignments of the glycan in the glycoprotein. This is the first report on the residue-specific assignment of the anomeric resonances originating from a glycan attached to a glycoprotein by using the metabolic incorporation of hydrogen from the medium into a glycan labeled with [U-13C6,2H7]glucose

  20. Evaluation of the Sealed-tube Low-temperature Combustion Method for the 13C/12C and 2H/1H Ratio Determinations of Cellulose Nitrate

    Institute of Scientific and Technical Information of China (English)

    AUCOUR A.-M

    2001-01-01

    Traditionalluy+suggested combusion time of 1 h at 550℃ withthe sealed-tube combustion method for deternining the 13C/12C ratio of cellulose nitrate or other nitrogen-containing components could produce large negative deviation up to 1%o.Three types of cellulose are used to ascertain possible causes.The presence of nitrous oxide (N2O) formed during combus tion is most likely responsible for this deviation. Prolongation of the combustion time (at least 5 h at 550℃) and intimate coatact between copper oxide and organic matter can greatly improve the analysis precision and effectively reduce this devi ation to an acceptable level. Regardless of scattered carbon isotope data, hydrogen isotope data are all reproducible within 2‰ when this method is coupled with the high temperaure uranium reduction method. Thus, care should be taken for deternining carbon and nitrogen isotope com,positions of nitrogen-conaining substances using the low temperature sealedtube combustion method.

  1. Synthesis of 5,6-Dihydropyridin-2(1H-ones, 1,5,6,8,8a-Hexahydroisoquinolin-3(2H-ones and 4a,5,6,7,8,8a-Hexahydroquinolin-2(1H-ones by Intramolecular Wittig Reaction

    Directory of Open Access Journals (Sweden)

    Nikolai V. Poendaev

    2002-02-01

    Full Text Available A new, universal and diastereospecific method has been developed for the synthesis of 5,6-dihydropyridin-2(1H-ones, 1,5,6,8,8a-hexahydroisoquinolin-3(2H-ones and 4a,5,6,7,8,8ahexahydroquinolin-2(1H-ones (4 based on the intramolecular Wittig cyclization of the triphenyphosphonium salts 2 derived from the N-(3-oxoalkyl–chloroacetamides 1.

  2. Amine-free melanin-concentrating hormone receptor 1 antagonists: Novel non-basic 1-(2H-indazole-5-yl)pyridin-2(1H)-one derivatives and mitigation of mutagenicity in Ames test.

    Science.gov (United States)

    Igawa, Hideyuki; Takahashi, Masashi; Ikoma, Minoru; Kaku, Hiromi; Kakegawa, Keiko; Kina, Asato; Aida, Jumpei; Okuda, Shoki; Kawata, Yayoi; Noguchi, Toshihiro; Hotta, Natsu; Yamamoto, Syunsuke; Nakayama, Masaharu; Nagisa, Yasutaka; Kasai, Shizuo; Maekawa, Tsuyoshi

    2016-06-01

    To develop non-basic melanin-concentrating hormone receptor 1 (MCHR1) antagonists with a high probability of target selectivity and therapeutic window, we explored neutral bicyclic motifs that could replace the previously reported imidazo[1,2-a]pyridine or 1H-benzimidazole motif. The results indicated that the binding affinity of a chemically neutral 2H-indazole derivative 8a with MCHR1 (hMCHR1: IC50=35nM) was comparable to that of the imidazopyridine and benzimidazole derivatives (1 and 2, respectively) reported so far. However, 8a was positive in the Ames test using TA1537 in S9- condition. Based on a putative intercalation of 8a with DNA, we introduced a sterically-hindering cyclopropyl group on the indazole ring to decrease planarity, which led to the discovery of 1-(2-cyclopropyl-3-methyl-2H-indazol-5-yl)-4-{[5-(trifluoromethyl)thiophen-3-yl]methoxy}pyridin-2(1H)-one 8l without mutagenicity in TA1537. Compound 8l exerted significant antiobesity effects in diet-induced obese F344 rats and exhibited promising safety profile. PMID:27117261

  3. Interaction Study of an Amorphous Solid Dispersion of Cyclosporin A in Poly-Alpha-Cyclodextrin with Model Membranes by 1H-, 2H-, 31P-NMR and Electron Spin Resonance

    Directory of Open Access Journals (Sweden)

    Jean-Claude Debouzy

    2014-01-01

    Full Text Available The properties of an amorphous solid dispersion of cyclosporine A (ASD prepared with the copolymer alpha cyclodextrin (POLYA and cyclosporine A (CYSP were investigated by 1H-NMR in solution and its membrane interactions were studied by 1H-NMR in small unilamellar vesicles and by 31P 2H NMR in phospholipidic dispersions of DMPC (dimyristoylphosphatidylcholine in comparison with those of POLYA and CYSP alone. 1H-NMR chemical shift variations showed that CYSP really interacts with POLYA, with possible adduct formation, dispersion in the solid matrix of the POLYA, and also complex formation. A coarse approach to the latter mechanism was tested using the continuous variations method, indicating an apparent 1 : 1 stoichiometry. Calculations gave an apparent association constant of log Ka = 4.5. A study of the interactions with phospholipidic dispersions of DMPC showed that only limited interactions occurred at the polar head group level (31P. Conversely, by comparison with the expected chain rigidification induced by CYSP, POLYA induced an increase in the fluidity of the layer while ASD formation led to these effects almost being overcome at 298 K. At higher temperature, while the effect of CYSP seems to vanish, a resulting global increase in chain fluidity was found in the presence of ASD.

  4. Measurements of the neutron electric to magnetic form-factor ratio GEn/GMn via the 2H((rvec e), e(prime)(rvec n)) 1H reaction to Q2 = 1.45-(GeV/c)2

    International Nuclear Information System (INIS)

    We report values for the neutron electric to magnetic form factor ratio, GEn/GMn, deduced from measurements of the neutron's recoil polarization in the quasielastic 2H((rvec e), e(prime)(rvec n)) 1H reaction, at three Q2 values of 0.45, 1.13, and 1.45 (GeV/c)2. The data at Q2 = 1.13 and 1.45 (GeV/c)2 are the first direct experimental measurements of GEn employing polarization degrees of freedom in the Q2 > 1 (GeV/c)2 region and stand as the most precise determinations of GEn for all values of Q2

  5. Structural polymorphism in new organic-inorganic hybrid: Pyrazolium bromoantimonates(III) [C 3N 2H 5] 6Sb 4Br 18·2H 2O (tetragonal and triclinic forms). Thermal, dielectric and proton magnetic resonance ( 1H NMR) studies on the tetragonal form

    Science.gov (United States)

    Piecha, A.; Białońska, A.; Jakubas, R.; Medycki, W.

    2008-11-01

    Two polymorphic forms of pyrazolium bromoantimonates(III) - [C 3N 2H 5] 6Sb 4Br 18·2H 2O: α modification - tetragonal form and β modification - triclinic form, have been synthesized and structurally characterized at 100 K. The α-polymorph consists of a unique three-dimensional (3D) anionic substructure built up of cyclic tetramers and discrete chains linked to each other, three nonequivalent pyrazolium cations and water molecules. The β-polymorph is characterized by discrete cyclic anionic tetramers [Sb 4Br 18] -6, three nonequivalent cations and water molecules. The physical properties have been studied for the [C 3N 2H 5] 6Sb 4Br 18·2H 2O (α form). The differential scanning calorimetry (DSC) revealed a complex sequence of phase transitions above room temperature. The low-frequency dielectric relaxation process was found to appear at low temperatures, which was assigned to the dynamics of dipolar pyrazolium cations. The molecular motions of the pyrazolium cations in the α-polymorph were studied in a wide temperature range by means of a proton magnetic resonance ( 1H NMR) technique. Two minima of the spin-lattice relaxation time ( T1) are disclosed: at low temperatures a wide one attributed to a small-angle-libration of cations and motion of water molecules, whereas the high temperature one assigned to the reorientation of cation about its pseudo-fivefold axis.

  6. Dynamics and ferroelectric phase transition of (C{sub 3}N{sub 2}H{sub 5}){sub 5}Bi{sub 2}Br{sub 11} by means of ac calorimetry and {sup 1}H NMR relaxometry

    Energy Technology Data Exchange (ETDEWEB)

    Przeslawski, J. [Institute of Experimental Physics, University of Wroclaw, 9 Max Born Square, 50-204 Wroclaw (Poland); Medycki, W. [Institute of Molecular Physics, PAS, M. Smoluchowskiego 17, 60-179 Poznan (Poland); Piecha, A. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Jakubas, R., E-mail: ryszard.jakubas@chem.uni.wroc.pl [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Kruk, D. [Faculty of Mathematics and Computer Science, University of Warmia and Mazury in Olsztyn, 10-710 Olsztyn (Poland)

    2013-01-02

    Highlights: Black-Right-Pointing-Pointer The excess entropy clearly confirms an 'order-disorder' mechanism assigned to the dynamics of the imidazolium cations. Black-Right-Pointing-Pointer {sup 1}H NMR conformed dynamical heterogeneity of the imidazolium cations in low temperature phases. Black-Right-Pointing-Pointer The paraelectric-ferroelectric transition at 155 K is close to the tricritical one. -- Abstract: A quite uncommon type of heat anomaly has been disclosed by calorimetric experiments in ferroelectric crystal (C{sub 3}N{sub 2}H{sub 5}){sub 5}Bi{sub 2}Br{sub 11} close to the paraelectric-ferroelectric transition. Thermal parameters (such as the excess enthalpy ({Delta}H) and the excess entropy ({Delta}S)) of the continuous ferroelectric phase transition at ca. 155 K have been estimated and discussed. The entropy transition accompanying the ferroelectric phase transition (PT) of the order of 35 J/mol K confirms an 'order-disorder' mechanism. The ferroelectric-paraelectric PT has been described by the Landau model using the specific heat data.{sup 1}H spin-lattice relaxation at 25 MHz has been measured for this crystal in a very broad temperature range 90-420 K, covering two phase transitions (at 155 and 355 K). The relaxation data have been interpreted in terms of different dynamical properties of imidazolium cations put in structurally different environments.

  7. Integration of the barley genetic and seed proteome maps for chromosome 1H, 2H, 3H, 5H and 7H

    DEFF Research Database (Denmark)

    Finnie, Christine; Bagge, Merethe; Steenholdt, Torben; Østergaard, Ole; Bak-Jensen, Kristian Sass; Backes, Gunter; Jensen, Anais; Giese, Nanna Henriette; Larsen, Jørgen; Roepstorff, Peter; Svensson, Birte

    2009-01-01

    variation, including peroxidases, serpins and proteins with unknown functions. Cultivars were clustered based on the spot variation matrix. Cultivars with superior malting quality grouped together, indicating malting quality to be more closely correlated with seed proteomes than with SSR profiles. Mass...... spectrometry showed that some spot variations were caused by amino acid differences encoded by single nucleotide polymorphisms (SNPs). Coding SNPs were validated by mass spectrometry, expressed sequence tag and 2D gel data. Coding SNPs can alter function of affected proteins and may thus represent a link...... between cultivar traits, proteome and genome. Proteome analysis of doubled haploid lines derived from a cross between a malting (Scarlett) and a feed cultivar (Meltan) enabled genetic localisation of protein phenotypes represented by 48 spot variations, involving e.g. peroxidases, serpins, alpha...

  8. Protective Efficacy of an H5N1 Inactivated Vaccine Against Challenge with Lethal H5N1, H5N2, H5N6, and H5N8 Influenza Viruses in Chickens.

    Science.gov (United States)

    Zeng, Xianying; Chen, Pucheng; Liu, Liling; Deng, Guohua; Li, Yanbing; Shi, Jianzhong; Kong, Huihui; Feng, Huapeng; Bai, Jie; Li, Xin; Shi, Wenjun; Tian, Guobin; Chen, Hualan

    2016-05-01

    The Goose/Guangdong-lineage H5 viruses have evolved into diverse clades and subclades based on their hemagglutinin (HA) gene during their circulation in wild birds and poultry. Since late 2013, the clade 2.3.4.4 viruses have become widespread in poultry and wild bird populations around the world. Different subtypes of the clade 2.3.4.4 H5 viruses, including H5N1, H5N2, H5N6, and H5N8, have caused vast disease outbreaks in poultry in Asia, Europe, and North America. In this study, we developed a new H5N1 inactivated vaccine by using a seed virus (designated as Re-8) that contains the HA and NA genes from a clade 2.3.4.4 virus, A/chicken/Guizhou/4/13(H5N1) (CK/GZ/4/13), and its six internal genes from the high-growth A/Puerto Rico/8/1934 (H1N1) virus. We evaluated the protective efficacy of this vaccine in chickens challenged with one H5N1 clade 2.3.2.1b virus and six different subtypes of clade 2.3.4.4 viruses, including H5N1, H5N2, H5N6, and H5N8 strains. In the clade 2.3.2.1b virus DK/GX/S1017/13-challenged groups, half of the vaccinated chickens shed virus through the oropharynx and two birds (20%) died during the observation period. All of the control chickens shed viruses and died within 6 days of infection with challenge virus. All of the vaccinated chickens remained healthy following challenge with the six clade 2.3.4.4 viruses, and virus shedding was not detected from any of these birds; however, all of the control birds shed viruses and died within 4 days of challenge with the clade 2.3.4.4 viruses. Our results indicate that the Re-8 vaccine provides protection against different subtypes of clade 2.3.4.4 H5 viruses. PMID:27309064

  9. Synthesis and crystal structure of a copper complex with (E)-2-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-3, 4-dihydronaphthalen-1(2H)-one ligand

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shu-Wen, E-mail: sunsw0819@163.com [Yuncheng University, Department of Applied Chemistry (China); Zhang, Xiao, E-mail: zhangx@hit.edu.cn [Harbin Institute of Technology, Academy of Fundamental and Interdisciplinary Science (China); Wang, Gao-Feng [Yuncheng University, Department of Applied Chemistry (China)

    2015-12-15

    The title compound, C{sub 35}H{sub 23}CuF{sub 6}N{sub 3}O{sub 5}S{sub 2} (1), was synthesized by the reaction of Cu(tta){sub 2} and L{sup 1}, (L{sup 1} = (E)-2-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-3, 4-dihydronaphthalen-1(2H)-one) in the dichloromethane solution. It crystallizes in the monoclinic, space group P2{sub 1}/c with a = 33.8388(5), b = 9.3874(2), c = 21.8194(4) Å, β = 95.522(2), V = 6898.9(2) Å{sup 3}, Z = 8, D{sub x} = 1.554 Mg/m{sup 3}, F(000) = 3272, µ = 0.834 mm{sup –1}, R{sub 1} = 0.0639, wR{sub 2} = 0.1637. The copper(II) ion of 1 is in a distorted square-pyramidal environment with four O atoms of the two tta ligands and one N atom of triazole ligand L{sup 1}. Single-crystal X-ray diffraction data revealed that the hydrogen bonds, weak C–H···π and π···π interactions in the crystals link the coordination units to form 3D supramolecular structures.

  10. Synthesis and crystal structure of a copper complex with ( E)-2-(4-(1 H-1,2,4-triazol-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2 H)-one ligand

    Science.gov (United States)

    Sun, Shu-Wen; Zhang, Xiao; Wang, Gao-Feng

    2015-12-01

    The title compound, C35H23CuF6N3O5S2 ( 1), was synthesized by the reaction of Cu( tta)2 and L 1, ( L 1 = ( E)-2-(4-(1 H-1,2,4-triazol-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2 H)-one) in the dichloromethane solution. It crystallizes in the monoclinic, space group P21/ c with a = 33.8388(5), b = 9.3874(2), c = 21.8194(4) Å, β = 95.522(2), V = 6898.9(2) Å3, Z = 8, D x = 1.554 Mg/m3, F(000) = 3272, µ = 0.834 mm-1, R 1 = 0.0639, wR 2 = 0.1637. The copper(II) ion of 1 is in a distorted square-pyramidal environment with four O atoms of the two tta ligands and one N atom of triazole ligand L 1. Single-crystal X-ray diffraction data revealed that the hydrogen bonds, weak C-H···π and π···π interactions in the crystals link the coordination units to form 3D supramolecular structures.

  11. Synthesis and Crystal Structure of α-(-(1,2,4-Triazol-1H-yl)-ρ-chloro Acetophenone, [ClC6H4COCH2(C2H2N3)

    Institute of Scientific and Technical Information of China (English)

    建方方; 李艳; 肖海玲; 孙萍萍

    2003-01-01

    The title compound [ClC6H4COCH2(C2H2N3)] has been prepared and characterized by elemental analysis, IR spectrum and X-ray studies. It crystallizes in the monoclinic system, space group P21/c with Mr = 221.64 (C10H8ClN3O), a = 13.420(3), b = 9.720(2), c = 7.900(2)(A°),β= 92.00(3)o, V = 1029.9(4)(A°)3, Z = 4, Dc = 1.429 g/cm3, F(000) = 456,μ = 0.345 mm-1, R = 0.0435 and wR=0.0894. The total reflections were 1949 and the independent ones were 1805 (Rint=0.0340), of which 800 were observed with I > 2σ(I). The crystal structure consists of α-(1,2,4-triazol-1H- yl)-(-chloro-acetophenone. The existence of π conjugated systems in the molecule affects partly the bond lengths. The triazole and phenyl rings form the dihedral angle of 77.34o. The molecules of the title compound connect to each other through extensive hydrogen bonds to form a two-dimensional structure. Elemental analysis and IR spectra are in good agreement with the structure data.

  12. N'-((2-(6-bromo-2-oxo-2H-chromen-3-yl)-1H-indol-3-yl)methylene)benzohydrazide as a probable Bcl-2/Bcl-xL inhibitor with apoptotic and anti-metastatic potential.

    Science.gov (United States)

    Kamath, Pooja R; Sunil, Dhanya; Ajees, A Abdul; Pai, K S R; Biswas, Shubankar

    2016-09-14

    A wide number of marketed drugs and drug candidates in cancer clinical development contain halogen substituents. The aim of the present study was to synthesize a series of halogen incorporated indole-coumarin hybrid schiff bases - N'-((2-(2-oxo-2H-chromen-3-yl)-1H-indol-3-yl)methylene)benzohydrazides and to investigate their apoptotic and anti-migratory potential in human breast adenocarcinoma cells as well as to examine their Bcl-2 and Bcl-xL protein binding ability via in silico docking. Hybrid 5g with a bromine atom in position-7 of coumarin ring displayed significant dose dependent cytotoxic activity with high selectivity to MCF-7 cells in MTT assay. Cell cycle progression analysis of 5g treated cells using flow cytometer exhibited a cell cycle arrest in the S phase and accumulation of cells in the subG1 phase. The apoptotic mode of cell death induced by 5g was further confirmed by Annexin-V staining assay. The wound healing assay revealed a profound impairment in the migration of MCF-7 cells presumably due to down-regulation of Bcl-2 and Bcl-xL proteins induced by 5g as observed in immunoblotting analysis. SAR studies of these hybrid molecules based on cell viability and docking were also probed. The most active pharmacophore 5g was found to bind favourably to Bcl-2 and Bcl-xL in docking simulation analysis suggesting it to be a probable small molecule Bcl-2/Bcl-xL inhibitor and a potential lead for breast cancer chemotherapy with apoptotic and anti-metastatic properties. PMID:27187865

  13. An efficient synthesis of novel 3’-substituted 2-aryl-5-methyl-5'thioxo-[4,4'-bi-4H-1,2,4-triazol]-3(1'H, 2H-ones

    Directory of Open Access Journals (Sweden)

    RAVINDRA R. KAMBLE

    2006-04-01

    Full Text Available Asimple and high yieldingmethod for the integration of two 1,2,4-triazole rings (10a–l has been developed starting from 3-arylsydnones (1a–d. Confirmation for the structures of the newly synthesised compounds was provided by their physical, analytical and spectral data (IR, 1H NMR, 13C NMR and MS.

  14. Sequence-specific assignment of histidine and tryptophan ring 1H, 13C and 15N resonances in 13C/15N- and 2H/13C/15N-labelled proteins

    International Nuclear Information System (INIS)

    Methods are described to correlate aromatic 1Hδ2/13Cδ2 or 1Hε1/15Nε1 with aliphatic 13Cβ chemical shifts of histidine and tryptophan residues, respectively. The pulse sequences exclusively rely on magnetization transfers via one-bond scalar couplings and employ [15N, 1H]- and/or [13C, 1H]-TROSY schemes to enhance sensitivity. In the case of histidine imidazole rings exhibiting slow HN-exchange with the solvent, connectivities of these proton resonances with β-carbons can be established as well. In addition, their correlations to ring carbons can be detected in a simple [15N, 1H]-TROSY-H(N)Car experiment, revealing the tautomeric state of the neutral ring system. The novel methods are demonstrated with the 23-kDa protein xylanase and the 35-kDa protein diisopropylfluorophosphatase, providing nearly complete sequence-specific resonance assignments of their histidine δ-CH and tryptophan ε-NH groups

  15. 1-{[(Cyclohexyloxycarbonyl]oxy}ethyl 3-{[2′-(2-ethyl-2H-tetrazol-5-ylbiphenyl-4-yl]methyl}-2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate

    Directory of Open Access Journals (Sweden)

    A. Mohan

    2010-04-01

    Full Text Available In the title compound, C33H34N6O6, the dihydrobenzimidazol-2-one ring system is essentially planar (r.m.s. deviation = 0.021 Å. The cyclohexane ring adopts a chair conformation. In the 5-(biphenyl-2-yl-2H-tetrazole fragment, the tetrazole ring is twisted away from the attached benzene ring by 35.73 (11° and the two benzene rings form a dihedral angle of 68.00 (9°. An intramolecular C—H...O interaction is observed. In the crystal, the molecules are linked into a zigzag chain running along the b axis by intermolecular N—H...O hydrogen bonds.

  16. In Silico Identification of Highly Conserved Epitopes of Influenza A H1N1, H2N2, H3N2, and H5N1 with Diagnostic and Vaccination Potential

    Directory of Open Access Journals (Sweden)

    José Esteban Muñoz-Medina

    2015-01-01

    Full Text Available The unpredictable, evolutionary nature of the influenza A virus (IAV is the primary problem when generating a vaccine and when designing diagnostic strategies; thus, it is necessary to determine the constant regions in viral proteins. In this study, we completed an in silico analysis of the reported epitopes of the 4 IAV proteins that are antigenically most significant (HA, NA, NP, and M2 in the 3 strains with the greatest world circulation in the last century (H1N1, H2N2, and H3N2 and in one of the main aviary subtypes responsible for zoonosis (H5N1. For this purpose, the HMMER program was used to align 3,016 epitopes reported in the Immune Epitope Database and Analysis Resource (IEDB and distributed in 34,294 stored sequences in the Pfam database. Eighteen epitopes were identified: 8 in HA, 5 in NA, 3 in NP, and 2 in M2. These epitopes have remained constant since they were first identified (~91 years and are present in strains that have circulated on 5 continents. These sites could be targets for vaccination design strategies based on epitopes and/or as markers in the implementation of diagnostic techniques.

  17. Syntheses of [5-2H]-uracil, [5-2H]-cytosine, [6-2H]-uracil and [6-2H]-cytosine

    International Nuclear Information System (INIS)

    Syntheses of [5-2H]-, [6-2H]-uracil and [5-2H]-, [6-2H]-cytosine were investigated. The catalytic reaction of uracil or cytosine with 2H2 gas in alkaline media gave rise to [6-2H]-compounds almost exclusively. On the other hand, the reaction of 5-bromouracil or 5-bromocytosine with 2H2 gas gave rise to a mixture of [5-2H]-, [6-2H]- and [5-2H, 6-2H]-compounds depending on the experimental conditions. By controlling the temperature, the pressure of 2H2 gas and the amount of catalyst, [5-2H]-uracil and [5-2H]-cytosine were obtained. The isotopic distribution in each product was measured by 1H NMR spectroscopy combined with an HPLC method. (author)

  18. Identification of 2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic acid (setipiprant/ACT-129968), a potent, selective, and orally bioavailable chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2) antagonist.

    Science.gov (United States)

    Fretz, Heinz; Valdenaire, Anja; Pothier, Julien; Hilpert, Kurt; Gnerre, Carmela; Peter, Oliver; Leroy, Xavier; Riederer, Markus A

    2013-06-27

    Herein we describe the discovery of the novel CRTh2 antagonist 2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic acid 28 (setipiprant/ACT-129968), a clinical development candidate for the treatment of asthma and seasonal allergic rhinitis. A lead optimization program was started based on the discovery of the recently disclosed CRTh2 antagonist 2-(2-benzoyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic acid 5. An already favorable and druglike profile could be assessed for lead compound 5. Therefore, the lead optimization program mainly focused on the improvement in potency and oral bioavailability. Data of newly synthesized analogs were collected from in vitro pharmacological, physicochemical, in vitro ADME, and in vivo pharmacokinetic studies in the rat and the dog. The data were then analyzed using a traffic light selection tool as a visualization device in order to evaluate and prioritize candidates displaying a balanced overall profile. This data-driven process and the excellent results of the PK study in the rat (F = 44%) and the dog (F = 55%) facilitated the identification of 28 as a potent (IC50 = 6 nM), selective, and orally available CRTh2 antagonist. PMID:23721423

  19. nsilico biological evaluation of newly synthesized 1'-(4-Br omophenyl-4'- {4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene methyl] phenyl}-3'',4''- dihydroacenaphthylene-1-spiro-2'-pyrrolidine-3'-spi ro-2''-naphthalene- 2,1''(1H,2''H-dione against fungal target

    Directory of Open Access Journals (Sweden)

    Saravanan B

    2014-03-01

    Full Text Available Fungal infection is the commnest problem everywhere. Depending on the types of starin involves the strategy applies. Various spectral antibiotics have been incorporated as antifungals but fail to inhibit. This pilot study establishes the new synthesied compound 1'-(4-Bromophenyl-4'-{4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidenemethyl]phenyl}-3'',4''-dihydroacenaphthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-2,1''(1H,2''H-dione tested against the fungal target. Selected target retrieved from database and selected using biosynthetic pathways by using the cellular mechanism. This can be act as a check point to interrupt the pathway. Newly introduced pyrolidine based compound were dock with the glucose 6 phosphate synthase insilico docking tools and analyzed by X ray crystallography. Docking by molegro virualdocker (MVD shows good docking score and poses. It shows -141kcal/mol in first pose whichconsiders as a based score and structure based binding site. In conclusion, the synthesized compound can designate as drug.

  20. (3aS,7aS-5-[(S-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridin-3(2H-one monohydrate

    Directory of Open Access Journals (Sweden)

    Huichun Zhu

    2010-01-01

    Full Text Available rac-Benzyl 3-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H-carboxylate was separated by chiral chromatography, and one of the enantiomers ([α]22D = +10° was hydrogenated in the presence of Pd/C in methanol, producing octahydro-3H-pyrrolo[3,4-c]pyridin-3-one. The latter was reacted with (2R-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride [(R-(−-Mosher acid chloride], giving rise to the title compound, C17H19F3N2O3·H2O. The present structure established the absolute configuration of the pyrrolopiperidine fragment based on the known configuration of the (R-Mosher acid chloride. The piperidine ring has a somewhat distorted chair conformation and is cis-fused with the five-membered envelope-shaped ring; the plane of the exocyclic amide bond is approximately orthogonal to the plane of the phenyl ring, making a dihedral angle of 82.31 (3°. The water molecule acts as an acceptor to the proton of the amino group in an N—H...O interaction, and as a double proton donor in O—H...O hydrogen bonds, generating infinite bands along the a axis.

  1. Proton dynamics at low and high temperatures in a novel ferroelectric diammonium hypodiphosphate (NH4)2H2P2O6 (ADhP) as studied by 1H spin-lattice relaxation time and second moment of NMR line

    Science.gov (United States)

    Medycki, W.; Latanowicz, L.; Szklarz, P.; Jakubas, R.

    2013-06-01

    Proton spin-lattice relaxation times T1 at 24.7 MHz and 15 MHz and second moment of NMR line have been applied to study molecular dynamics of a novel ferroelectric (NH4)2H2P2O6 (Tc = 178 K) in the temperature range 10-290 K. Low-temperature T1 behaviour below Tc is interpreted in terms of Haupt's theory and Schrödinger correlation time of tunnelling jumps. A shallow T1 minimum observed around 39 K is attributed to the C3 classical motion of "intra" proton-proton vectors of NH3 (ammonium groups NH4+ may perform stochastic jumps about any of the four C3 symmetry axes). The tunnelling splitting of the ground state vibrational level, (νT)v0, of the same frequency for both ammonium groups was estimated as high as 900 MHz ((ℏωT)=3.7 μeV). This tunnelling splitting exists only in the ferroelectric phase. Magnetisation recovery is found to be non-exponential in the temperature regime 63-48 K. The temperature of 63 K is the discovered Ttun above which the probability of stochastic tunnelling jumps equals zero. The T1 relaxation time is temperature independent below 25 K, which is related to a constant value of the correlation time characterising tunnelling jumps according to Schrödinger. The T1 minima observed in the paraelectric phase (204 K at 15 MHz and 213 K at 24.7 MHz) as well as second moment reduction at about 130 K are attributed to isotropic motion of all protons.

  2. N-4-(二氯乙基)丁胺-1,8-萘酰亚胺对人肝癌HepG2细胞的抑制作用及其机制研究%Inhibition effect and mechanism of novel nitrogen mustard derivative 2 -(4 -di (2-chloroethyl) aminobutylamino)-1H-benz-[ de] isoquinoline-1,3(2H) -dione on human hepatoma HepG2 cells

    Institute of Scientific and Technical Information of China (English)

    苗久旺; 张忠泉; 谢松强

    2015-01-01

    目的:体外评价N-4-(二氯乙基)丁胺-1,8-萘酰亚胺( XHH)对HepG2细胞的抑制作用及其作用机制。方法采用MTT法检测细胞增殖,高内涵筛选分析仪结合Annexin V-FITC/Hoechst33342, PI/Hoechst33342和Rh123/Hoechst33342双染色法检测细胞形态及膜电位;免疫荧光法检测caspase-3, caspase-9, Bcl-2, Bax的表达水平。结果 XHH能抑制HepG2细胞增殖,诱导细胞凋亡,降低线粒体膜电位,提高Bax/Bcl-2,使caspase-3, caspase-9表达增加。结论 XHH具有较好的抗HepG2肿瘤细胞作用,可通过线粒体途径诱导细胞凋亡。%Objective To investigate the effects of 2-(4-di(2-chlo-roethyl) aminobutylamino)-1H-benz-[de]isoquinoline-1,3(2H)-dione( XHH) , a novel nitrogen mustard derivative, on the growth and apoptosis in human hepatoma HepG2 cells in vitro.Methods Cell pro-liferative effect was assessed by MTT assay.Changes of morphology and mitochondrial membrane potential ( MMP) were assessed by AnnexinV-FITC/Hoechst33342 , PI/Hoecsht33342 and Rh123/Hoechst33342 double staining using high content screening ( HCS ) .The expression of caspase-3 , caspase-9 , Bcl-2 , Bax was assessed by immunofluores-cence method using HCS. Results The results indicated that XHH could inhibit the proliferation of HepG2 cells, induce apoptosis, lose MMP, up-regulate the ratio of Bax/Bcl-2, increase the expression of caspase-3 , caspase-9.Conclusion XHH could inhibit proliferative of human hepatoma HepG2 cells and induce cell apoptosis via mitochon-drial pathway.

  3. The ancient mammalian KRAB zinc finger gene cluster on human chromosome 8q24.3 illustrates principles of C2H2 zinc finger evolution associated with unique expression profiles in human tissues

    Science.gov (United States)

    2010-01-01

    Background Expansion of multi-C2H2 domain zinc finger (ZNF) genes, including the Krüppel-associated box (KRAB) subfamily, paralleled the evolution of tetrapodes, particularly in mammalian lineages. Advances in their cataloging and characterization suggest that the functions of the KRAB-ZNF gene family contributed to mammalian speciation. Results Here, we characterized the human 8q24.3 ZNF cluster on the genomic, the phylogenetic, the structural and the transcriptome level. Six (ZNF7, ZNF34, ZNF250, ZNF251, ZNF252, ZNF517) of the seven locus members contain exons encoding KRAB domains, one (ZNF16) does not. They form a paralog group in which the encoded KRAB and ZNF protein domains generally share more similarities with each other than with other members of the human ZNF superfamily. The closest relatives with respect to their DNA-binding domain were ZNF7 and ZNF251. The analysis of orthologs in therian mammalian species revealed strong conservation and purifying selection of the KRAB-A and zinc finger domains. These findings underscore structural/functional constraints during evolution. Gene losses in the murine lineage (ZNF16, ZNF34, ZNF252, ZNF517) and potential protein truncations in primates (ZNF252) illustrate ongoing speciation processes. Tissue expression profiling by quantitative real-time PCR showed similar but distinct patterns for all tested ZNF genes with the most prominent expression in fetal brain. Based on accompanying expression signatures in twenty-six other human tissues ZNF34 and ZNF250 revealed the closest expression profiles. Together, the 8q24.3 ZNF genes can be assigned to a cerebellum, a testis or a prostate/thyroid subgroup. These results are consistent with potential functions of the ZNF genes in morphogenesis and differentiation. Promoter regions of the seven 8q24.3 ZNF genes display common characteristics like missing TATA-box, CpG island-association and transcription factor binding site (TFBS) modules. Common TFBS modules partly

  4. The ancient mammalian KRAB zinc finger gene cluster on human chromosome 8q24.3 illustrates principles of C2H2 zinc finger evolution associated with unique expression profiles in human tissues

    Directory of Open Access Journals (Sweden)

    Ding Guohui

    2010-03-01

    Full Text Available Abstract Background Expansion of multi-C2H2 domain zinc finger (ZNF genes, including the Krüppel-associated box (KRAB subfamily, paralleled the evolution of tetrapodes, particularly in mammalian lineages. Advances in their cataloging and characterization suggest that the functions of the KRAB-ZNF gene family contributed to mammalian speciation. Results Here, we characterized the human 8q24.3 ZNF cluster on the genomic, the phylogenetic, the structural and the transcriptome level. Six (ZNF7, ZNF34, ZNF250, ZNF251, ZNF252, ZNF517 of the seven locus members contain exons encoding KRAB domains, one (ZNF16 does not. They form a paralog group in which the encoded KRAB and ZNF protein domains generally share more similarities with each other than with other members of the human ZNF superfamily. The closest relatives with respect to their DNA-binding domain were ZNF7 and ZNF251. The analysis of orthologs in therian mammalian species revealed strong conservation and purifying selection of the KRAB-A and zinc finger domains. These findings underscore structural/functional constraints during evolution. Gene losses in the murine lineage (ZNF16, ZNF34, ZNF252, ZNF517 and potential protein truncations in primates (ZNF252 illustrate ongoing speciation processes. Tissue expression profiling by quantitative real-time PCR showed similar but distinct patterns for all tested ZNF genes with the most prominent expression in fetal brain. Based on accompanying expression signatures in twenty-six other human tissues ZNF34 and ZNF250 revealed the closest expression profiles. Together, the 8q24.3 ZNF genes can be assigned to a cerebellum, a testis or a prostate/thyroid subgroup. These results are consistent with potential functions of the ZNF genes in morphogenesis and differentiation. Promoter regions of the seven 8q24.3 ZNF genes display common characteristics like missing TATA-box, CpG island-association and transcription factor binding site (TFBS modules. Common TFBS

  5. Ion-extraction polarimetry for a polarized 1H/2H internal target

    International Nuclear Information System (INIS)

    We report on the development of a polarimeter for measuring in-situ the tensor polarization of a deuterium internal target in an electron ring. The method takes advantage of the ionization of atoms and molecules by the stored electron beam passing through the target cell. The number of ions produced along the storage cell is directly proportional to the product of target density and beam current. The total target polarization can be obtained independent of its spatial and temporal variations by uniformly extracting these ions from the cell, measuring their atomic and molecular fractions, and by directly determining their nuclear polarization. copyright 1998 American Institute of Physics

  6. Determination of muscle protein synthesis rates in fish using (2)H2O and (2)H NMR analysis of alanine.

    Science.gov (United States)

    Marques, Cátia; Viegas, Filipa; Rito, João; Jones, John; Viegas, Ivan

    2016-09-15

    Following administration of deuterated water ((2)H2O), the fractional synthetic rate (FSR) of a given endogenous protein can be estimated by (2)H-enrichment quantification of its alanine residues. Currently, this is measured by mass spectrometry following a derivatization procedure. Muscle FSR was measured by (1)H/(2)H NMR analysis of alanine from seabass kept for 6 days in 5% (2)H-enriched saltwater, following acid hydrolysis and amino acid isolation by cation-exchange chromatography of muscle tissue. The analysis is simple and robust, and provides precise measurements of excess alanine (2)H-enrichment in the 0.1-0.4% range from 50 mmol of alanine recovered from muscle protein. PMID:27418547

  7. Genetic divergence in domesticated and non-domesticated gene regions of barley chromosomes.

    Directory of Open Access Journals (Sweden)

    Songxian Yan

    Full Text Available Little is known about the genetic divergence in the chromosomal regions with domesticated and non-domesticated genes. The objective of our study is to examine the effect of natural selection on shaping genetic diversity of chromosome region with domesticated and non-domesticated genes in barley using 110 SSR markers. Comparison of the genetic diversity loss between wild and cultivated barley for each chromosome showed that chromosome 5H had the highest divergence of 35.29%, followed by 3H, 7H, 4H, 2H, 6H. Diversity ratio was calculated as (diversity of wild type - diversity of cultivated type/diversity of wild type×100%. It was found that diversity ratios of the domesticated regions on 5H, 1H and 7H were higher than those of non-domesticated regions. Diversity ratio of the domesticated region on 2H and 4H is similar to that of non-domesticated region. However, diversity ratio of the domesticated region on 3H is lower than that of non-domesticated region. Averaged diversity among six chromosomes in domesticated region was 33.73% difference between wild and cultivated barley, and was 27.56% difference in the non-domesticated region. The outcome of this study advances our understanding of the evolution of crop chromosomes.

  8. Decreased insulin clearance in individuals with elevated 1-h post-load plasma glucose levels.

    Directory of Open Access Journals (Sweden)

    Maria Adelaide Marini

    Full Text Available Reduced insulin clearance has been shown to predict the development of type 2 diabetes. Recently, it has been suggested that plasma glucose concentrations ≥ 8.6 mmol/l (155 mg/dl at 1 h during an oral glucose tolerance test (OGTT can identify individuals at high risk for type 2 diabetes among those who have normal glucose tolerance (NGT 1 h-high. The aim of this study was to examine whether NGT 1 h-high have a decrease in insulin clearance, as compared with NGT individuals with 1-h post-load glucose <8.6 mmol/l (l (155 mg/dl, NGT 1 h-low. To this end, 438 non-diabetic White individuals were subjected to OGTT and euglycemic-hyperinsulinemic clamp to evaluate insulin clearance and insulin sensitivity. As compared with NGT 1 h-low individuals, NGT 1 h-high had significantly higher 1-h and 2-h post-load plasma glucose and 2-h insulin levels as well as higher fasting glucose and insulin levels. NGT 1 h-high exhibited also a significant decrease in both insulin sensitivity (P<0.0001 and insulin clearance (P = 0.006 after adjusting for age, gender, adiposity measures, and insulin sensitivity. The differences in insulin clearance remained significant after adjustment for fasting glucose (P = 0.02 in addition to gender, age, and BMI. In univariate analyses adjusted for gender and age, insulin clearance was inversely correlated with body weight, body mass index, waist, fat mass, 1-h and 2-h post-load glucose levels, fasting, 1-h and 2-h post-load insulin levels, and insulin-stimulated glucose disposal. In conclusion, our data show that NGT 1 h-high have a reduction in insulin clearance as compared with NGT 1 h-low individuals; this suggests that impaired insulin clearance may contribute to sustained fasting and post-meal hyperinsulinemia.

  9. Main: 1H82 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H82 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...PEGKGREFFLYASSRRGYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H82.jpg ...

  10. Main: 1H84 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H84 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...GYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H84.jpg ...

  11. Main: 1H86 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H86 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...PEGKGREFFLYASSRRGYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H86.jpg ...

  12. Main: 1H83 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H83 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...GYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H83.jpg ...

  13. Main: 1H81 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H81 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...PEGKGREFFLYASSRRGYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H81.jpg ...

  14. Main: 1H49 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H49 トウモロコシ Corn Zea mays L. Beta-Glucosidase, Chloroplast Precursor Name=Glu1; Zea...NPWIYMYPEGLKDLLMIMKNKYGNPPIYITENGIGDVDTKETPLPMEAALNDYKRLDYIQRHIATLKESIDLGSNVQGYFAWSLLDNFEWFAGFTERYGIVYVDRNNNCTRYMKESAKWLKEFNTAKKPSKKILTPA corn_1H49.jpg ...

  15. Environmental, trophic, and ecological factors influencing bone collagen δ2H

    Science.gov (United States)

    Topalov, Katarina; Schimmelmann, Arndt; David Polly, P.; Sauer, Peter E.; Lowry, Mark

    2013-06-01

    Organic deuterium/hydrogen stable isotope ratios (i.e., 2H/1H, expressed as δ2H value in ‰) in animal tissues are related to the 2H/1H in diet and ingested water. Bone collagen preserves the biochemical 2H/1H isotopic signal in the δ2H value of collagen's non-exchangeable hydrogen. Therefore, δ2H preserved in bone collagen has the potential to constrain environmental and trophic conditions, which is of interest to researchers studying of both living and fossil vertebrates. Our data examine the relationship of δ2H values of collagen with geographic variation in δ2H of meteoric waters, with local variations in the ecology and trophic level of species, and with the transition from mother's milk to adult diet. Based on 97 individuals from 22 marine and terrestrial vertebrates (predominately mammals), we found the relationships of collagen δ2H to both geographic variation in meteoric water δ2H (R2 = 0.55) and to δ15N in bone collagen (R2 = 0.17) statistically significant but weaker than previously reported. The second strongest control on collagen δ2H in our data is dietary, with nearly 50 percent of the variance in δ2H explained by trophic level (R2 = 0.47). Trophic level effects potentially confound the local meteoric signal if not held constant: herbivores tend to have the lowest δ2H values, omnivores have intermediate ones, and carnivores have the highest values. Body size (most likely related to mass-specific metabolic rates) has a strong influence on collagen δ2H (R2 = 0.30), by causing greater sensitivity in smaller animals to seasonal climate variations and/or high evapotranspiration leading to 2H-enrichment in tissues. In marine mammals weaning produces a dramatic effect on collagen δ2H with adult values being universally higher than pup values (R2 = 0.79). Interestingly, the shift in δ15N at weaning is downward, even though normally hydrogen and nitrogen isotope ratios are positively correlated with one another in respect to trophic level. Our

  16. {sup 1}H MR spectroscopy in epilepsy

    Energy Technology Data Exchange (ETDEWEB)

    Hajek, Milan [MR Unit, Department of Diagnostic and Interventional Radiology, Institute for Clinical and Experimental Medicine, Videnska 1958/9, 140 21 Prague (Czech Republic)], E-mail: miha@medicon.cz; Dezortova, Monika [MR Unit, Department of Diagnostic and Interventional Radiology, Institute for Clinical and Experimental Medicine, Videnska 1958/9, 140 21 Prague (Czech Republic)], E-mail: mode@medicon.cz; Krsek, Pavel [Department of Pediatric Neurology, Charles University, Second Medical School, Motol Hospital, V Uvalu 84, 150 06 Prague 5 (Czech Republic)], E-mail: pavel.krsek@post.cz

    2008-08-15

    The introduction to the application of {sup 1}H MR spectroscopy for clinical and research studies of mesial temporal and extratemporal epilepsies is done. The techniques of single voxel and spectroscopic imaging are discussed and the analysis of {sup 1}H MR spectra together with basic metabolic descriptions is presented.

  17. 1H MR spectroscopy in epilepsy

    International Nuclear Information System (INIS)

    The introduction to the application of 1H MR spectroscopy for clinical and research studies of mesial temporal and extratemporal epilepsies is done. The techniques of single voxel and spectroscopic imaging are discussed and the analysis of 1H MR spectra together with basic metabolic descriptions is presented

  18. Galápagos hydroclimate of the Common Era from paired microalgal and mangrove biomarker 2H/1H values

    Science.gov (United States)

    Nelson, Daniel B.; Sachs, Julian P.

    2016-03-01

    Tropical maritime precipitation affects global atmospheric circulation, influencing storm tracks and the size and location of subtropical deserts. Paleoclimate evidence suggests centuries-long changes in rainfall in the tropical Pacific over the past 2,000 y, but these remain poorly characterized across most of the ocean where long, continuous proxy records capable of resolving decadal-to-centennial climate changes are still virtually nonexistent despite substantial efforts to develop them. Here we apply a new climate proxy based on paired hydrogen isotope ratios from microalgal and mangrove-derived sedimentary lipids in the Galápagos to reconstruct maritime precipitation changes during the Common Era. We show that increased rainfall during the Little Ice Age (LIA) (∼1400-1850 CE) was likely caused by a southward migration of the Intertropical Convergence Zone (ITCZ), and that this shift occurred later than previously recognized, coeval with dynamically linked precipitation changes in South America and the western tropical Pacific. Before the LIA, we show that drier conditions at the onset of the Medieval Warm Period (∼800-1300 CE) and wetter conditions ca. 2 ka were caused by changes in the El Niño/Southern Oscillation (ENSO). Collectively, the large natural variations in tropical rainfall we detect, each linked to a multicentury perturbation of either ENSO-like variability or the ITCZ, imply a high sensitivity of tropical Pacific rainfall to climate forcings.

  19. Localization of histamine (H1, H2, H3 and H4) receptors in mouse inner ear.

    Science.gov (United States)

    Takumida, Masaya; Takumida, Hiroshi; Anniko, Matti

    2016-06-01

    Conclusion The present findings show that all four types of histamine receptors (H1R, H2R, H3R, and H4R) are present in the inner ear, thus supporting the hypothesis that histamine plays a physiological role in the inner ear. Objective To analyse the presence of histamine receptors in the normal mouse inner ear. Methods CBA/J mice were used in this study. The localization of H1R, H2R, H3R, and H4R in the inner ear, i.e. cochlea, vestibular end organs, vestibular ganglion, and endolymphatic sac, was studied by real-time PCR and immunohistochemistry. Results The mRNA for each receptor sub-type was detected in the inner ear. In the immunohistochemical study, the organ of Corti, spiral ganglion, vestibular ganglion, vestibular sensory epithelium, and endolymphatic sac cells showed an immunofluorescent reaction to all histamine receptors. PMID:26854127

  20. 6-Bromo-2-(diprop-2-ynylamino-1H-benzo[de]isoquinoline-1,3(2H-dione

    Directory of Open Access Journals (Sweden)

    Jing-Song Lv

    2012-06-01

    Full Text Available The asymmetric unit of the title compound, C18H11BrN2O2, contains two independent molecules in which the prop-2-ynylamino groups have different mutual orientations. In one molecule, the Br atom is disordered over two positions, with refined occupancies of 0.742 (2 and 0.258 (2.

  1. 5-Butylamino-2-[2-(dimethylaminoethyl]-1H-benz[de]isoquinoline-1,3(2H-dione

    Directory of Open Access Journals (Sweden)

    Li-Juan Xie

    2010-06-01

    Full Text Available The title compound, C20H25N3O2, is a new amonafide analogue, which exhibits antitumor activity. The asymmetric unit contains two molecules with similar conformations for the substituted aliphatic chains. The two independent molecules form dmers through N—H...N hydrogen bonds. The crystal structure is stabilized via π–π stacking interactions, the shortest centroid–centroid separation between six-membered rings being 3.673 (2 Å.

  2. Galápagos hydroclimate of the Common Era from paired microalgal and mangrove biomarker 2H/1H values.

    Science.gov (United States)

    Nelson, Daniel B; Sachs, Julian P

    2016-03-29

    Tropical maritime precipitation affects global atmospheric circulation, influencing storm tracks and the size and location of subtropical deserts. Paleoclimate evidence suggests centuries-long changes in rainfall in the tropical Pacific over the past 2,000 y, but these remain poorly characterized across most of the ocean where long, continuous proxy records capable of resolving decadal-to-centennial climate changes are still virtually nonexistent despite substantial efforts to develop them. Here we apply a new climate proxy based on paired hydrogen isotope ratios from microalgal and mangrove-derived sedimentary lipids in the Galápagos to reconstruct maritime precipitation changes during the Common Era. We show that increased rainfall during the Little Ice Age (LIA) (∼1400-1850 CE) was likely caused by a southward migration of the Intertropical Convergence Zone (ITCZ), and that this shift occurred later than previously recognized, coeval with dynamically linked precipitation changes in South America and the western tropical Pacific. Before the LIA, we show that drier conditions at the onset of the Medieval Warm Period (∼800-1300 CE) and wetter conditionsca 2 ka were caused by changes in the El Niño/Southern Oscillation (ENSO). Collectively, the large natural variations in tropical rainfall we detect, each linked to a multicentury perturbation of either ENSO-like variability or the ITCZ, imply a high sensitivity of tropical Pacific rainfall to climate forcings. PMID:26976574

  3. Dynamic stereochemistry of erigeroside by measurement of 1H- 1H and 13C- 1H coupling constants

    Science.gov (United States)

    Tafazzoli, Mohsen; Ghiasi, Mina; Moridi, Mahdi

    2008-07-01

    Erigeroside was extracted from Satureja khuzistanica Jamzad (Marzeh Khuzistani in Persian, family of lamiaceae), and 1H, 13C, 13C{ 1H}, 1H- 1H COSY, HMQC and J-HMBC were obtained to identify this compound and determine a complete set of J-coupling constants ( 1JC-H, 2JC-H, 3JC-H and 3JH-H) values within the exocyclic hydroxymethyl group (CH 2OH) and anomeric center. In parallel, density functional theory (DFT) using B3LYP functional and split-valance 6-311++G** basis set has been used to optimized the structures and conformers of erigeroside. In all calculations solvent effects were considered using a polarized continuum (overlapping spheres) model (PCM). The dependencies of 1J, 2J and 3J involving 1H and 13C on the C 5'-C 6' ( ω), C 6'-O 6' ( θ) and C 1'-O 1' ( φ) torsion angles in erigeroside were computed using DFT method. Complete hyper surfaces for 1JC1',H1', 2JC5',H6'R, 2JC5',H6'S, 2JC6',H5', 3JC4',H6'R, 3JC4',H6'S and 2JH6'R-H5'S as well as 3JH5',H6'R were obtained and used to derive Karplus equations to correlate these couplings to ω, θ and φ. These calculated J-couplings are in agreement with experimental values. These results confirm the reliability of DFT calculated coupling constants in aqueous solution.

  4. Intense laser induced field ionization of C2H2, C2H4,and C2H6

    Institute of Scientific and Technical Information of China (English)

    GAO Lirong; JI Na; XONG Yijia; TANG Xiaoping; KONG Fan'ao

    2003-01-01

    Using HOMO Field Ionization Model, the tunneling probabilities and the theoretical threshold intensities of the field ionizations of acetylene, ethylene, and ethane in intense laser field are calculated. C2H2, C2H4, and C2H6 were irradiated by 800 nm, 100 fs laser pulses with the intensity range of 1013-1014 W/cm2. A TOF-mass spectrometer was coupled to the laser system and used to experimentally investigate the field ionization of these molecules. The experimental ionization threshold intensities are obtained. The calculating results of the three molecules agree well with the experimental results, indicating that HOMO Field Ionization Model is valid for the ionization of polyatomic molecules in intense laser field.

  5. Investigation on the Interactions of NiCR and NiCR-2H with DNA

    Science.gov (United States)

    Chitranshi, Priyanka; Chen, Chang-Nan; Jones, Patrick R.; Faridi, Jesika S.; Xue, Liang

    2010-01-01

    We report here a biophysical and biochemical approach to determine the differences in interactions of NiCR and NiCR-2H with DNA. Our goal is to determine whether such interactions are responsible for the recently observed differences in their cytotoxicity toward MCF-7 cancer cells. Viscosity measurement and fluorescence displacement titration indicated that both NiCR and NiCR-2H bind weakly to duplex DNA in the grooves. The coordination of NiCR-2H with the N-7 of 2′-deoxyguanosine 5′-monophosphate (5′-dGMP) is stronger than that of NiCR as determined by 1H NMR. NiCR-2H, like NiCR, can selectively oxidize guanines present in distinctive DNA structures (e.g., bulges), and notably, NiCR-2H oxidizes guanines more efficiently than NiCR. In addition, UV and 1H NMR studies revealed that NiCR is oxidized into NiCR-2H in the presence of KHSO5 at low molar ratios with respect to NiCR (≤4). PMID:20671951

  6. Chromosomal aberration

    International Nuclear Information System (INIS)

    Chromosomal aberrations are classified into two types, chromosome-type and chromatid-type. Chromosom-type aberrations include terminal deletion, dicentric, ring and interstitial deletion, and chromatid-type aberrations include achromatic lesion, chromatid deletion, isochromatid deletion and chromatid exchange. Clastogens which induce chromosomal aberration are divided into ''S-dependent'' agents and ''S-independent''. It might mean whether they can induce double strand breaks independent of the S phase or not. Double strand breaks may be the ultimate lesions to induce chromosomal aberrations. Caffeine added even in the G2 phase appeared to modify the frequency of chromatid aberrations induced by X-rays and mitomycin C. Those might suggest that the G2 phase involves in the chromatid aberration formation. The double strand breaks might be repaired by ''G2 repair system'', the error of which might yield breakage types of chromatid aberrations and the by-pass of which might yield chromatid exchanges. Chromosome-type aberrations might be formed in the G1 phase. (author)

  7. Phenolic content variability and its chromosome location in tritordeum

    Directory of Open Access Journals (Sweden)

    Fernando ePistón

    2014-01-01

    Full Text Available For humans, wheat is the most important source of calories, but it is also a source of antioxidant compounds that are involved in the prevention of chronic disease. Among the antioxidant compounds, phenolic acids have great potential to improve human health. In this paper we evaluate the effect of environmental and genetic factors on the phenolic content in the grain of a collection of tritordeums with different cytoplasm and chromosome substitutions. To this purpose, tritordeum flour was used for extraction of the free, conjugates and bound phenolic compounds. These phenolic compounds were identified and quantified by RP-HPLC and the results were analyzed by univariate and multivariate methods. This is the first study that describes the composition of phenolic acids of the amphiploid tritordeum. As in wheat, the predominant phenolic compound is ferulic acid. In tritordeum there is great variability for the content of phenolic compounds and the main factor which determines its content is the genotype followed by the environment, in this case include in the year factor. Phenolic acid content is associated with the substitution of chromosome DS1D(1H$^{ch}$ and DS2D(2H$^{ch}$, and the translocation 1RS/1BL in tritordeum. The results show that there is high potential for further improving the quality and quantity of phenolics in tritordeum because this amphiploid shows high variability for the content of phenolic compounds.

  8. Synthesis of 1-C2H3 theophylline and 3-C2H3 theophylline

    International Nuclear Information System (INIS)

    This article describes a three step-selective deuteration method of 1-methyl and 3-methylxanthine, after protection of the N-7 position by chloromethylpivalate and alkylation by trideuteromethyl iodide ; yielding 1-C2H3 and 3-C2H3 theophylline. (author)

  9. 5,5′-(Butane-1,4-diylbis(1H-tetrazole dihydrate

    Directory of Open Access Journals (Sweden)

    Jian-Hua Xin

    2010-12-01

    Full Text Available The title compound, C6H10N8·2H2O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetrazole molecule lies on a crystallographic centre of inversion and is linked to the water molecules by N—H...O and O—H...N hydrogen bonds, forming a two-dimensional supramolecular structure in the crystal.

  10. Supramolecular stabilization of N(2)H(7)(+).

    Science.gov (United States)

    Atwood, Jerry L; Barbour, Leonard J; Jerga, Agoston

    2002-03-13

    The cation N(2)H(7)(+) has been stabilized in a largely hydrophobic supramolecular environment and characterized in the solid state. The cation is situated in the bowl-shaped cavity of calix[4]arene. All of the hydrogen atoms are clearly discernible owing to high-quality X-ray data as well as lack of disorder and symmetry-imposed ambiguity. It appears that electrostatic interactions play a critical role in stabilizing the structure. PMID:11878959

  11. Protein kinase C-α mediates TNF release process in RBL-2H3 mast cells

    OpenAIRE

    Abdel-Raheem, Ihab T; Hide, Izumi; Yanase, Yuhki; Shigemoto-Mogami, Yukari; SAKAI, Norio; Shirai, Yasuhito; Saito, Naoaki; Hamada, Farid M; El-Mahdy, Nagh A; Elsisy, Alaa El-Din E; Sokar, Samya S; Nakata, Yoshihiro

    2005-01-01

    To clarify the mechanism of mast cell TNF secretion, especially its release process after being produced, we utilized an antiallergic drug, azelastine (4-(p-chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)- phthalazinone), which has been reported to inhibit TNF release without affecting its production in ionomycin-stimulated RBL-2H3 cells.Such inhibition was associated with the suppression of an ionomycin-induced increase in membrane-associated PKC activity rather than the suppressi...

  12. Dissociative recombination of N2H+

    Science.gov (United States)

    dos Santos, S. Fonseca; Ngassam, V.; Orel, A. E.; Larson, Å.

    2016-08-01

    The direct and indirect mechanisms of dissociative recombination of N2H+ are theoretically studied. At low energies, the electron capture is found to be driven by recombination into bound Rydberg states, while at collision energies above 0.1 eV, the direct capture and dissociation along electronic resonant states becomes important. Electron-scattering calculations using the complex Kohn variational method are performed to obtain the scattering matrix as well as energy positions and autoionization widths of resonant states. Potential-energy surfaces of electronic bound states of N2H and N2H+ are computed using structure calculations with the multireference configuration interaction method. The cross section for the indirect mechanism is calculated using a vibrational frame transformation of the elements of the scattering matrix at energies just above the ionization threshold. Here vibrational excitations of the ionic core from v =0 to v =1 and v =2 for all three normal modes are considered and autoionization is neglected. The cross section for the direct dissociation along electronic resonant states is computed with wave-packet calculations using the multiconfiguration time-dependent Hartree method, where all three internal degrees of freedom are considered. The calculated cross sections are compared to measurements.

  13. 1H NMR in a-Si

    Science.gov (United States)

    Carlos, W. E.; Taylor, P. C.

    1982-10-01

    Results of pulsed NMR studies of hydrogen in a-Si: H prepared at several laboratories by glow discharge of silane are presented. The origins of the two 1H NMR lines seen in almost all samples of a-Si: H are discussed. Solid-echo measurements are presented which indicate that these two components are due to spatially isolated groups of protons. We attribute the narrow line to protons slightly clustered in the bulk of the material and the broad line to protons distributed on internal surfaces. The spin-lattice relaxation time shows a minimum at T~30 K which is interpreted as due to relaxation via spin diffusion to a small number of H2 molecules acting as relaxation centers. Annealing results suggest that all the hydrogen molecules are trapped in very similar sites.

  14. Synthetic chromosomes.

    Science.gov (United States)

    Schindler, Daniel; Waldminghaus, Torsten

    2015-11-01

    What a living organism looks like and how it works and what are its components-all this is encoded on DNA, the genetic blueprint. Consequently, the way to change an organism is to change its genetic information. Since the first pieces of recombinant DNA have been used to transform cells in the 1970s, this approach has been enormously extended. Bigger and bigger parts of the genetic information have been exchanged or added over the years. Now we are at a point where the construction of entire chromosomes becomes a reachable goal and first examples appear. This development leads to fundamental new questions, for example, about what is possible and desirable to build or what construction rules one needs to follow when building synthetic chromosomes. Here we review the recent progress in the field, discuss current challenges and speculate on the appearance of future synthetic chromosomes. PMID:26111960

  15. New determination of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reaction rates at astrophysical energies

    Energy Technology Data Exchange (ETDEWEB)

    Tumino, A.; Spartà, R.; Spitaleri, C.; Pizzone, R. G.; La Cognata, M.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Laboratori Nazionali del Sud-INFN, Catania (Italy); Mukhamedzhanov, A. M. [Cyclotron Institute Texas A and M University-College Station, Texas (United States); Typel, S. [GSI Helmholtzzentrum für Schwerionenforschung GmbH-Theorie Darmstadt (Germany); Tognelli, E.; Degl' Innocenti, S.; Prada Moroni, P. G. [Dipartimento di Fisica, Università di Pisa, and INFN-Sezione di Pisa, Pisa (Italy); Burjan, V.; Kroha, V.; Hons, Z.; Mrazek, J.; Piskor, S. [Nuclear Physics Institute of ASCR-Rez near Prague (Czech Republic); Lamia, L., E-mail: tumino@lns.infn.it [Dipartimento di Fisica e Astronomia, Università degli Studi di Catania, Catania (Italy)

    2014-04-20

    The cross sections of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions have been measured via the Trojan Horse method applied to the quasi-free {sup 2}H({sup 3}He,p {sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n {sup 3}He){sup 1}H processes at 18 MeV off the proton in {sup 3}He. For the first time, the bare nucleus S(E) factors have been determined from 1.5 MeV, across the relevant region for standard Big Bang nucleosynthesis, down to the thermal energies of deuterium burning in the pre-main-sequence (PMS) phase of stellar evolution, as well as of future fusion reactors. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from the available direct data and existing fitting curves, with substantial variations in the electron screening by more than 50%. As a consequence, the reaction rates for astrophysics experience relevant changes, with a maximum increase of up to 20% at the temperatures of the PMS phase. From a recent primordial abundance sensitivity study, it turns out that the {sup 2}H(d,n){sup 3}He reaction is quite influential on {sup 7}Li, and the present change in the reaction rate leads to a decrease in its abundance by up to 10%. The present reaction rates have also been included in an updated version of the FRANEC evolutionary code to analyze their influence on the central deuterium abundance in PMS stars with different masses. The largest variation of about 10%-15% pertains to young stars (≤1 Myr) with masses ≥1 M {sub ☉}.

  16. Tetraaqua{1-[(1H-1,2,3-benzotriazol-1-ylmethyl]-1H-1,2,4-triazole}sulfatocobalt(II dihydrate

    Directory of Open Access Journals (Sweden)

    Yu-xian Li

    2011-08-01

    Full Text Available In the title complex, [Co(SO4(C9H8N6(H2O4]·2H2O, the CoII ion is six-coordinated by one N atom from a 1H-1,2,3-benzotriazol-1-ylmethyl]-1H-1,2,4-triazole ligand, one O atom from a monodentate sulfate ligand and four water molecules in a slightly distorted octahedral geometry. The sulfate ligand is rotationally disordered over two sets of sites with refined occupancies of 0.662 (15 and 0.338 (15. In the crystal, complex molecules and solvent water molecules are linked through intermolecular O—H...O and O—H...N hydrogen bonds into a three-dimensional network.

  17. Crystal structures and luminescence properties of two Cd(II) complexes based on 2-(1H-imidazol-1methyl)-6-methyl-1H-benzimidazole

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yuhong; Meng, Xiangru; Wen, Yu; Li, Peng; Ma, Lin [Zhengzhou Univ. (China). College of Chemistry and Molecular Engineering; Zhang, Qiuju [Zhengzhou Univ. (China). Clinical Testing Section

    2015-11-01

    Two new complexes, {[Cd(immb)I_2].DMF}{sub n} (1) and {[Cd_3(immb)(btc)_2]. H_2O}{sub n} (2) (immb = 2-(1H-imidazol- 1-methyl)-6-methyl-1H-benzimidazole, btc = 1,2,3-benzenetricarboxylate, DMF = dimethyl formamide), have been synthesized and characterized. Single crystal X-ray diffraction shows that 1 exhibits a chain structure constructed by immb ligands bridging Cd(II) ions. In 2, Cd(II) ions are linked by immb ligands with bridging mode and btc3- anions with the μ{sub 2}-η{sup 2}:η{sup 1} bonding pattern leading to a 2D structure. Luminescent properties have been investigated in the solid state at room temperature.

  18. Synthesis and Molecular Structure of 1,5,1',5'-Tetraphenyl-1H,1H'-3,3'-dialkylthio-bi-1,2,4-triazole

    Institute of Scientific and Technical Information of China (English)

    JIANG Wen-Qing; LIU Tian-Bao; ZOU Jian-Ping; ZHANG Yong

    2007-01-01

    The title compound 1,5,1',5'-tetraphenyl-1H,1H'-3,3'-dialkylthio-bi-1,2,4-triazole (2, C28H20N6S2, Mr=504.62) was prepared by the reaction of 1-benzoyl-3-phenylaminothiourea 1 and Mn(OAc)3·2H2O in acetic acid under microwave irradiation. The crystal is of monoclinic, space group P21/c with a=11.3931(10), b=16.5787(14), c=26.470(2) (A), β=98.274(2)°, Z=8, V=4947.8(8) (A)3, Dc=1.355 g/cm3, μ(MoKα) (A) 0.245 mm-1, F(000)=2096, the final R=0.0583 and Wr=0.1502 for 8705 observed reflections (Ⅰ > 2σ(Ⅰ)). X-ray analysis reveals that the title compound is 1,5,1',5'-tetraphenyl-1H,1H'-3,3'-dialkylthio-bi-1,2,4-triazole, and its formation mechanism was proposed.

  19. Spectroscopic Studies with N-Chloroarylsulphonamides: IR and 1H, 13C and 23Na Nmr Spectra of Sodium Salts of N-Chloro-Mono- and Di-Substituted-Benzenesulphonamides, 4-X-C6H4SO2NANCl (X = H; CH3; C2H5; F; Cl; Br; I or NO2) and i-X, j-YC6H3SO2NANCl (i-X, j-Y = 2,3-(CH3)2; 2,4-(CH3)2; 2,5-(CH3)2; 2-CH3, 4-Cl; 2-CH3, 5-Cl; 3-CH3, 4-Cl; 2,4-Cl2 or 3,4-Cl2)

    Science.gov (United States)

    Gowda; D'Souza, J. D.; Kumar, B. H. Arun

    2003-01-01

    In an effort to introduce N-chloroarylsulphonamides of different oxydising strengths, sixteen sodium salts of N-chloro-mono- and di-substituted benzenesulphonamides of the configuration, 4- X-C6H4SO2NaNCl (where X = H; CH3; C2H5; F; Cl; Br; I or NO2) and i-X, j-YC6H3SO2NaNCl (where i-X, j-Y = 2,3-(CH3)2; 2,4-(CH3)2; 2,5-(CH3)2; 2-CH3,4-Cl; 2-CH3,5-Cl; 3-CH3,4-Cl; 2,4- Cl2 or 3,4-Cl2) are prepared, characterized through their infrared spectra in the solid state and NMR spectra in solution. The υN-Cl frequencies vary in the range 950 - 927 cm-1. Effects of substitution in the benzene ring in terms of electron donating and electron withdrawing groups have been considered, and conclusions drawn. The chemical shifts of aromatic protons and carbon-13 in all the N-chloroarylsulphonamides have been calculated by adding substituent contributions to the shift of benzene. Considering the approximation employed the agreement between the calculated and experimental chemical shift values for different protons or carbon-13 is quite good. Effects of phenyl ring substitution on chemical shift values of both 1H and 13C are also graphically represented in terms of line diagrams.

  20. Quinolone-1-(2H)-ones as hedgehog signalling pathway inhibitors.

    Science.gov (United States)

    Trinh, Trieu N; McLaughlin, Eileen A; Abdel-Hamid, Mohammed K; Gordon, Christopher P; Bernstein, Ilana R; Pye, Victoria; Cossar, Peter; Sakoff, Jennette A; McCluskey, Adam

    2016-07-14

    A series of quinolone-2-(1H)-ones derived from the Ugi-Knoevenagel three- and four-component reaction were prepared exhibiting low micromolar cytotoxicity against a panel of eight human cancer cell lines known to possess the Hedgehog Signalling Pathway (HSP) components, as well as the seminoma TCAM-2 cell line. A focused SAR study was conducted and revealed core characteristics of the quinolone-2-(1H)-ones required for cytotoxicity. These requirements included a C3-tethered indole moiety, an indole C5-methyl moiety, an aliphatic tail or an ester, as well as an additional aromatic moiety. Further investigation in the SAG-activated Shh-LIGHT2 cell line with the most active analogues: 2-(3-cyano-2-oxo-4-phenylquinolin-1(2H)-yl)-2-(1-methyl-1H-indol-3-yl)-N-(pentan-2-yl)acetamide (5), 2-(3-cyano-2-oxo-4-phenylquinolin-1(2H)-yl)-2-(5-methyl-1H-indol-3-yl)-N-(pentan-2-yl)acetamide (23) and ethyl (2-(3-cyano-2-oxo-4-phenylquinolin-1(2H)-yl)-2-(5-methyl-1H-indol-3-yl)acetyl)glycinate (24) demonstrated a down regulation of the HSP via a reduction in Gli expression, and in the mRNA levels of Ptch1 and Gli2. Analogues 5, 23 and 24 returned in cell inhibition values of 11.6, 2.9 and 3.1 μM, respectively, making this new HSP-inhibitor pharmacophore amongst the most potent non-Smo targeted inhibitors thus far reported. PMID:27272335

  1. Temperature dependence of third order ion molecule reactions. The reaction H+3 + 2H2 = H+5 + H2

    International Nuclear Information System (INIS)

    The rate constants k1 for Reaction (1): H+3+2H2 = H+5+H2 were measured in the temperature range 100--300 degreeK. The temperature dependence of k1 has the form k1proportionalT-/subn/, where n=2.3. Pierce and Porter have reported a much stronger negative temperature dependence with n=4.6. The difference arises from a determination of k1 at 300 degreeK obtained by Arifov and used by Porter. The present k1 (300 degreeK) =9times10-30 (cm6 molecules-2center-dotsec-1). This is more than an order of magnitude larger than the Arifov value. The temperature dependence of third body dependent association reactions like (1) is examined on the basis of the energy transfer theory and the recently proposed trimolecular complex transition state theory by Meot-Ner, Solomon, Field, and Gershinowitz. The temperature dependence of the rate constant for the reverse reaction (-1) is obtained from k1 and the previously determined temperature dependence of the equilibria (1). k/sub -//sub 1/ gives a good straight line Arrhenius plot leading to k/sub -//sub 1/ =8.7times10-6 exp(-8.4/RT) cm3 molecules-1center-dotsec-1. The activation energy is in kcal/mole. The preexponential factor is much larger than the rate constant for Langevin collisions. This is typical for pyrolysis of ions involving second order activation

  2. Catalytic synthesis of 5-ethoxycarbonyl-4-(4-hydroxyphenyl)-6-methyl-3,4-dihydropyrimidine-2(1H)-ketone with H6P2W18O62/SiO2%H6P2W18O62/SiO2催化合成5-乙氧羰基-4-(4-羟基苯基)-6-甲基-3,4-二氢嘧啶-2(1H)-酮

    Institute of Scientific and Technical Information of China (English)

    刘晓霞; 肖欢; 杨水金

    2015-01-01

    5-Ethoxycarbonyl-4-(4-hydroxyphenyl)-6-methyl-3,4-dihydropyrimidine-2(1H)-ketone was synthesized by using H6P2W18O62/SiO2 as the catalyst and p-hydroxy benzaldehyde,ethyl acetoacetate and urea as raw materials. Catalytic activity of this reaction using H6P2W18O62/SiO2 as the catalyst was explored. The effects of reaction on the yield of the product were investigated and the optimum conditions were determined as follows:fixing p-hydroxy benzaldehyde consumption is 0.04 mol,n(p-hydroxy benzaldehyde):n(ethyl acetoacetate):n(urea)=1∶1.5∶1.5,the mass ratio of the catalyst to total reactant is 1.5%,the reaction temperature is 80℃, and the reaction time is 1.0 h. The yield of the product was up to 94.4%.%采用H6P2W18O62/SiO2为催化剂,以对羟基苯甲醛、乙酰乙酸乙酯、尿素为原料合成5-乙氧羰基-4-(4-羟基苯基)-6-甲基-3,4-二氢嘧啶-2(1H)-酮.探讨H6P2W18O62/SiO2对本反应的催化活性,较系统地研究了反应物物质的量比、催化剂用量、反应时间、反应温度四因素对产物收率的影响.实验表明:H6P2W18O62/SiO2是合成5-乙氧羰基-4-(4-羟基苯基)-6-甲基-3,4-二氢嘧啶-2(1H)-酮的良好催化剂;在n (对羟基苯甲醛)∶n (乙酰乙酸乙酯)∶n (尿素)=1∶1.5∶1.5,催化剂的用量占反应物料总质量的1.5%,反应温度为80℃,反应时间为60 min的最佳条件下,其收率可达94.4%.

  3. Crystalline 1H-1,2,3-triazol-5-ylidenes

    Energy Technology Data Exchange (ETDEWEB)

    Bertrand, Guy; Gulsado-Barrios, Gregorio; Bouffard, Jean; Donnadieu, Bruno

    2016-08-02

    The present invention provides novel and stable crystalline 1H-1,2,3 triazolium carbenes and metal complexes of 1H-1,2,3 triazolium carbenes. The present invention also provides methods of making 1H-1,2,3 triazolium carbenes and metal complexes of 1H-1,2,3 triazolium carbenes. The present invention also provides methods of using 1H-1,2,3 triazolium carbenes and metal complexes of 1H-1,2,3 triazolium carbenes in catalytic reactions.

  4. Copper-catalysed asymmetric allylic alkylation of alkylzirconocenes to racemic 3,6-dihydro-2H-pyrans

    Science.gov (United States)

    Rideau, Emeline

    2015-01-01

    Summary Asymmetric allylic alkylation is a powerful reaction that allows the enantioselective formation of C–C bonds. Here we describe the asymmetric alkylation of alkylzirconium species to racemic 3,6-dihydro-2H-pyrans. Two systems were examined: 3-chloro-3,6-dihydro-2H-pyran using linear optimization (45–93% ee, up to 33% yield, 5 examples) and 3,6-dihydro-2H-pyran-3-yl diethyl phosphate with the assistance of a design of experiments statistical approach (83% ee, 12% yield). 1H NMR spectroscopy was used to gain insight into the reaction mechanisms. PMID:26734091

  5. The structure and properties of 5,6-dinitro-1H-benzotriazole

    Science.gov (United States)

    Santa María, Dolores; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Alkorta, Ibon; Elguero, José

    2016-06-01

    5,6-Dinitro-1H-benzotriazole crystallizes in the monoclinic system, space group P21/c. The asymmetric unit contains the planar 1H-tautomer together with a water molecule of crystallization. Each water molecule is hydrogen bonded to three adjacent 5,6-dinitrobenzotriazoles forming a tape along the b-axis of the crystal. These tapes stack along the c-axis through hydrogen bonds involving the water molecules and one of the nitro groups leading to a bidimensional structure. Solid-state 13C and 15N CPMAS NMR allow to confirm that the tautomer present is the 1H one. In DMSO-d6 solution the results are quite different and, based on GIAO/B3LYP/6-311++G(d,p) calculations, lead us to conclude that the major tautomer is the 5,6-dinitro-2H-benzotriazole, a surprising result that contradicts the rule that the major tautomer in solution coincides with the one present in the crystal. An anhydrous pseudopolymorph of 5,6-dinitro-1H-benzotriazole has been obtained as a non-crystalline form and from solid-state NMR and theoretical calculations, we conclude that it is an 1H-tautomer.

  6. Chromosome Microarray.

    Science.gov (United States)

    Anderson, Sharon

    2016-01-01

    Over the last half century, knowledge about genetics, genetic testing, and its complexity has flourished. Completion of the Human Genome Project provided a foundation upon which the accuracy of genetics, genomics, and integration of bioinformatics knowledge and testing has grown exponentially. What is lagging, however, are efforts to reach and engage nurses about this rapidly changing field. The purpose of this article is to familiarize nurses with several frequently ordered genetic tests including chromosomes and fluorescence in situ hybridization followed by a comprehensive review of chromosome microarray. It shares the complexity of microarray including how testing is performed and results analyzed. A case report demonstrates how this technology is applied in clinical practice and reveals benefits and limitations of this scientific and bioinformatics genetic technology. Clinical implications for maternal-child nurses across practice levels are discussed. PMID:27276104

  7. Gene Content and Virtual Gene Order of Barley Chromosome 1H1,[C],[W],[OA

    Czech Academy of Sciences Publication Activity Database

    Mayer, K. F. X.; Taudien, S.; Martis, M.; Šimková, Hana; Suchánková, Pavla; Gundlach, H.; Wicker, T.; Petzold, A.; Felder, M.; Steuernagel, B.; Scholz, U.; Graner, A.; Platzer, M.; Doležel, Jaroslav; Stein, N.

    2009-01-01

    Roč. 151, č. 2 (2009), s. 496-505. ISSN 0032-0889 R&D Projects: GA MŠk(CZ) LC06004 Institutional research plan: CEZ:AV0Z50380511 Keywords : WHOLE-GENOME AMPLIFICATION * RICE GENOME * DNA Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 6.235, year: 2009

  8. {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions at sub-coulomb energies

    Energy Technology Data Exchange (ETDEWEB)

    Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Sparta, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Universita degli Studi di Enna Kore, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Cyclotron Institute Texas A and M University - College Station, Texas (United States); Excellence Cluster Universe - Technische Universitaet Muenchen, Garching, Germany and GSI Helmholtzzentrum fuer Schwerionenforschung GmbH - Theorie Darmstadt (Germany); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); School of Physics and Astronomy - University of Edinburgh, SUPA (United Kingdom); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy)

    2012-11-20

    The {sup 2}H({sup 3}He,p{sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n{sup 3}He){sup 1}H processes have been measured in quasi free kinematics to investigate for the first time the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions by means of the Trojan Horse Method. The {sup 3}He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4{+-}1.8 MeVb for {sup 3}H+p and 60.1{+-}1.9 MeVb for {sup 3}He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

  9. 5,6-Dihydro-4-methoxy-2H-pyran-2-one, a new mycotoxin from Penicillium italicum

    International Nuclear Information System (INIS)

    The structure of 5,6-dihydro-4-methoxy-2H-pyran-2-one, a mycotoxin produced by Penicillium italicum, has been determined by spectroscopic methods. The 1H and 13C n.m.r. spectra are consistent with the assigned structure

  10. Predictability of 1-h postload plasma glucose concentration: A 10-year retrospective cohort study

    Science.gov (United States)

    Kuang, Lifen; Huang, Zhimin; Hong, Zhenzhen; Chen, Ailing; Li, Yanbing

    2015-01-01

    Aims/Introduction Elevated 1-h postload plasma glucose concentration (1hPG) during oral glucose tolerance test has been linked to an increased risk of type 2 diabetes and a poorer cardiometabolic risk profile. The present study analyzed the predictability and cut-off point of 1hPG in predicting type 2 diabetes in normal glucose regulation (NGR) subjects, and evaluated the long-term prognosis of NGR subjects with elevated 1hPG in glucose metabolism, kidney function, metabolic states and atherosclerosis. Materials and Methods A total of 116 Han Chinese classified as NGR in 2002 at the First Affiliated Hospital of Sun Yat-sen University, Guangzhou, Guangdong, China, were investigated. Follow-up was carried out in 2012 to evaluate the progression of glucose metabolism, kidney function, metabolic syndrome and carotid atherosclerosis. Results The areas under receiver operating characteristic curves were higher for 1hPG than FPG or 2hPG (0.858 vs 0.806 vs 0.746). The cut-off value of 1hPG with the maximal sum of sensitivity and specificity in predicting type 2 diabetes in NGR subjects was 8.85 mmol/L. The accumulative incidence of type 2 diabetes in subjects with 1hPG ≥8.85 mmol/L was higher than those <8.85 mmol/L (46.2% vs 3.3%, P = 0.000; relative risk 13.846, 95% confidence interval 4.223–45.400). On follow up, the prevalence of metabolic syndrome and abnormal carotid intima-media thickness in the subjects with 1hPG ≥8.85 mmol/L tended to be higher compared with those <8.85 mmol/L. Conclusions 1hPG is a good predictor of type 2 diabetes in NGR subjects, and the best cut-off point is 8.85 mmol/L. Some tendency indicates that NGR subjects with 1hPG ≥8.85 mmol/L are more prone to metabolic syndrome and carotid atherosclerosis. PMID:26543538

  11. 5-Amino-1H-1,2,4-triazol-4-ium hydrogen oxalate

    Directory of Open Access Journals (Sweden)

    Mohamed Rzaigui

    2013-08-01

    Full Text Available In the title salt, C2H5N4+·C2HO4−, the hydrogen oxalate anions form corrugated chains parallel to the c axis, linked by intermolecular O—H...O hydrogen bonds. The 5-amino-1H-1,2,4-triazol-4-ium cations are connected into centrosymmetric clusters via weak C—H...N hydrogen bonds forming nine-membered rings with an R33(9 motif. These clusters are interconnected via anions through N—H...O hydrogen bonds, building a three-dimensional network.

  12. 4-Amino-1H-1,2,4-triazol-1-ium nitrate

    Directory of Open Access Journals (Sweden)

    Ivan Němec

    2011-01-01

    Full Text Available The non-centrosymmetric crystal structure of the novel semi-organic title compound, C2H5N4+·NO3−, is based on alternating layers of 4-amino-1H-1,2,4-triazolinium cations (formed by parallel chains of cations mediated by weak C—H...N hydrogen bonds and nitrate anions interconnected via linear and bifurcated N—H...O hydrogen bonds and weak C—H...O hydrogen bonds. N—H...N hydrogen bonds link the anions and cations.

  13. Evaluation of a 1-h 75-g oral glucose tolerance test in the diagnosis of gestational diabetes

    Directory of Open Access Journals (Sweden)

    M.A.A. Campos

    2008-08-01

    Full Text Available In order to evaluate the performance of a 1-h 75-g oral glucose tolerance test (OGTT for the diagnosis of gestational diabetes mellitus (GDM, a cohort of 4998 women, 20 years or older, without previous diabetes being treated in prenatal care clinics in Brazil answered a questionnaire and performed a 75-g OGTT including fasting, 1-h and 2-h glucose measurements between their 24th and 28th gestational weeks. Pregnancy outcomes were transcribed from medical registries. GDM was defined according to WHO criteria (fasting: ≥126 mg/dL; 2-h value: ≥140 mg/dL and macrosomia as a birth weight equal to or higher than 4000 g. Areas under the receiver operator characteristic curve (AUC were compared and diagnostic properties of various cut-off points were evaluated. The AUCs for the prediction of macrosomia were 0.606 (0.572-0.637 for the 1-h and 0.589 (0.557-0.622 for the 2-h plasma glucose test. Similar predictability was demonstrable regarding combined adverse outcomes: 0.582 (0.559-0.604 for the 1-h test and 0.572 (0.549-0.595 for the 2-h test. When the 1-h glucose test was evaluated against a diagnosis of GDM defined by the 2-h glucose test, the AUC was 0.903 (0.886-0.919. The cut-off point that maximized sensitivity (83% and specificity (83% was 141 mg/dL, identifying 21% of the women as positive. A cut-off point of 160 mg/dL, with lower sensitivity (62%, had higher specificity (94%, labeling 8.6% as positive. Detection of GDM can be done with a 1-h 75-g OGTT: the value of 160 mg/dL has the same diagnostic performance as the conventional 2-h value (140 mg/dL. The simplification of the test may improve coverage and timing of the diagnosis of GDM.

  14. Analysis list: NR1H3 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available NR1H3 Adipocyte,Blood + hg19 http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/target.../NR1H3.1.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/target/NR1H3.5.tsv http://dbarchive.bioscienced...bc.jp/kyushu-u/hg19/target/NR1H3.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/NR1H3.Adipocyte....tsv,http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/NR1H3.Blood.tsv http://dbarchive.bioscience...dbc.jp/kyushu-u/hg19/colo/Adipocyte.gml,http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/Blood.gml ...

  15. Transcriptional Silencing in the Imprinted Igf2-H19 Loci: The Mystique of Epigenetics

    OpenAIRE

    Ginjala, Vasudeva

    2002-01-01

    Genomic imprinting marks a subset of autosomal loci expressed in parent of origin-dependent monoallelic expression in a non-Mendelian fashion. To restore totipotency and to reset the imprint according to the sex of the individual, the mark must be erased during germline development. The imprinted Igf2-H19 loci located distally on chromosome 7 in mouse and 11p15.5 in human, share common regulatory elements that regulate differential expression. Where the H19 is silenced when paternally inherit...

  16. Synthesis of (2R,S)-[2-2H] and [2,3-2H] tryptophan

    International Nuclear Information System (INIS)

    α-Deuterated tryptophan was prepared either by exchange of the α-hydrogen of tryptophan or by hydrolysis and decarboxylation of ethyl 2-formamido-2-carbethoxy-3-indole propionate, followed by treatment with CH3COO2H. α,β-dideuterated tryptophan was in turn synthetized from ethyl-α-acetamido-indole-3-acrylate, by catalytic deuteration (2H2/Pd-C) and alkaline hydrolysis (NaO2H/2H2O). (author)

  17. 3-(3,4-Dihydroxyphenyl-8-hydroxy-2H-chromen-2-one

    Directory of Open Access Journals (Sweden)

    Ivan Svinyarov

    2015-10-01

    Full Text Available We report a novel protocol for the synthesis of 3-(3,4-dihydroxyphenyl-8-hydroxy-2H-chromen-2-one via demethylation/delactonization/elimination/lactonization/ decarboxylation domino reaction sequence of diastereomeric mixture of cis- and trans-3-(2,3-dimethoxyphenyl-6,7-dimethoxy-1-oxoisochroman-4-carboxylic acids in boiling HBr/AcOH. The structure of the target compound was established for the first time by means of spectral methods such as 1H-, 13C-, DEPT-135-NMR, IR and HRMS.

  18. Protein 2D NMR analysis utilizing selective 2H and 13C enrichment

    International Nuclear Information System (INIS)

    E. coli thioredoxin has been prepared with specific residue types substituted with fully enriched 2H or 13C labeled amino acids. In 1H COSY and NOESY experiments cross peaks result from pairs of protons interacting via through-bond or through-space coupling respectively. A cross peak is eliminated if either nucleus is substituted with deuterium. Direct residue type assignments of cross peaks have been obtained by comparing data from protein samples with one residue type deuterated and data from a non-enriched sample. Selective deuteration is particularly useful for the interresidue connectivity assignments obtained by NOESY experiments which normally depend on residue type assignment information obtained from independent COSY data. Difficulties in 1H COSY type intraresidue connectivity assignments are the main reason that successful analyses generally have been limited to proteins less than 10 kilodaltons. The authors have collected 13C homonuclear COSY data which compared to the 1H experiment benefit from larger spin couplings as well as from the spectral simplification obtained by enrichment. Resolved cross peaks for the 13C-13C J1 couplings are readily observed with 30 mg of labeled protein. 1H-13C heteronuclear COSY experiments then provide an independent method of intraresidue proton spin connectivity assignments

  19. 4-Bromo-3-methoxy-1-phenyl-1H-pyrazole

    Directory of Open Access Journals (Sweden)

    Algirdas Šačkus

    2009-11-01

    Full Text Available The title compound was prepared by treatment of 4-bromo-1-phenyl-1H-pyrazol-3-ol with sodium hydride/methyl iodide in good yield. Detailed spectroscopic data (1H NMR, 13C NMR, 15N NMR, IR, MS are presented.

  20. Quantitation of methadone enantiomers in humans using stable isotope-labeled (2H3)-, (2H5)-, and (2H8)Methadone

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, K.; Hachey, D.L.; Kreek, M.J.; Irving, C.S.; Klein, P.D.

    1982-01-01

    A new technique for simultaneous stereoselective kinetic studies of methadone enantiomers was developed using three deuterium-labeled forms of methadone and GLC-chemical-ionization mass spectrometry. A racemic mixture (1:1) of (R)-(-)-(2H5)methadone (l-form) and (S)-(R)-(2H3)methadone (d-form) was administered orally in place of a single daily dose of unlabeled (+/-)-(2H0)methadone in long-term maintenance patients. Racemic (+/-)-(2H8)methadone was used as an internal standard for the simultaneous quantitation of (2H0)-, (2H3)-, and (2H5)methadone in plasma and urine. A newly developed extraction procedure, using a short, disposable C18 reversed-phase cartridge and improved chemical-ionization procedures employing ammonia gas, resulted in significant reduction of the background impurities contributing to the ions used for isotopic abundance measurements. These improvements enabled the measurement of labeled plasma methadone levels for 120 hr following a single dose. This methodology was applied to the study of methadone kinetics in two patients; in both patients, the analgesically active l-enantiomer of the drug had a longer plasma elimination half-life and a smaller area under the plasma disappearance curve than did the inactive d-form.

  1. Quantitation of methadone enantiomers in humans using stable isotope-labeled [2H3]-, [2H5]-, and [2H8]Methadone

    International Nuclear Information System (INIS)

    A new technique for simultaneous stereoselective kinetic studies of methadone enantiomers was developed using three deuterium-labeled forms of methadone and GLC-chemical-ionization mass spectrometry. A racemic mixture (1:1) of (R)-(-)-[2H5]methadone (l-form) and (S)-(R)-[2H3]methadone (d-form) was administered orally in place of a single daily dose of unlabeled (+/-)-[2H0]methadone in long-term maintenance patients. Racemic (+/-)-[2H8]methadone was used as an internal standard for the simultaneous quantitation of [2H0]-, [2H3]-, and [2H5]methadone in plasma and urine. A newly developed extraction procedure, using a short, disposable C18 reversed-phase cartridge and improved chemical-ionization procedures employing ammonia gas, resulted in significant reduction of the background impurities contributing to the ions used for isotopic abundance measurements. These improvements enabled the measurement of labeled plasma methadone levels for 120 hr following a single dose. This methodology was applied to the study of methadone kinetics in two patients; in both patients, the analgesically active l-enantiomer of the drug had a longer plasma elimination half-life and a smaller area under the plasma disappearance curve than did the inactive d-form

  2. Mitotic chromosome structure

    International Nuclear Information System (INIS)

    Mounting evidence is compiling linking the physical organizational structure of chromosomes and the nuclear structure to biological function. At the base of the physical organizational structure of both is the concept of loop formation. This implies that physical proximity within chromosomes is provided for otherwise distal genomic regions and thus hierarchically organizing the chromosomes. Together with entropy many experimental observations can be explained with these two concepts. Among the observations that can be explained are the measured physical extent of the chromosomes, their shape, mechanical behavior, the segregation into territories (chromosomal and territories within chromosomes), the results from chromosome conformation capture experiments, as well as linking gene expression to structural organization.

  3. Relationship between C2H2 reduction, H2 evolution and 15N2 fixation in root nodules of pea (Pisum sativum)

    DEFF Research Database (Denmark)

    Skøt, Leif

    1983-01-01

    after planting. After correction for H2 evolution in air, the factor (C2H2-H2)/N2 decreased to values near the theoretical value 3, or in one case to a value significantly (P <0.05) below 3. The proportion of the total electron flow through nitrogenase, which is not wasted in H2 production but used for...... N2 reduction, is often stated as the relative efficiency (1-H2/C2H2). This factor varied significantly (P <0.05) during the growth period. The actual allocation of electrons to H2 and N2, expressed as the H2/N2 ratio, was independent of plant age, however. This discrepancy and the observation that...... the (C2H2-H2)/N2 conversion factor tended to be lower than 3, suggests that the C2H2reduction assay underestimates the total electron flow through nitrogenase....

  4. The electrodisintegration of 3He studied with the 3He(e,e'p)2H and 3He(e,e'd)1H reactions

    International Nuclear Information System (INIS)

    The author presents a survey of experimental and theoretical results for the ground-state properties of 3He. The formalism of the (e,e'p) and (e,e'd) reactions is presented. A short description of the instrumentation, in particular those elements which are typical for the present study, and of the data analysis is given. This includes a description of the elements required in the 'recoil detection' technique. The kinematics of the experiments and the results are presented. The results are discussed and compared with calculations. (Auth.)

  5. 4-[(E-(2,4,5-Trimethoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2010-07-01

    Full Text Available The title compound, C21H23N3O4, adopts an E configuration about the central C=N double bond and the pyrazolone ring is almost planar, with a maximum deviation of 0.042 (1 Å. The central pyrazolone ring makes dihedral angles of 51.96 (5 and 3.82 (5° with the attached phenyl and the trimethoxy-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the trimethoxy-substituted benzene ring is 50.19 (5° and an intramolecular C—H...O hydrogen bond generates an S(6 ring motif. The crystal structure is stabilized by intermolecular C—H...O and C—H...N hydrogen bonds.

  6. 4-{(E-[2-(4-Iodobutoxybenzylidene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2010-07-01

    Full Text Available The title Schiff base compound, C22H24IN3O2, adopts an E configuration about the central C=N bond. The pyrazolone ring makes a dihedral angle of 49.68 (10° with its attached phenyl ring. The phenolate plane makes dihedral angles of 16.78 (9 and 50.54 (9°, respectively, with the pyrazolone ring and the terminal phenyl ring. An intramolecular C—H...O hydrogen bond generates an S(6 ring motif. In the crystal structure, an intermolecular C—H...O hydrogen bond is also observed.

  7. Spin density matrix elements in exclusive $\\omega$ electroproduction on $^1$H and $^2$H targets at 27.5 GeV beam energy

    CERN Document Server

    Airapetian, A; Akopov, Z; Augustyniak, W; Avetissian, A; Blok, H P; Borissov, A; Bryzgalov, V; Capiluppi, M; Capitani, G P; Cisbani, E; Ciullo, G; Contalbrigo, M; Dalpiaz, P F; Deconinck, W; De Leo, R; De Sanctis, E; Diefenthaler, M; Di Nezza, P; Düren, M; Ehrenfried, M; Elbakian, G; Ellinghaus, F; Etzelmüller, E; Fabbri, R; Felawka, L; Frullani, S; Gabbert, D; Gapienko, G; Gapienko, V; Garibaldi, F; Gavrilov, G; Gharibyan, V; Hartig, M; Hasch, D; Holler, Y; Hristova, I; Ivanilov, A; Jackson, H E; Joosten, S; Kaiser, R; Karyan, G; Keri, T; Kinney, E; Kisselev, A; Korotkov, V; Kozlov, V; Kravchenko, P; Krivokhijine, V G; Lagamba, L; Lapikás, L; Lehmann, I; Lenisa, P; Lorenzon, W; Ma, B -Q; Mahon, D; Manaenkov, S I; Mao, Y; Marianski, B; Marukyan, H; Movsisyan, A; Murray, M; Naryshkin, Y; Nass, A; Nowak, W -D; Pappalardo, L L; Perez-Benito, R; Petrosyan, A; Reimer, P E; Reolon, A R; Riedl, C; Rith, K; Rostomyan, A; Ryckbosch, D; Schäfer, A; Schnell, G; Schüler, K P; Seitz, B; Shibata, T -A; Stahl, M; Stancari, M; Statera, M; Steffens, E; Steijger, J J M; Taroian, S; Terkulov, A; Truty, R; Trzcinski, A; Tytgat, M; Van Haarlem, Y; Van Hulse, C; Vikhrov, V; Vilardi, I; Wang, S; Yaschenko, S; Yen, S; Zeiler, D; Zihlmann, B; Zupranski, P

    2014-01-01

    Exclusive electroproduction of $\\omega$ mesons on unpolarized hydrogen and deuterium targets is studied in the kinematic region of Q$^2$>1.0 GeV$^2$, 3.0 GeV < W < 6.3 GeV, and -t'< 0.2 GeV$^2$. Results on the angular distribution of the $\\omega$ meson, including its decay products, are presented. The data were accumulated with the HERMES forward spectrometer during the 1996-2007 running period using the 27.6 GeV longitudinally polarized electron or positron beam of HERA. The determination of the virtual-photon longitudinal-to-transverse cross-section ratio reveals that a considerable part of the cross section arises from transversely polarized photons. Spin density matrix elements are presented in projections of Q$^2$ or -t'. Violation of s-channel helicity conservation is observed for some of these elements. A sizable contribution from unnatural-parity-exchange amplitudes is found and the phase shift between those amplitudes that describe transverse $\\omega$ production by longitudinal and transvers...

  8. Spin density matrix elements in exclusive ω electroproduction on {sup 1}H and {sup 2}H targets at 27.5 GeV beam energy

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [Justus-Liebig Universitaet Giessen, II. Physikalisches Institut, Giessen (Germany); University of Michigan, Randall Laboratory of Physics, Ann Arbor, MI (United States); Akopov, N.; Avetissian, A.; Elbakian, G.; Gharibyan, V.; Karyan, G.; Marukyan, H.; Petrosyan, A.; Taroian, S. [Yerevan Physics Institute, Yerevan (Armenia); Akopov, Z.; Borissov, A.; Deconinck, W.; Hartig, M.; Holler, Y.; Rostomyan, A.; Schueler, K.P.; Zihlmann, B. [DESY, Hamburg (Germany); Augustyniak, W.; Marianski, B.; Trzcinski, A.; Zupranski, P. [National Centre for Nuclear Research, Warsaw (Poland); Blok, H.P. [National Institute for Subatomic Physics (Nikhef), Amsterdam (Netherlands); VU University, Department of Physics and Astronomy, Amsterdam (Netherlands); Bryzgalov, V.; Gapienko, G.; Gapienko, V.; Ivanilov, A.; Korotkov, V. [Institute for High Energy Physics, Protvino, Moscow Region (Russian Federation); Capiluppi, M.; Ciullo, G.; Dalpiaz, P.F.; Lenisa, P.; Pappalardo, L.L.; Stancari, M.; Statera, M. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (Italy); Universita di Ferrara, Dipartimento di Fisica e Scienze della Terra, Ferrara (Italy); Capitani, G.P.; De Sanctis, E.; Di Nezza, P.; Hasch, D.; Reolon, A.R. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, Frascati (Italy); Cisbani, E.; Frullani, S.; Garibaldi, F. [Istituto Nazionale di Fisica Nucleare, Sezione di Roma, Gruppo Collegato Sanita, Rome (Italy); Istituto Superiore di Sanita, Roma (Italy); Contalbrigo, M. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (Italy); De Leo, R.; Lagamba, L.; Vilardi, I. [Istituto Nazionale di Fisica Nucleare, Sezione di Bari, Bari (Italy); Diefenthaler, M. [Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (Germany); University of Illinois, Department of Physics, Urbana, IL (United States); Dueren, M.; Ehrenfried, M.; Etzelmueller, E.; Keri, T.; Perez-Benito, R.; Stahl, M. [Justus-Liebig Universitaet Giessen, II. Physikalisches Institut, Giessen (Germany); Ellinghaus, F.; Kinney, E. [University of Colorado, Nuclear Physics Laboratory, Boulder, CO (United States); Fabbri, R.; Gabbert, D.; Hristova, I.; Nowak, W.D. [DESY, Zeuthen (Germany); Felawka, L.; Yen, S. [TRIUMF, Vancouver, BC (Canada); Gavrilov, G. [DESY, Hamburg (Germany); B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad Region (Russian Federation); TRIUMF, Vancouver, BC (Canada); Jackson, H.E.; Reimer, P.E. [Argonne National Laboratory, Physics Division, Argonne, IL (United States); Joosten, S. [Ghent University, Department of Physics and Astronomy, Gent (Belgium); University of Illinois, Department of Physics, Urbana, IL (United States); Kaiser, R.; Lehmann, I.; Mahon, D.; Murray, M.; Seitz, B. [University of Glasgow, SUPA, School of Physics and Astronomy, Glasgow (United Kingdom); Kisselev, A.; Kravchenko, P.; Manaenkov, S.I.; Naryshkin, Y.; Vikhrov, V. [B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad Region (Russian Federation); Kozlov, V.; Terkulov, A. [Lebedev Physical Institute, Moscow (Russian Federation); Krivokhijine, V.G. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Lapikas, L.; Steijger, J.J.M. [National Institute for Subatomic Physics (Nikhef), Amsterdam (NL); Lorenzon, W. [University of Michigan, Randall Laboratory of Physics, Ann Arbor, MI (US); Ma, B.Q.; Mao, Y.; Wang, S. [Peking University, School of Physics, Beijing (CN); Movsisyan, A. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (IT); Yerevan Physics Institute, Yerevan (AM); Nass, A.; Rith, K.; Steffens, E.; Zeiler, D. [Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (DE); Riedl, C. [DESY, Zeuthen (DE); University of Illinois, Department of Physics, Urbana, IL (US); Ryckbosch, D.; Tytgat, M.; Haarlem, Y. van [Ghent University, Department of Physics and Astronomy, Gent (BE); Schaefer, A. [Universitaet Regensburg, Institut fuer Theoretische Physik, Regensburg (DE); Schnell, G. [University of the Basque Country UPV/EHU, Department of Theoretical Physics, Bilbao (ES); Ghent University, Department of Physics and Astronomy, Gent (BE); IKERBASQUE, Basque Foundation for Science, Bilbao (ES)

    2014-11-15

    Exclusive electroproduction of ω mesons on unpolarized hydrogen and deuterium targets is studied in the kinematic region of Q{sup 2} > 1.0 GeV{sup 2}, 3.0 GeV < W < 6.3 GeV, and -t' < 0.2 GeV{sup 2}. Results on the angular distribution of the ω meson, including its decay products, are presented. The data were accumulated with the HERMES forward spectrometer during the 1996-2007 running period using the 27.6 GeV longitudinally polarized electron or positron beam of HERA. The determination of the virtual-photon longitudinal-to-transverse cross-section ratio reveals that a considerable part of the cross section arises from transversely polarized photons. Spin density matrix elements are presented in projections of Q{sup 2} or -t'. Violation of s-channel helicity conservation is observed for some of these elements. A sizable contribution from unnatural-parity-exchange amplitudes is found and the phase shift between those amplitudes that describe transverse ω production by longitudinal and transverse virtual photons, γ{sub L}{sup *} → ω{sub T} and γ{sub T}{sup *} → ω{sub T}, is determined for the first time. A hierarchy of helicity amplitudes is established, which mainly means that the unnatural-parity-exchange amplitude describing the γ{sub T}{sup *} → ω{sub T} transition dominates over the two natural-parityexchange amplitudes describing the γ{sub L}{sup *} → ω{sub L} and γ{sub T}{sup *} → ω{sub T} transitions, with the latter two being of similar magnitude. Good agreement is found between the HERMES proton data and results of a pQCD-inspired phenomenological model that includes pion-pole contributions, which are of unnatural parity. (orig.)

  9. Spin density matrix elements in exclusive ω electroproduction on {sup 1}H and {sup 2}H targets at 27.5 GeV beam energy

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [Giessen Univ. (Germany). II. Physikalisches Inst.; Michigan Univ., Ann Arbor, MI (United States). Randall Lab. of Physics; Akopov, N. [Yerevan Physics Inst., Yerevan (Armenia); Akopov, Z. [DESY, Hamburg (Germany); Collaboration: The HERMES Collaboration; and others

    2014-07-15

    Exclusive electroproduction of ω mesons on unpolarized hydrogen and deuterium targets is studied in the kinematic region of Q{sup 2} >1.0 GeV{sup 2}, 3.0 GeV

  10. 4-[(1-Benzyl-1H-1,2,3-triazol-4-ylmethyl]-2H-1,4-benzothiazin-3(4H-one

    Directory of Open Access Journals (Sweden)

    Nada Kheira Sebbar

    2014-02-01

    Full Text Available In the title compound, C18H16N4OS, the six-membered heterocycle of the benzothiazine fragment exhibits a screw-boat conformation. The dihedral angles between the plane through the triazole ring and those through the fused and terminal benzene rings are 76.68 (11 and 71.0 (1°, respectively; the benzene rings are nearly perpendicular [dihedral angle = 79.6 (1°]. In the crystal, molecules are linked by C—H...N and C—H...O interactions, forming a three-dimensional network.

  11. A new electronic structure method for doublet states: configuration interaction in the space of ionized 1h and 2h1p determinants.

    Science.gov (United States)

    Golubeva, Anna A; Pieniazek, Piotr A; Krylov, Anna I

    2009-03-28

    An implementation of gradient and energy calculations for configuration interaction variant of equation-of-motion coupled cluster with single and double substitutions for ionization potentials (EOM-IP-CCSD) is reported. The method (termed IP-CISD) treats the ground and excited doublet electronic states of an N-electron system as ionizing excitations from a closed-shell N+1-electron reference state. The method is naturally spin adapted, variational, and size intensive. The computational scaling is N(5), in contrast with the N(6) scaling of EOM-IP-CCSD. The performance and capabilities of the new approach are demonstrated by application to the uracil cation and water and benzene dimer cations by benchmarking IP-CISD against more accurate IP-CCSD. The equilibrium geometries, especially relative differences between different ionized states, are well reproduced. The average absolute errors and the standard deviations averaged for all bond lengths in all electronic states (58 values in total) are 0.014 and 0.007 A, respectively. IP-CISD systematically underestimates intramolecular distances and overestimates intermolecular ones, because of the underlying uncorrelated Hartree-Fock reference wave function. The IP-CISD excitation energies of the cations are of a semiquantitative value only, showing maximum errors of 0.35 eV relative to EOM-IP-CCSD. Trends in properties such as dipole moments, transition dipoles, and charge distributions are well reproduced by IP-CISD. PMID:19334814

  12. (2E-2-[(2H-1,3-Benzodioxol-5-ylmethylidene]-2,3-dihydro-1H-inden-1-one

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2012-04-01

    Full Text Available In the title compound, C17H12O3, each of the five-membered rings in the inden-1-one and 1,3-benzodioxole residues is almost planar (r.m.s. deviations = 0.041 and 0.033 Å, respectively. A small twist about the single bond linking the two residues is evident [the C—C—C—C torsion angle = 8.7 (4°]. Supramolecular zigzag layers propagating in the ac plane are formed in the crystal via C—H...O interactions. The layers are linked via π–π interactions between the five- and six-membered rings of 1,3-benzodioxole residues [centroid–centroid distance = 3.4977 (14 Å].

  13. Gas-phase fragmentation of peptides by MALDI in-source decay with limited amide hydrogen (1H/2H) scrambling

    DEFF Research Database (Denmark)

    Bache, Nicolai; Rand, Kasper D; Roepstorff, Peter;

    2008-01-01

    To achieve a fundamental understanding of the function of proteins and protein complexes at the molecular level, it is crucial to obtain a detailed knowledge about their dynamic and structural properties. The kinetics of backbone amide hydrogen exchange is intimately linked to the structural...... dynamics of the protein, and in recent years, the monitoring of the isotopic exchange of these hydrogens by mass spectrometry has become a recognized method. At present, the resolution of this method is, however, limited and single-residue resolution is typically only obtained for a few residues in a...... protein. It would therefore be desirable if gas-phase fragmentation could be used to localize incorporated deuterons as this would ultimately lead to single-residue resolution. A central obstacle for this approach is, however, the occurrence of intramolecular migration of amide hydrogens upon activation...

  14. 1,5-Dimethyl-4-(1-methyl-3-oxo-3-phenylprop-1-enylamino-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Hualing Zhu

    2011-07-01

    Full Text Available In the title compound, C21H21N3O2, an intramolecular N—H...O interaction generates an S(6 ring, which stablizes the enamine–keto tautomer. The S(6 ring makes dihedral angles of 33.07 (7, 56.50 (8 and 38.59 (8°, respectively, with the benzoylacetone benzene ring and the antipyrine pyrazole and benzene rings.

  15. Crystal structure of 4-[(E-(4-hydroxybenzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Joel T. Mague

    2015-12-01

    Full Text Available The asymmetric unit of the title compound, C18H17N3O2, comprises three independent molecules (1, 2 and 3. In molecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6 and 28.72 (6°, respectively. The corresponding data for molecule 2 are 86.84 (6 and 25.69 (5°, respectively, and for molecule 3 are 47.41 (7 and 17.09 (7°, respectively. The three molecules feature an intramolecular C—H...O interaction, which closes an S(6 ring in each case. In the crystal, molecules are linked by O—H...O hydrogen bonds, which generate [100] chains incorporating all three asymmetric molecules. Two weak C—H...O interactions connect three independent molecules to each other along the c-axis direction.

  16. Structure-Toxicity Relations of Some Substituted 2-BENZOYL-1H-INDENE-1,3(2H)-DIONE Rodenticides.

    Science.gov (United States)

    Opong-Mensah, Kofi

    Chemical control of rodents depends primarily on the use of poisoned baits. The need for more potent rodenticides arises out of the evolution of resistant strains in rodent populations. One novel and 5 known benzoylindandiones were synthesized by condensation of methyl aryl ketones with dimethyl phthalate. Novel TLC, HPLC, and GC methods were developed to assay the acylindandiones after characterization by MS, IR and FT-NMR spectroscopy. The n-octanol/water partition coefficient (log P), acid dissociation constants (pKa) and mouse LD(,50)s were determined experimentally. Quantum mechanical molecular descriptors, such as HOMO-LUMO energies, were generated using computer models. The structure-toxicity relations of the benzoylindandiones were developed using regression models and partial least squares analysis. LD(,50)s (mM/Kg) for male Sprague-Dawley mice by intraperitoneal injection for 2-benzoyl-1,3-indandione (1), 2-(4'-methoxybenzoyl)-1,3-indandione (2), 2-(3'-methylbenzoyl) -1,3-indandione (3), 2-(4'-methylbenzoyl)-1,3-indandione (4), 2-(4'-isopropylbenzoyl)-1,3-indandione (5), and 2 -diphenylacetyl-1,3-indandione (6) were (median, 95% confidence limits): 1, 0.038 (0.030-0.049); 2, 0.026 (0.021-0.037); 3, 0.083 (0.065-0.106); 4, 0.077 (0.060-0.098); 5, 0.096 (0.071-0.128); and 6, 0.048 (0.035-0.064); log P was (mean (+OR-) standard error): 1, 1.14 (+OR-) 0.03; 2, 1.37 (+OR -) 0.02; 3, 1.24 (+OR-) 0.04; 4, 1.31 (+OR-) 0.02; 5, 1.43 (+OR-) 0.03 and 6, 2.47 (+OR-) 0.03; the pKas were (mean (+OR-) standard error): 1, 3.08 (+OR-) 0.02; 2, 3.91 (+OR -) 0.01; 3, 2.63 (+OR-) 0.01; 4, 2.93 (+OR-) 0.02; 5, 3.91 (+OR-) 0.01; and 6, 3.31 (+OR-) 0.01. -Log (,10)LD(,50) of the 6 indandiones correlated highly with the mean of the C-13 NMR chemical shifts of the carbonyl carbons, but poorly with pKa, IR carbonyl stretching frequencies, HOMO, LUMO, Hammett sigma and log P. 2-Benzoyl-1,3-indandione and 2-(4'-methoxybenzoyl) -1,3-indandione were more potent rodenticides than diphenadione in mice.

  17. Polarization Transfer Measurement for $^1H(\\vec{d},\\vec{p})^2 H$ Elastic Scattering at 135 MeV/u and Three Nucleon Force Effects

    CERN Document Server

    Sekiguchi, K; Witala, H; Ermisch, K; Glöckle, W; Golak, J; Hatano, M; Kamada, H; Kalantar-Nayestanaki, N; Kato, H; Maeda, Y; Nishikawa, J; Nogga, A; Ohnishi, T; Okamura, H; Saitô, T; Sakamoto, N; Sakoda, S; Satou, Y; Suda, K; Tamii, A; Uchigashima, T; Uesaka, T; Wakasa, T; Yako, K

    2004-01-01

    The deuteron to proton polarization transfer coefficients for the $d$--$p$ elastic scattering were precisely measured with an incoming deuteron energy of 135 MeV/u at the RIKEN Accelerator Research Facility. The data are compared to theoretical predictions based on exact solutions of three-nucleon Faddeev equations with high--precision nucleon--nucleon forces combined with different three-nucleon forces (3NFs), representing the current, most popular models: the $2\\pi$-exchange Tucson-Melbourne model, a modification thereof closer to chiral symmetry TM'(99), and the Urbana IX 3NF. Theory predicts large 3NF effects, especially in the angular range around the cross section minimum, but the present data only partially concurs, predominantly for $K_{xx}^{y'}-K_{yy}^{y'}$ ($K_{xx}^{y'}$, $K_{yy}^{y'}$). For the induced polarization, $P^{y'}$, the TM$'$(99) and Urbana IX 3NFs reproduce the data, but the Tucson-Melbourne 3NF fails to describe the data. For the polarization transfer coefficients, $K_{y}^{y'}$ and $K_{...

  18. Fetal chromosome analysis: screening for chromosome disease?

    DEFF Research Database (Denmark)

    Philip, J; Tabor, Ann; Bang, J;

    1983-01-01

    A + B). Pregnant women 35 years of age, women who previously had a chromosomally abnormal child, families with translocation carriers or other heritable chromosomal disease, families where the father was 50 years or more and women in families with a history of Down's syndrome (group A), were...... unbalanced chromosome abnormality in group A (women with elevated risk) is significantly higher than in group B + C (women without elevated risk) (relative risk 2.4). Women with a known familial translocation and women 40 years or more have a relative risk of 5.7 of having an unbalanced chromosome......The aim of the study was to investigate the rationale of the current indications for fetal chromosome analysis. 5372 women had 5423 amniocentesis performed, this group constituting a consecutive sample at the chromosome laboratory, Rigshospitalet, Copenhagen from March 1973 to September 1980 (Group...

  19. 1H-1H correlations across N-H···N hydrogen bonds in nucleic acids

    International Nuclear Information System (INIS)

    In 2HJNN-COSY experiments, which correlate protons with donor/acceptor nitrogens across Nd···HNa bonds, the receptor nitrogen needs to be assigned in order to unambiguously identify the hydrogen bond. For many situations this is a non-trivial task which is further complicated by poor dispersion of (Na,Nd) resonances. To address these problems, we present pulse sequences to obtain direct, internucleotide correlations between protons in uniformly 13C/15N labeled nucleic acids containing Nd···HNa hydrogen bonds. Specifically, the pulse sequence H2(N1N3)H3 correlates H2(A,ω1):H3(U,ω2) protons across Watson-Crick A-U and mismatched G·A base pairs, the sequences H5(N3N1)H1/H6(N3N1)H1 correlate H5(C,ω1)/H6(C,ω1):H1(G,ω2) protons across Watson-Crick G-C base pairs, and the H2(N2N7)H8 sequence correlates NH2(G,A,C;ω1):H8(G,A;ω2) protons across G·G, A·A, sheared G·A and other mismatch pairs. These 1H-1H connectivities circumvent the need for independent assignment of the donor/acceptor nitrogen and related degeneracy issues associated with poorly dispersed nitrogen resonances. The methodology is demonstrated on uniformly 13C/15N labeled samples of (a) an RNA regulatory element involving the HIV-1 TAR RNA fragment, (b) a multi-stranded DNA architecture involving a G·(C-A) triad-containing G-quadruplex and (c) a peptide-RNA complex involving an evolved peptide bound to the HIV-1 Rev response element (RRE) RNA fragment

  20. Determination of relative natural isotopic abundance of 2H using NMR spectroscopy and application in food analysis

    International Nuclear Information System (INIS)

    The basic relations are defined for determining the content of deuterium in compound CXHP. Hydrogen atoms 1H and 2H are distributed among the individual diastereotopic points in the molecule which is either monodeuterized or non deuterized. The SNIF-NMR parameter is derived from these assumptions. Procedures are presented for preparing samples for NMR experiments. For measuring NMR spectra of 2H the effects are considered of relaxation times and the total time of measurement. Relaxation times of deuterium in small molecules are of the order of 1 second. The possibilities are shown of using 2H NMR spectroscopy for the study of deuterium transfer during chemical and biochemical reactions, for the determination of isotope purity, the determination of the origin of the sample and for the surveillance of technological processes. Examples of the applications are given. (E.S.). 3 figs., 8 tabs., 42 refs

  1. Analysis of intracranial cystic disease on 1H MR spectroscopy

    International Nuclear Information System (INIS)

    Objective: To analyze the features of intracrayze the features of intracranial cystic diseases on 1H MRS, and to evaluate the applicable value of 1H MRS. Methods: Fifty-two patients were examinated by single voxel 1H MRS, included I-II graded astrocytomas (n=8), glioblastomas (n=9), metastasis (n=13), brain abscesses (n=10), epidermoids (n=4), anachnoid cysts (n=5), brain Cysticerciasis (n=3). Results: (1) There was only Lac in I-II graded astrocytomas. But in glioblastomas, as were as all showed Lac, 4 cases showed low Cho and NAA and 2 cases Lip. (2) In 13 metastasis patients, 7 cases only presented Lac, 6 cases showed Cho, 3 cases showed low NAA and 6 ones Lip. (3) In brain abscesses, all showed Lac, 9 cases displayed AA, 6 cases showed Ace, 5 cases appeared Suc and Ala, 2 eases had Lip. (4) Four eases of epidermoid showed Lac, one showed Lip. In 4 arachnoid cysts, 2 cases had low Lac, one showed Lip. Three cases of cysticercosis showed Lac, Ace, Suc, Ala and no AA, Cho, NAA. Conclusion: Lac is the most common resonance peak on 1H MRS in intracranial cystic diseases and for no diagnostic specificity. AA combined Ace, Suc, and Ala are highly specificity for brain abscess. Ace, Suc and Ala appearance cues the the possible existence of cysticercosis. 1H MRS is helpful for the qualitative diagnosis of intracranial disease. (authors)

  2. Chromosome painting in plants.

    NARCIS (Netherlands)

    Schubert, I.; Fransz, P.F.; Fuchs, J.; Jong, de J.H.

    2001-01-01

    The current 'state-of-art' as to chromosome painting in plants is reviewed. We define different situations described as painting so far: i) Genomic in situ hybridisation (GISH) with total genomic DNA to distinguish alien chromosomes on the basis of divergent dispersed repeats, ii) 'Chromosomal in si

  3. The enantiospecific synthesis of [5-2H]-5-epi-shikimic acid and of (6R) [6-2H]-, (6S) [6-2H]- and [6-2H2] shikimic acid

    International Nuclear Information System (INIS)

    The enantioselective synthesis of [5-2H]-5-epi-shikimic acid starting from commercially available L-shikimic acid has been accomplished in this work. The introduction of the stable isotope was facilitated by an enzymic reduction of a ketone. An interesting stereospecific enolisation was also observed during this reaction resulting in partial deuteration of the 6-equatorial position. In addition, the enantioselective syntheses of methyl (6R) [6-2H]-, and (6S) [6-2H] shikimate are described. The procedure is an adaptation of a reported enantiospecific synthesis of shikimic acid, with the inclusion of an enzymic reduction step. (author)

  4. Diaqua(5-methyl-1H-pyrazole-3-carboxylato(4-nitrobenzoatocopper(II

    Directory of Open Access Journals (Sweden)

    Shan-shan Zhang

    2009-02-01

    Full Text Available In the title complex, [Cu(C7H4NO4(C5H5N2O2(H2O2], the CuII ion is coordinated in a slightly distorted square-pyramidal enviroment. The basal plane is formed by an N atom and an O atom from a 5-methyl-1H-pyrazole-3-carboxylate ligand and by two O atoms from two water ligands. The apical position is occupied by a carboxylate O atom from a 4-nitrobenzoate ligand. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link complex moleclues, forming extended chains parallel to the a axis.

  5. 脑胶质瘤的1H MRS

    Institute of Scientific and Technical Information of China (English)

    杨桂芬; 田伟

    2005-01-01

    活体质子磁共振波谱(proton magnetic resonance spectroscopy,1H MRS)由于能够无创性检测肿瘤组织及正常表观组织代谢物的变化,目前在胶质瘤的分级、诊断、范围确定及鉴别诊断中有积极的应用价值。本文主要介绍1H MRS在胶质瘤中的研究现状。

  6. Localized double-quantum-filtered 1H NMR spectroscopy

    Science.gov (United States)

    Thomas, M. A.; Hetherington, H. P.; Meyerhoff, D. J.; Twieg, D. B.

    The image-guided in vivo spectroscopic (ISIS) pulse sequence has been combined with a double-quantum-filter scheme in order to obtain localized and water-suppressed 1H NMR spectra of J-coupled metabolites. The coherence-transfer efficiency associated with the DQ filter for AX and A 3X spin systems is described. Phantom results of carnosine, alanine, and ethanol in aqueous solution are presented. For comparison, the 1H NMR spectrum of alanine in aqueous solution with the binomial (1331, 2662) spin-echo sequence is also shown.

  7. Theoretical Studies on N2H+O Reaction

    Institute of Scientific and Technical Information of China (English)

    L(U) Ying-wen; L(U) Wen-cai; SU Zhong-min

    2008-01-01

    The N2H+O potential energy profile was studied at the CCSD(T)/6-311G++(dfp)//MP2/6-311G(d,p) level.Reactions associated with four intermediates(cis-HNNO, trans-HNNO, NNHO, and NNOH) were investigated. The results indicate that N2H+O reaction toward H+N2O is more favored than that toward N2+OH, consistent with previous experimental studies. The pathways for the two reactions are found to go through cis-HNNO, transition state, and finally to the products. The N2H+O→NH+NO reaction was studied in detail. Product NO in such a reaction is likely to occur via cis-HNNO, followed by trans-HNNO, and finally dissociates into NH+NO. These results suggest that N2H+O→NH+NO is an important channel in NO production.

  8. Synthesis of 1-aryl-3-(3,4-dihydro-2H-chromen-5-yl)ureas as TNF-α inhibitors

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new series of compounds, 1-aryl-3-(3,4-dihydro-2H-chromen-5-yl) ureas, have been synthesized and their structures were confirmed by FAB-MS and 1H NMR. The preliminary pharmacological screening showed that these compounds inhibited TNF-αproduction in lipopolysaccharide (LPS)-stimulated THP-1 cells.

  9. Synthesis, structure and NMR characterization of a new monomeric aluminophosphate [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4 containing four different types of monophosphates

    Science.gov (United States)

    Chen, Peng; Li, Jiyang; Xu, Jun; Duan, Fangzheng; Deng, Feng; Xu, Ruren

    2009-03-01

    A new zero-dimensional (0D) aluminophosphate monomer [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4 (designated AlPO-CJ38) with Al/P ratio of 1/6 has been solvothermally prepared by using racemic cobalt complex dl-Co(en) 3Cl 3 as the template. The Al atom is octahedrally linked to six P atoms via bridging oxygen atoms, forming a unique [Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2] 6- monomer. Notably, there exists intramolecular symmetrical O⋯H⋯O bonds, which results in pseudo-4-rings stabilized by the strong H-bonding interactions. The structure is also featured by the existence of four different types of monophosphates that have been confirmed by 31P NMR and 1H NMR spectra. The crystal data are as follows: AlPO-CJ38, [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4, M = 1476.33, monoclinic, C2/ c (No. 15), a = 36.028(7) Å, b = 8.9877(18) Å, c = 16.006(3) Å, β = 100.68(3)°, U = 5093.2(18) Å 3,Z = 4, R1 = 0.0509 ( I > 2 σ( I)) and wR2 = 0.1074 (all data). CCDC number 689491.

  10. C2H observations toward the Orion Bar

    Science.gov (United States)

    Nagy, Z.; Ossenkopf, V.; Van der Tak, F. F. S.; Faure, A.; Makai, Z.; Bergin, E. A.

    2015-06-01

    Context. The ethynyl radical (C2H) is one of the first radicals to be detected in the interstellar medium. Its higher rotational transitions have recently become available with the Herschel Space Observatory. Aims: We aim to constrain the physical parameters of the C2H emitting gas toward the Orion Bar. Methods: We analyze the C2H line intensities measured toward the Orion Bar CO+ Peak and Herschel/HIFI maps of C2H, CH, and HCO+ and a NANTEN map of [Ci]. We interpret the observed C2H emission using the combination of Herschel/HIFI and NANTEN data with radiative transfer and PDR models. Results: Five rotational transitions of C2H (from N = 6-5 up to N = 10-9) have been detected in the HIFI frequency range toward the CO+ peak of the Orion Bar. Based on the five detected C2H transitions, a single component rotational diagram analysis gives a rotation temperature of ~64 K and a beam-averaged C2H column density of 4 × 1013 cm-2. The rotational diagram is also consistent with a two-component fit, resulting in rotation temperatures of 43 ± 0.2 K and 123 ± 21 K and in beam-averaged column densities of ~8.3 × 1013 cm-2 and ~2.3 × 1013 cm-2 for the three lower-N and for the three higher-N transitions, respectively. The measured five rotational transitions cannot be explained by any single parameter model. According to a non-LTE model, most of the C2H column density produces the lower-N C2H transitions and traces a warm (Tkin ~ 100-150 K) and dense (n(H2) ~ 105-106 cm-3) gas. A small fraction of the C2H column density is required to reproduce the intensity of the highest-N transitions (N = 9-8 and N = 10-9) originating in a high-density (n(H2) ~5 × 106 cm-3) hot (Tkin ~ 400 K) gas. The total beam-averaged C2H column density in the model is 1014 cm-2. A comparison of the spatial distribution of C2H to those of CH, HCO+, and [Ci] shows the best correlation with CH. Conclusions: Both the non-LTE radiative transfer model and a simple PDR model representing the Orion Bar

  11. Metabolite Characterization in Peritoneal Dialysis Effluent Using High-resolution 1H and 1H-13C NMR Spectroscopy

    CERN Document Server

    Guleria, Anupam; Rawat, Atul; Khetrapal, C L; Prasad, Narayan; Kumar, Dinesh

    2014-01-01

    Metabolite analysis of peritoneal dialysis (PD) effluent may provide information regarding onset and progression of complications associated with prolonged PD therapy. In this context, the NMR detectable small metabolites of PD effluent samples were characterized using high resolution 1H and 1H-13C NMR spectroscopy. The various spectra were recorded (at 800 MHz proton frequency) on PD effluent samples obtained after 4 hour (intraperitoneal) dwell time from patients with end stage renal failure (ESRF) and continuing normally on PD therapy. Inspite of devastating spectral feature of PD effluent due to the presence of intense resonances from glucose and lactate, we were able to identify about 53 small endogenous metabolites (including many complex coupled spin systems) and more than 90 % of the total CH cross peaks of 1H-13C HSQC spectrum were identified specific to various metabolites of PD effluent. We foresee that the characteristic fingerprints of various metabolites of control PD effluent samples will be us...

  12. 1H NMR spectroscopy-based interventional metabolic phenotyping

    DEFF Research Database (Denmark)

    Lauridsen, Michael B; Bliddal, Henning; Christensen, Robin;

    2010-01-01

    1H NMR spectroscopy-based metabolic phenotyping was used to identify biomarkers in the plasma of patients with rheumatoid arthritis (RA). Forty-seven patients with RA (23 with active disease at baseline and 24 in remission) and 51 healthy subjects were evaluated during a one-year follow-up with...

  13. Main: 1H1Y [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H1Y イネ Rice Oryza sativa L. D-Ribulose-5-Phosphate ... 3-Epimerase Oryza Sativa Molecule: D-Ribul ... ose-5-Phosphate ... 3-Epimerase; Chain: A, B; Engineered: Yes Isomeras ... e 5.1.3.1 (D-Ribulose-5-Phosphate ... 3-Epimerase) S.Jelakovic, G.E.Schulz S.Jelakovic, ...

  14. Main: 1H1Z [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H1Z イネ Rice Oryza sativa L. D-Ribulose-5-Phosphate ... 3-Epimerase Oryza Sativa Molecule: D-Ribul ... ose-5-Phosphate ... 3-Epimerase; Chain: A, B; Engineered: Yes Isomeras ... e 5.1.3.1 (D-Ribulose-5-Phosphate ... 3-Epimerase) S.Jelakovic, G.E.Schulz S.Jelakovic, ...

  15. Liver Metabolite Concentrations Measured with 1H MR Spectroscopy

    OpenAIRE

    Ouwerkerk, Ronald; PETTIGREW, RODERIC I.; Gharib, Ahmed M.

    2012-01-01

    In vivo measurement of liver choline concentrations in healthy humans is feasible, and even measurement of glycogen can be achieved in some patients at 3.0 T with point-resolved 1H MR spectroscopy by using navigator-guided synchronization to respiratory motion and state-of-the-art B0 field shimming techniques.

  16. Applications of 1H-NMR to Biodiesel Research

    Science.gov (United States)

    Biodiesel is an alternative diesel fuel derived from vegetable oils, animal fats, or used cooking oils. It is produced by reacting these materials with an alcohol in the presence of a catalyst to give the corresponding mono-alkyl esters. 1H-NMR is a routine analytical method that has been used for...

  17. Chimpanzee chromosome 12 is homologous to human chromosome 2q

    Energy Technology Data Exchange (ETDEWEB)

    Sun, N. C.; Sun, C. R.Y.; Ho, T.

    1977-01-01

    Most of the 46 human chromosomes find their counterparts in the 48 chimpanzee chromosomes except for chromosome 2 which has been hypothesized to have been derived from a centric fusion of two chimpanzee acrocentric chromosomes. These two chromosomes correspond to the human chromosomes 2p and 2g. This conclusion is based primarily on chromosome banding techniques, and the somatic cell hybridization technique has also been used. (HLW)

  18. Co(III)-Carbene Radical Approach to Substituted 1H-Indenes.

    Science.gov (United States)

    Das, Braja Gopal; Chirila, Andrei; Tromp, Moniek; Reek, Joost N H; Bruin, Bas de

    2016-07-20

    A new strategy for the catalytic synthesis of substituted 1H-indenes via metalloradical activation of o-cinnamyl N-tosyl hydrazones is presented, taking advantage of the intrinsic reactivity of a Co(III) carbene radical intermediate. The reaction uses readily available starting materials and is operationally simple, thus representing a practical method for the construction of functionalized 1H-indene derivatives. The cheap and easy to prepare low spin cobalt(II) complex [Co(II)(MeTAA)] (MeTAA = tetramethyltetraaza[14]annulene) proved to be the most active catalyst among those investigated, which demonstrates catalytic carbene radical reactivity for a nonporphyrin cobalt(II) complex, and for the first time catalytic activity of [Co(II)(MeTAA)] in general. The methodology has been successfully applied to a broad range of substrates, producing 1H-indenes in good to excellent yields. The metallo-radical catalyzed indene synthesis in this paper represents a unique example of a net (formal) intramolecular carbene insertion reaction into a vinylic C(sp(2))-H bond, made possible by a controlled radical ring-closure process of the carbene radical intermediate involved. The mechanism was investigated computationally, and the results were confirmed by a series of supporting experimental reactions. Density functional theory calculations reveal a stepwise process involving activation of the diazo compound leading to formation of a Co(III)-carbene radical, followed by radical ring-closure to produce an indanyl/benzyl radical intermediate. Subsequent indene product elimination involving a 1,2-hydrogen transfer step regenerates the catalyst. Trapping experiments using 2,2,6,6-tetra-methylpiperidine-1-oxyl (TEMPO) radical or dibenzoylperoxide (DBPO) confirm the involvement of cobalt(III) carbene radical intermediates. Electron paramagnetic resonance spectroscopic spin-trapping experiments using phenyl N-tert-butylnitrone (PBN) reveal the radical nature of the reaction. PMID

  19. Atmospheric chemistry of CF3OCF2CF2H and CF3OC(CF3)2H

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Nielsen, O J; Wallington, T J;

    2005-01-01

    gives CF3OC(O)CF3 and COF2 in molar yields that are indistinguishable from 100%. Quantitative infrared spectra were recorded and used to estimate global warming potentials of 3690 and 8230 (100 year time horizon, relative to CO2) for CF3OCF2CF2H and CF3OC(CF3)2H, respectively. All experiments were...

  20. Complete genome sequence of the halophilic and highly halotolerant Chromohalobacter salexigens type strain (1H11T)

    Energy Technology Data Exchange (ETDEWEB)

    Copeland, A [U.S. Department of Energy, Joint Genome Institute; O' Connor, Kathleen [Purdue University; Lucas, Susan [U.S. Department of Energy, Joint Genome Institute; Lapidus, Alla L. [U.S. Department of Energy, Joint Genome Institute; Berry, Kerrie W. [United States Department of Energy Joint Genome Institute; Detter, J. Chris [U.S. Department of Energy, Joint Genome Institute; Glavina Del Rio, Tijana [U.S. Department of Energy, Joint Genome Institute; Hammon, Nancy [U.S. Department of Energy, Joint Genome Institute; Dalin, Eileen [U.S. Department of Energy, Joint Genome Institute; Tice, Hope [U.S. Department of Energy, Joint Genome Institute; Pitluck, Sam [U.S. Department of Energy, Joint Genome Institute; Bruce, David [Los Alamos National Laboratory (LANL); Goodwin, Lynne A. [Los Alamos National Laboratory (LANL); Han, Cliff [Los Alamos National Laboratory (LANL); Tapia, Roxanne [Los Alamos National Laboratory (LANL); Saunders, Elizabeth H [Los Alamos National Laboratory (LANL); Schmutz, Jeremy [Stanford University; Brettin, Thomas S [ORNL; Larimer, Frank W [ORNL; Land, Miriam L [ORNL; Hauser, Loren John [ORNL; Vargas, Carmen [University of Seville; Nieto, Joaquin J. [University of Seville; Kyrpides, Nikos C [U.S. Department of Energy, Joint Genome Institute; Ivanova, N [U.S. Department of Energy, Joint Genome Institute; Goker, Markus [DSMZ - German Collection of Microorganisms and Cell Cultures GmbH, Braunschweig, Germany; Klenk, Hans-Peter [DSMZ - German Collection of Microorganisms and Cell Cultures GmbH, Braunschweig, Germany; Csonka, Laszlo N. [Purdue University; Woyke, Tanja [U.S. Department of Energy, Joint Genome Institute

    2011-01-01

    Chromohalobacter salexigens is one of nine currently known species of the genus Chromoha- lobacter in the family Halomonadaceae. It is the most halotolerant of the so-called mod- erately halophilic bacteria currently known and, due to its strong euryhaline phenotype, it is an established model organism for prokaryotic osmoadaptation. C. salexigens strain 1H11T and Halomonas elongata are the first and the second members of the family Halomonada- ceae with a completely sequenced genome. The 3,696,649 bp long chromosome with a total of 3,319 protein-coding and 93 RNA genes was sequenced as part of the DOE Joint Genome Institute Program DOEM 2004.

  1. 1H NMR studies of insulin: histidine residues, metal binding, and dissociation in alkaline solution

    International Nuclear Information System (INIS)

    The shifts of the H2 histidine B5 and B10 resonances of 2-Zn insulin hexamer were followed in 2H2O by 1H NMR spectroscopy at 270 MHz from pH 9.85 to 7. The two resonances present at high pH, previously assigned to H2 histidine B5 and B10 residues, moved slightly downfield and split into four resonances at pH 8.95 and also at pH 7. By use of a paramagnetic broadening probe (Mn2+) and the addition of Zn2+ to metal-free insulin, it was deduced that the four resonances arose from histidines B10 and B5 in two different magnetic environments, probably either bound to Zn2+ or not bound to Zn2+. The pK' values of the B5 and B10 histidines were determined in 60% 2H2O-40% dioxan, in which insulin was soluble throughout the pH range, to be 7.1 and 6.8, respectively at 37 degrees C. Studies at higher pH indicated that at a concentration level suitable for 1H NMR (approximately 1 mM) at 37 degrees C in 2H2O the 2-Zn hexamer was largely dissociated to dimer at pH 10.3 and to monomer at pH 10.8. Addition of paramagnetic shift probe Ni2+ to metal-free insulin caused changes to the spectrum similar to those produced on addition of diamagnetic Zn2+. Addition of Co2+ gave a different result, but there was no paramagnetic shift of the H2 histidine B10 resonance, probably because of rapid exchange at the binding site. Addition of Cd2+ and of Cd2+ and Ca2+ produced changes that were similar to each other but were different from those observed on addition of Zn2+, probably due to the binding of Cd2+ and Ca2+ at glutamate B13

  2. Bis[6-(3,5-dimethyl-1H-pyrazol-1-ylpicolinato]nickel(II–aqua[6-(3,5-dimethyl-1H-pyrazol-1-ylpicolinic acid]dithiocyanatonickel(II (1/1

    Directory of Open Access Journals (Sweden)

    Kai Zhao

    2008-01-01

    Full Text Available In the title cocrystal, [Ni(C11H10N3O22]·[Ni(NCS2(C11H11N3O2(H2O], both NiII ions are in disorted octahedral coordination environments. One NiII ion is coordinated by four N atoms and two O atoms from two tridentate 6-(3,5-dimethyl-1H-pyrazol-1-ylpicolinate (DPP ligands, while the other NiII ion is coordinated by a tridentate 6-((3,5-dimethyl-1H-pyrazol-1-ylpicolinic acid (DPPH ligand and by two N atoms and one O atom from two thiocyanate and one water ligand, respectively. In the crystal structure, molecules are linked by intermolecular O—H...O and O—H...S hydrogen bonds, forming extended chains along [010].

  3. Master regulator for chondrogenesis, Sox9, regulates transcriptional activation of the endoplasmic reticulum stress transducer BBF2H7/CREB3L2 in chondrocytes.

    Science.gov (United States)

    Hino, Kenta; Saito, Atsushi; Kido, Miori; Kanemoto, Soshi; Asada, Rie; Takai, Tomoko; Cui, Min; Cui, Xiang; Imaizumi, Kazunori

    2014-05-16

    The endoplasmic reticulum (ER) stress transducer, box B-binding factor 2 human homolog on chromosome 7 (BBF2H7), is a basic leucine zipper (bZIP) transmembrane transcription factor. This molecule is activated in response to ER stress during chondrogenesis. The activated BBF2H7 accelerates cartilage matrix protein secretion through the up-regulation of Sec23a, which is responsible for protein transport from the ER to the Golgi apparatus and is a target of BBF2H7. In the present study, we elucidated the mechanisms of the transcriptional activation of Bbf2h7 in chondrocytes. The transcription of Bbf2h7 is regulated by Sex determining region Y-related high-mobility group box 9 (Sox9), a critical factor for chondrocyte differentiation that facilitates the expression of one of the major cartilage matrix proteins Type II collagen (Col2), through binding to the Sox DNA-binding motif in the Bbf2h7 promoter. BBF2H7 is activated as a transcription factor in response to physiological ER stress caused by abundant synthesis of cartilage matrix proteins, and consequently regulates the secretion of cartilage matrix proteins. Taken together, our findings demonstrate novel regulatory mechanisms of Sox9 for controlling the secretion of cartilage matrix proteins through the activation of BBF2H7-Sec23a signaling during chondrogenesis. PMID:24711445

  4. High pressure oxidation of C2H4/NO mixtures

    DEFF Research Database (Denmark)

    Giménez-López, J.; Alzueta, M.U.; Rasmussen, C.T.;

    2011-01-01

    An experimental and kinetic modeling study of the interaction between C2H4 and NO has been performed under flow reactor conditions in the intermediate temperature range (600–900K), high pressure (60bar), and for stoichiometries ranging from reducing to oxidizing conditions. The main reaction...... reaction HOCH2CH2OO+NO→CH2OH+CH2O+NO2, which pushes a complex system of partial equilibria towards products. This is a confirmation of the findings of Doughty et al. [3] for a similar system at atmospheric pressure. Under reducing conditions and temperatures above 700K, a significant fraction of the NOx is...... pathways of the C2H4/O2/NOx conversion, the capacity of C2H4 to remove NO, and the influence of the presence of NOx on the C2H4 oxidation are analyzed. Compared to the C2H4/O2 system, the presence of NOx shifts the onset of reaction 75–150K to lower temperatures. The mechanism of sensitization involves the...

  5. (2S*-2-Ammonio-3-(1H-indol-3-ylpropionate pyridine-2,4-dicarboxylic acid ethanol solvate

    Directory of Open Access Journals (Sweden)

    Kai Di

    2010-05-01

    Full Text Available In the title compound, C11H12N2O2·C7H5NO4·C2H6O, the (2S*-2-amino-3-(1H-indol-3-ylpropionic acid is present in the zwitterionic form. In the crystal structure, 2-amino-3-(1H-indol-3-ylpropionic acid molecules and pyridine-2,4-dicarboxylic acid molecules are linked through strong intermolecular O—H...O and N—H...O hydrogen bonds, forming layers parallel to (100. The layers are linked through the ethanol molecules via somewhat weaker intermolecular O—H...O and N—H...O hydrogen bonds, forming thus a three-dimensional network. Weak C—H...O and N—H...N hydrogen bonding and π–π interactions between the aromatic rings are also present.

  6. 5-Pentyl-4-phenylsulfonyl-1H-pyrazol-3-ol

    Directory of Open Access Journals (Sweden)

    Tara Shahani

    2010-06-01

    Full Text Available In the title compound, C14H18N2O3S, the 1H-pyrazole ring is approximately planar, with a maximum deviation of 0.005 (1 Å. The dihedral angle formed between the 1H-pyrazole and phenyl rings is 79.09 (5°. Pairs of intermolecular N—H...O and O...H...N hydrogen bonds form dimers between neighboring molecules, generating R22(10 ring motifs. These dimers are further linked byintermolecular N—H...O and O—H...N hydrogen bonds into a two-dimensional array parallel to the ac plane. The crystal structure is also stabilized by C—H...π interactions.

  7. 2-Methyl-1H-benzimidazol-3-ium hydrogen phthalate

    OpenAIRE

    YuanQi Yu; Haidong He; Kai Tong; Shouwen Jin; Feng Lin

    2011-01-01

    The asymmetric unit of the title compound, C8H9N2+·C8H5O4−, contains two independent ion pairs. In each 2-methyl-1H-benzimidazolium ion, an intramolecular O—H...O bond forms an S(7) graph-set motif. In the crystal, the components are linked by N—H...O hydrogen bonds, forming chains along [210]. Further stabilization is provided by weak C—H...O hydrogen bonds.

  8. Laundering and Deinking Applications of 1H NMR Imaging

    Science.gov (United States)

    Tutunjian, P. N.; Borchardt, J. K.; Prieto, N. E.; Raney, K. H.; Ferris, J. A.

    One-dimensional 1H NMR imaging techniques are used to visualize oil removal from fabrics and paper fibers immersed in aqueous solutions of nonionic detergents. The method provides a unique approach to the study of oil-removal kinetics in nonionic detergent systems where traditional optical techniques fail due to solution turbidity. The only requirement of the NMR experiment is the use of deuterated water in order to selectively image the hydrocarbon phase. Preliminary applications to laundering and paper deinking are discussed.

  9. Hochfeld 1H-NMR-Mikroskopie zur biophysikalischen Grundlagenforschung

    OpenAIRE

    Haddad, Daniel

    2005-01-01

    Dank der mit modernen NMR-Spektrometern (Kernspintomographen) routinemäßig realisierbaren isotropen räumlichen Auflösungen von wenigen Mikrometern, ergeben sich für die 1H NMR-Mikroskopie zahlreiche neue Anwendungsgebiete. Allerdings sind die Möglichkeiten und Grenzen der NMR-Mikroskopie bezüglich ihrer praktischen Anwendbarkeit bisher nur wenig untersucht worden. Die vorliegende Arbeit ist im Bereich der biophysikalischen Grundlagenforschung angesiedelt und soll die praktische Anwendbarkeit ...

  10. N2H+ Observations of Molecular Cloud Cores in Taurus

    OpenAIRE

    Tatematsu, K; Umemoto, T; Kandori, R.; Y. Sekimoto

    2004-01-01

    N2H+ observations of molecular cloud cores in Taurus with the Nobeyama 45 m radio telescope are reported. We compare ``cores with young stars'' with ``cores without young stars''. The differences in core radius, linewidth, and core mass are small. Linewidth is dominated by thermal motions in both cases. N2H+ maps show that the intensity distribution does not differ much between cores without stars and those with stars. This is in contrast to the result previously obtained in H13CO+ toward Tau...

  11. Proton-detected 3D 1H/13C/1H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

    Science.gov (United States)

    Zhang, Rongchun; Nishiyama, Yusuke; Ramamoorthy, Ayyalusamy

    2015-10-01

    A proton-detected 3D 1H/13C/1H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of 13C-1H connectivities, and proximities of 13C-1H and 1H-1H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including 1H-1H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) 1H/1H and 2D 13C/1H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of 1H-1H proximity and 13C-1H connectivity. In addition, the 2D (F1/F2) 1H/13C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of 1H-1H dipolar couplings, enables the measurement of proximities between 13C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of 1H-1H-13C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ṡ H2O ṡ HCl demonstrate the efficiency of the 3D experiment.

  12. Proton-detected 3D 14N/14N/1H isotropic shift correlation experiment mediated through 1H-1H RFDR mixing on a natural abundant sample under ultrafast MAS

    Science.gov (United States)

    Pandey, Manoj Kumar; Nishiyama, Yusuke

    2015-09-01

    In this contribution, we have demonstrated a proton detection-based approach on a natural abundant powdered L-Histidine HCl-H2O sample at ultrafast magic angle spinning (MAS) to accomplish 14N/14N correlation from a 3D 14N/14N/1H isotropic shift correlation experiment mediated through 1H finite-pulse radio frequency-driven recoupling (fp-RFDR). Herein the heteronuclear magnetization transfer between 14N and 1H has been achieved by HMQC experiment, whereas 14N/14N correlation is attained through enhanced 1H-1H spin diffusion process due to 1H-1H dipolar recoupling during the RFDR mixing. While the use of ultrafast MAS (90 kHz) provides sensitivity enhancement through increased 1H transverse relaxation time (T2), the use of micro-coil probe which can withstand strong 14N radio frequency (RF) fields further improves the sensitivity per unit sample volume.

  13. Plant sex chromosome evolution.

    Science.gov (United States)

    Charlesworth, Deborah

    2013-01-01

    It is now well established that plants have an important place in studies of sex chromosome evolution because of the repeated independent evolution of separate sexes and sex chromosomes. There has been considerable recent progress in studying plant sex chromosomes. In this review, I focus on how these recent studies have helped clarify or answer several important questions about sex chromosome evolution, and I shall also try to clarify some common misconceptions. I also outline future work that will be needed to make further progress, including testing some important ideas by genetic, molecular, and developmental approaches. Systems with different ages can clearly help show the time course of events during changes from an ancestral co-sexual state (hermaphroditism or monoecy), and I will also explain how different questions can be studied in lineages whose dioecy or sex chromosomes evolved at different times in the past. PMID:23125359

  14. Dynamic 1H NMR Studies of Schiff Base Derivatives

    Science.gov (United States)

    Köylü, M. Z.; Ekinci, A.; Böyükata, M.; Temel, H.

    2016-01-01

    The spin-lattice relaxation time T 1 and the spin-spin relaxation time T 2 of two Schiff base derivatives, N,N'-ethylenebis(salicylidene)-1,2-diaminoethane (H2L1) and N,N'-ethylenebis (salicylidene)-1,3-diaminopropane (H2L2), in DMSO-d6 solvent were studied as a function of temperature in the range of 20-50°C using a Bruker Avance 400.132 MHz 1H NMR spectrometer. Based on the activation energy ( E a) and correlation time (τc), we believe that the Schiff base derivatives perform a molecular tumbling motion.

  15. Localization of epileptogenic focus by 1H MR spectroscopy

    International Nuclear Information System (INIS)

    In fourteen patients suffering from pharmacoresistant epilepsy with partial complex seizures, 1H MR spectra from the left and right hippocampus were assessed. From the ratios NAA/Cr, NAA/Cho and NAA/(Cr+Cho) the asymmetry coefficient was calculated which characterizes the reduced NAA (N-acetyl aspartate) concentration in the assumed epileptogenic focus. An agreement between MRS and the EEG findings was found in 10 out of 14 cases, i.e. in 71%. MR spectroscopy is therefore another non-invasive diagnostic method suitable for the assessment of lateralization of an epileptic focus before epileptosurgery. (author) 2 tabs., 3 figs., 30 refs

  16. 2-Methyl-1H-benzimidazol-3-ium hydrogen phthalate

    Directory of Open Access Journals (Sweden)

    YuanQi Yu

    2011-10-01

    Full Text Available The asymmetric unit of the title compound, C8H9N2+·C8H5O4−, contains two independent ion pairs. In each 2-methyl-1H-benzimidazolium ion, an intramolecular O—H...O bond forms an S(7 graph-set motif. In the crystal, the components are linked by N—H...O hydrogen bonds, forming chains along [210]. Further stabilization is provided by weak C—H...O hydrogen bonds.

  17. 1H MR spectroscopy characteristics of cerebral alveolar echinococcosis

    International Nuclear Information System (INIS)

    Objective: To investigate the characteristics of proton magnetic resonance spectroscopy (1H MRS) in patients with cerebral alveolar echinococcosis (CAE). Methods: Thirteen patients with 33 lesions proven to be CAE histologically and clinically were examined by conventional MRI and 2D multi-voxel spectroscopy with a 3.0 T double gradient superconductivity magnetic resonance scanner. Concentrations of the metabolites containing N-acetyl-aspartic-acid (NAA), Choline (Cho), Creatine (Cr), lipids and lactic acid (Lip + Lac), myo-Inositol (mI) were detected and the value of Cho/Cr, NAA/Cr, (Lip + Lac)/Cr, mI/Cr were calculated. The values of Cho/Cr, NAA/Cr, (Lip + Lac)/Cr, mI/Cr were compared between the lesions and the contralateral normal brain parenchyma. Statistical analysis was performed using the Wilcoxon signed-rank test. Results: CAE 1H MRS in the lesions was characterized by the decrease of Cho, NAA to varying degrees, and a visible lipid with or without lactate peak. Compared with the control group, the ratio of NAA/Cr was decreased markedly, whereas Cho/Cr, mI/Cr increased mildly and (Lip + Lac)/Cr increased markedly in the lesions. The medians and interquartile ranges of Cho/Cr, NAA/Cr, (Lip + Lac)/Cr and mI/Cr in the lesions were: 1.88 (1.24-2.23), 1.32 (1.07-1.58), 32.96 (24.59-47.30) and 0.91 (0.67-1.08), respectively. The medians and interquartile ranges of Cho/Cr, NAA/Cr, (Lip + Lac)/Cr and mI/Cr of control group were 0.84 (0.704-0.98), 2.00 (1.80-2.18), 0.90 (0.74-0.99) and 0.26 (0.18-0.31), respectively. There were statistically significant differences of the measures between the lesions and the control regions (Z=-5.932, -6.086, -6.946, -6.984, P<0.01). Conclusions: Multi-voxel 1H MRS can reflect pathological characteristics of CAE. 1H MRS provides metabolic information for diagnosis of CAE and may be a supplement to conventional magnetic resonance examination. (authors)

  18. Vibrio chromosomes share common history

    OpenAIRE

    Gevers Dirk; Chang Sarah; Chang LeeAnn; Kirkup Benjamin C; Polz Martin F

    2010-01-01

    Abstract Background While most gamma proteobacteria have a single circular chromosome, Vibrionales have two circular chromosomes. Horizontal gene transfer is common among Vibrios, and in light of this genetic mobility, it is an open question to what extent the two chromosomes themselves share a common history since their formation. Results Single copy genes from each chromosome (142 genes from chromosome I and 42 genes from chromosome II) were identified from 19 sequenced Vibrionales genomes ...

  19. Synthesis and antifungal activity of 2H-1,4-benzoxazin-3(4H)-one derivatives.

    Science.gov (United States)

    Śmist, Małgorzata; Kwiecień, Halina; Krawczyk, Maria

    2016-06-01

    A series of 2-alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-l) was easily synthesized by two-step process involving O-alkylation of 2-nitrophenols with methyl 2-bromoalkanoates and next "green" catalytic reductive cyclization of the obtained 2-nitro ester intermediates (3a-l). Further, 6,7-dibromo (5a-c) and N-acetyl (6) derivatives were prepared by bromination and acetylation of unsubstituted 2-alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-c). The novel compounds (3a-l, 4d-l, 5a-c and 6) were fully characterized by spectroscopic methods (MS, (1)H and (13)C NMR). 2-Alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-l, 5a-c and 6) were screened for antifungal activity. Preliminary assays were performed using two methods: in vitro against seven phytopathogenic fungi-Botrytis cinerea, Phythophtora cactorum, Rhizoctonia solani, Phoma betae, Fusarium culmorum, Fusarium oxysporum and Alternaria alternata-and in vivo against barley powdery mildew Blumeria graminis. The tested compounds displayed moderate to good antifungal activity at high concentration (200 mg L(-1)). The most potent compounds were 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a), 2-ethyl-7-fluoro-2H-1,4-benzoxazin-3(4H)-one (4g) and 4-acetyl-2-ethyl-2H-1,4-benzoxazin-3(4H)-one (6), which completely inhibited the mycelial growth of seven agricultural fungi at the concentration of 200 mg L(-1) in the in vitro tests. Moreover, 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a) and 4-acetyl-2-ethyl-2H-1,4-benzoxazin-3(4H)-one (6) were also screened for antifungal activity at concentrations of 100 mg L(-1) and 20 mg L(-1). In the concentration of 100 mg L(-1), the N-acetyl derivative (6) completely inhibited the growth of three strains of fungi (F. culmorum, P. cactorum and R. solani), while 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a) completely inhibited only R. solani strain. At the concentration of 20 mg L(-1), compound 6 showed good activity only against P. cactorum strain (72%). PMID:26963527

  20. Determination of Isotopic Abundance of 2H, 13C, 18O, and 37Cl in Biofield Energy Treated Dichlorophenol Isomers

    OpenAIRE

    Mahendra Kumar Trivedi

    2015-01-01

    2,4-Dichlorophenol (2,4-DCP) and 2,6-dichlorophenol (2,6-DCP) are two isomers of dichlorophenols, have been used as preservative agents for wood, paints, vegetable fibers and as intermediates in the production of pharmaceuticals and dyes. The aim of the study was to evaluate the impact of biofield energy treatment on the isotopic abundance ratios of 2H/1H or 13C/12C, and 18O/16O or 37Cl/35Cl, in dichlorophenol isomers using gas chromatography-mass spectrometry (GC-MS). The 2,4- DCP and 2,6-DC...

  1. Search for the isomers of C2H3NO and C2H3NS in the Interstellar Medium

    Science.gov (United States)

    Etim, Emmanuel; Chakrabarti, Sandip Kumar; Das, Ankan; Gorai, Prasanta; Arunan, Elangannan

    2016-07-01

    With about 40% of all the known interstellar and circumstellar molecules having their isomeric analogues as known astromolecules, isomerism remains one of the leading themes in interstellar chemistry. In this regard, the recent detection of methyl isocyanate (with a number of isomeric analogues) in the Sgr B2(N) giant molecular cloud opens a new window for the possible astronomical detection of other C_2H_3NO isomers. The present work looks at the possibility of detecting other isomers of methyl isocyanate by considering different factors such as thermodynamic stability of the different isomers with respect to the Energy, Stability and Abundance (ESA) relationship, effect of interstellar hydrogen bonding with respect to the formation these isomers on the surface of the interstellar dust grains, possible formation routes for these isomers, spectroscopic parameters for potential astromolecules among these isomers, chemical modeling among other studies. The same studies are repeated for the C_2H_3NS isomers which are the isoelectroninc analogues of the C_2H_3NO isomers taking into account the unique chemistry of S and O-containing interstellar molecular species. Among the C_2H_3NS isomers, methyl isothiocyanate remains the most potential candidate for astronomical observation.

  2. Sequential cloning of chromosomes

    Energy Technology Data Exchange (ETDEWEB)

    Lacks, S.A.

    1991-12-31

    A method for sequential cloning of chromosomal DNA and chromosomal DNA cloned by this method are disclosed. The method includes the selection of a target organism having a segment of chromosomal DNA to be sequentially cloned. A first DNA segment, having a first restriction enzyme site on either side. homologous to the chromosomal DNA to be sequentially cloned is isolated. A first vector product is formed by ligating the homologous segment into a suitably designed vector. The first vector product is circularly integrated into the target organism`s chromosomal DNA. The resulting integrated chromosomal DNA segment includes the homologous DNA segment at either end of the integrated vector segment. The integrated chromosomal DNA is cleaved with a second restriction enzyme and ligated to form a vector-containing plasmid, which is replicated in a host organism. The replicated plasmid is then cleaved with the first restriction enzyme. Next, a DNA segment containing the vector and a segment of DNA homologous to a distal portion of the previously isolated DNA segment is isolated. This segment is then ligated to form a plasmid which is replicated within a suitable host. This plasmid is then circularly integrated into the target chromosomal DNA. The chromosomal DNA containing the circularly integrated vector is treated with a third, retrorestriction enzyme. The cleaved DNA is ligated to give a plasmid that is used to transform a host permissive for replication of its vector. The sequential cloning process continues by repeated cycles of circular integration and excision. The excision is carried out alternately with the second and third enzymes.

  3. Igf2-H19, an imprinted tandem gene, is an important regulator of embryonic development, a guardian of proliferation of adult pluripotent stem cells, a regulator of longevity, and a ‘passkey’ to cancerogenesis

    Directory of Open Access Journals (Sweden)

    Mariusz Z. Ratajczak

    2012-07-01

    Full Text Available The insulin-like growth factor-2 (Igf2-H19 locus encodes important paternally imprinted genes that govern normal embryonic development. While Igf-2 encodes IGF2, which is an autocrine/paracrine mitogen,  transcription of H19 gives rise to non-coding mRNA that is a precursor of several microRNAs (miRNAs that negatively affect cell proliferation. The proper imprinting of a differentially methylated region (DMR within this locus, with methylation of the paternal chromosome and a lack of methylation on the maternal chromosome, regulates expression of both of these genes so that Igf2 is transcribed only from the paternal chromosome and H19 only from the maternal chromosome. There is growing evidence that this ‘Yin-Yang’ locus regulates embryonic development. Furthermore, recent evidence indicates that erasure of imprinting (hypomethylation of the Igf2-H19 locus on both chromosomes, which leads to downregulation of Igf2 and upregulation of H19 expression, plays an important role in regulating quiescence of pluripotent stem cells in adult organisms, and may be involved in the regulation of lifespan. In contrast, hypermethylation of this locus on both chromosomes (loss of imprinting results in Igf2 overexpression and is observed in several malignancies. In this review, we will discuss the biological consequences of changes in Igf2-H19 expression.

  4. A new chromosome was born: comparative chromosome painting in Boechera.

    Science.gov (United States)

    Koch, Marcus A

    2015-09-01

    Comparative chromosome painting is a powerful tool to study the evolution of chromosomes and genomes. Analyzing karyotype evolution in cruciferous plants highlights the origin of aberrant chromosomes in apomictic Boechera and further establishes the cruciferous plants as important model system for our understanding of plant chromosome and genome evolution. PMID:26228436

  5. Radio observations of the CMa OB1 H II regions

    International Nuclear Information System (INIS)

    A sensitive 100 x 150 13-cm map made of the CMa OB1 H II regions' radio emission shows a strong similarity to Hα emission photographs. Sharpless 296 is shown to consist of a prominent central and western arc completed by a weaker southern loop, and with a faint northern bar. The emission is thermal, superimposed over a predominantly non-thermal background. The H142α recombination line has been detected at eight positions in S296, and in S292 and S297. The average electron temperature in S296 is 6900 +- 1300 K. The UV fluxes from the CMa OB1 stars account for the observed emission measures of the H II regions. The H142α 1sr velocities indicate that the ionized material is in contact with the molecular clouds. (author)

  6. 4-Methyl-5-phenyl-1H-pyrazol-3-ol

    Directory of Open Access Journals (Sweden)

    Tara Shahani

    2010-07-01

    Full Text Available The title compound, C10H10N2O, crystallizes with two independent molecules in the asymmetric unit, having closely comparable geometries. The dihedral angles between the 1H-pyrazole and benzene rings in the two molecules are 39.57 (14 and 41.95 (13°. The two molecules are each connected to neighbouring molecules by pairs of intermolecular O—H...N hydrogen bonds, forming dimers with R22(8 ring motifs. These dimers are further linked into R44(10 ring motifs by intermolecular N—H...O hydrogen bonds, forming chains along [101]. The crystal structure is further stabilized by a C—H...π interaction.

  7. Synthesis and structure of [(UO2(OH)(C6NO2H4)(C6NO2H5)

    International Nuclear Information System (INIS)

    [(UO2(OH)(C6NO2H4)(C6NO2H5)] (1) monocrystals are synthesized and studied by the method of x-ray diffraction. The compound is crystallized into monoclinic lattice with parameters: space group P21/n, Z=2, a=8.789(1), b=16.635(7), c=9.238(1), β=97.89(1). Basic structural units of the crystal are chains with composition coincidental with composition of compound belonging to crystal-chemical group AM2B2M1 (A=UO22+; M2=OH-, B2 and M1 - molecules of isonicotinic acid or isonicotinate-ions) of uranyl complexes. Reciprocal packing of the chains into three-dimensional skeleton is determined by hydrogen bonds

  8. (H)N(COCA)NH and HN(COCA)NH experiments for 1H-15N backbone assignments in 13C/15N-labeled proteins

    Energy Technology Data Exchange (ETDEWEB)

    Bracken, Clay; Palmer, Arthur G. III [Columbia University, Department of Biochemistry and Molecular Biophysics (United States); Cavanagh, John [New York State Department of Health, NMR Structural Biology Facility, Wadsworth Center (United States)

    1997-01-15

    Triple resonance HN(COCA)NH pulse sequences for correlating 1H(i), 15N(i),1H(i-1), and 15N(i-1) spins that utilize overlapping coherence transfer periods provide increased sensitivity relative to pulse sequences that utilize sequential coherence transfer periods. Although the overlapping sequence elements reduce the overall duration of the pulse sequences, the principal benefit derives from a reduction in the number of 180 deg. pulses. Two versions of the technique are presented: a 3D (H)N(COCA)NH experiment that correlates 15N(i),1H(i-1), and 15N(i-1) spins, and a 3D HN(COCA)NH experiment that correlates 1H(i), 15N(i),1H(i-1), and 15N(i-1) spins by simultaneously encoding the 1H(i) and 15N(i) chemical shifts during the t1 evolution period. The methods are demonstrated on a 13C/15N-enriched sample of the protein ubiquitin and are easily adapted for application to 2H/13C/15N-enriched proteins.

  9. Synthesis of fatty trichloromethyl-{beta}-diketones and new 1H-Pyrazoles as unusual FAMEs and FAEEs

    Energy Technology Data Exchange (ETDEWEB)

    Flores, Alex F.C.; Souto, Alynne A.; Malavolta, Juliana L.; Flores, Darlene C., E-mail: alex.fcf@ufsm.br [Universidade Federal de Santa Maria (UFSM), RS (Brazil). Departamento de Quimica; Blanco, Rogerio F. [Uniao de Ensino do Sudoeste do Parana (UNISEP), Dois Vizinhos, PR (Brazil). Faculdade de Farmacia

    2013-12-01

    The efficient synthesis of new fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones [Cl{sub 3}CC(O)C(R{sup 2})=C(R{sup 1})OMe, where R{sup 1} = n-hexyl, heptyl, nonyl, undecyl, tridecyl and R{sup 2} = H] and 1,1,1-trichloro-2,4-alkanediones [Cl{sub 3}CC(O)CHR{sup 2}C(O)R{sup 1}, where R{sup 1} = n-pentyl and R{sup 2} = Me, R{sup 1} = Et and R{sup 2} = n-butyl, R{sup 1} = n-butyl and R{sup 2} = n-propyl] in good yields (85-95%) from acetal acylation with trichloroacetyl chloride is reported. The fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones and 1,1,1-trichloro-2,4-alkanediones were reacted with hydrazine hydrochloride, leading to respective {sup 1}H-pyrazole-5-carboxylates, unusual class of fatty acid methyl (FAMEs) and ethyl (FAEEs) esters. Their structures were confirmed by elemental analysis and {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR). The fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones and {sup 1}H-pyrazole derivatives are new oleochemicals with potentially interesting and differential properties. (author)

  10. Solution NMR Experiment for Measurement of (15)N-(1)H Residual Dipolar Couplings in Large Proteins and Supramolecular Complexes.

    Science.gov (United States)

    Eletsky, Alexander; Pulavarti, Surya V S R K; Beaumont, Victor; Gollnick, Paul; Szyperski, Thomas

    2015-09-01

    NMR residual dipolar couplings (RDCs) are exquisite probes of protein structure and dynamics. A new solution NMR experiment named 2D SE2 J-TROSY is presented to measure N-H RDCs for proteins and supramolecular complexes in excess of 200 kDa. This enables validation and refinement of their X-ray crystal and solution NMR structures and the characterization of structural and dynamic changes occurring upon complex formation. Accurate N-H RDCs were measured at 750 MHz (1)H resonance frequency for 11-mer 93 kDa (2)H,(15)N-labeled Trp RNA-binding attenuator protein tumbling with a correlation time τc of 120 ns. This is about twice as long as that for the most slowly tumbling system, for which N-H RDCs could be measured, so far, and corresponds to molecular weights of ∼200 kDa at 25 °C. Furthermore, due to the robustness of SE2 J-TROSY with respect to residual (1)H density from exchangeable protons, increased sensitivity at (1)H resonance frequencies around 1 GHz promises to enable N-H RDC measurement for even larger systems. PMID:26293598

  11. Chimpanzee chromosome 13 is homologous to human chromosome 2p

    Energy Technology Data Exchange (ETDEWEB)

    Sun, N. C.; Sun, C. R.Y.; Ho, T.

    1977-01-01

    Similarities between human and chimpanzee chromosomes are shown by chromosome banding techniques and somatic cell hybridization techniques. Cell hybrids were obtained from the chimpanzee lymphocyte LE-7, and the Chinese hamster mutant cell, Gal-2. Experiments showed that the ACPL, MDHs, and Gal-Act genes could be assigned to chimpanzee chromosome 13, and since these genes have been assigned to human chromosme 2p, it is suggested that chimpanzee chromosome 13 is homologous to human chromosome 2p. (HLW)

  12. Chromosome condensation and segmentation

    International Nuclear Information System (INIS)

    Some aspects of chromosome condensation in mammalians -humans especially- were studied by means of cytogenetic techniques of chromosome banding. Two further approaches were adopted: a study of normal condensation as early as prophase, and an analysis of chromosome segmentation induced by physical (temperature and γ-rays) or chemical agents (base analogues, antibiotics, ...) in order to show out the factors liable to affect condensation. Here 'segmentation' means an abnormal chromosome condensation appearing systematically and being reproducible. The study of normal condensation was made possible by the development of a technique based on cell synchronization by thymidine and giving prophasic and prometaphasic cells. Besides, the possibility of inducing R-banding segmentations on these cells by BrdU (5-bromodeoxyuridine) allowed a much finer analysis of karyotypes. Another technique was developed using 5-ACR (5-azacytidine), it allowed to induce a segmentation similar to the one obtained using BrdU and identify heterochromatic areas rich in G-C bases pairs

  13. Chromosomal abnormalities and autism

    Directory of Open Access Journals (Sweden)

    Farida El-Baz

    2016-01-01

    Conclusion: Chromosomal abnormalities were not detected in the studied autistic children, and so the relation between the genetics and autism still needs further work up with different study methods and techniques.

  14. Chromosome numbers in Bromeliaceae

    OpenAIRE

    2000-01-01

    The present study reports chromosome numbers of 17 species of Bromeliaceae, belonging to the genera Encholirium, Bromelia, Orthophytum, Hohenbergia, Billbergia, Neoglaziovia, Aechmea, Cryptanthus and Ananas. Most species present 2n = 50, however, Bromelia laciniosa, Orthophytum burle-marxii and O. maracasense are polyploids with 2n = 150, 2n = 100 and 2n = 150, respectively, while for Cryptanthus bahianus, 2n = 34 + 1-4B. B chromosomes were observed in Bromelia plumieri and Hohenbergia aff. u...

  15. Nuclear magnetic resonance study of the ferroelastic phase transition of order-disorder type in [N(C2H5)4]2CdCl4

    Science.gov (United States)

    Lim, Ae Ran; Kim, Min Soo; Lim, Kye-Young

    2016-08-01

    This study uses nuclear magnetic resonance (NMR) techniques to examine the detailed changes in [N(C2H5)4]2CdCl4 around its phase transition at the temperature TC = 284 K. The chemical shifts and spin-lattice relaxation times in the rotating frame (T1ρ) were determined from 1H magic angle spinning (MAS) NMR and 13C cross-polarization (CP)/MAS NMR spectra. The two sets of inequivalent 1H and 13C nuclei in CH3 and CH2 were distinguished. A ferroelastic phase transition was observed at TC, without structural symmetry change. The phase transition is mainly attributed to the orientational ordering of the [N(C2H5)4]+ cations, and the spectral splitting at low temperature is associated with different ferroelastic domains.

  16. Micromechanics of human mitotic chromosomes

    International Nuclear Information System (INIS)

    Eukaryote cells dramatically reorganize their long chromosomal DNAs to facilitate their physical segregation during mitosis. The internal organization of folded mitotic chromosomes remains a basic mystery of cell biology; its understanding would likely shed light on how chromosomes are separated from one another as well as into chromosome structure between cell divisions. We report biophysical experiments on single mitotic chromosomes from human cells, where we combine micromanipulation, nano-Newton-scale force measurement and biochemical treatments to study chromosome connectivity and topology. Results are in accord with previous experiments on amphibian chromosomes and support the 'chromatin network' model of mitotic chromosome structure. Prospects for studies of chromosome-organizing proteins using siRNA expression knockdowns, as well as for differential studies of chromosomes with and without mutations associated with genetic diseases, are also discussed

  17. Vibrio chromosomes share common history

    Directory of Open Access Journals (Sweden)

    Gevers Dirk

    2010-05-01

    Full Text Available Abstract Background While most gamma proteobacteria have a single circular chromosome, Vibrionales have two circular chromosomes. Horizontal gene transfer is common among Vibrios, and in light of this genetic mobility, it is an open question to what extent the two chromosomes themselves share a common history since their formation. Results Single copy genes from each chromosome (142 genes from chromosome I and 42 genes from chromosome II were identified from 19 sequenced Vibrionales genomes and their phylogenetic comparison suggests consistent phylogenies for each chromosome. Additionally, study of the gene organization and phylogeny of the respective origins of replication confirmed the shared history. Conclusions Thus, while elements within the chromosomes may have experienced significant genetic mobility, the backbones share a common history. This allows conclusions based on multilocus sequence analysis (MLSA for one chromosome to be applied equally to both chromosomes.

  18. 1-Benzyl-1H-benzotriazole 3-oxide–1-hydroxy-1H-benzotriazole (1/1

    Directory of Open Access Journals (Sweden)

    P. Selvarathy Grace

    2012-08-01

    Full Text Available In the title compound, C6H5N3O·C13H11N3O, the benzotriazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A molecule is close to being planar (r.m.s. deviation = 0.011 Å; its mean plane forms a dihedral angle of 67.56 (7° with that of the attached phenyl ring. The benzotriazole ring system in the 1-hydroxybenzotriazole (B molecule is also close to being planar (r.m.s. deviation = 0.010 Å. In the crystal, weak C—H...O and C—H...π interactions are present. The A and B molecules are linked by an O—H...N hydrogen bond.

  19. 1H NMR spectroscopic identification of a glue sniffing biomarker.

    Science.gov (United States)

    Kwon, Bobae; Kim, Siwon; Kim, Sosun; Lee, Dong-Kye; Park, Yu-Jin; Kim, Myung-Duck; Lee, Jae-Shin; Kim, Suhkmann

    2011-06-15

    Organic solvent abuse typically involves sniffing organic solvents to experience the mind-altering conditions they induce. In Republic of Korea, organic solvent abuse is a serious social problem, especially among teenagers. Several studies have addressed the effects of organic solvent abuse on mind and body, but there are no simple methods by which such abuse can be positively identified. In this report, we describe a method for analyzing toluene metabolites (toluene is the main ingredient of glue) in glue-sniffers' urine using (1)H NMR spectroscopy. Toluene is a commonly used solvent in the rubber, paint, plastics, leather, printing, and chemical industries. Inhaled toluene is metabolized to hippuric acid in the liver and excreted in the urine. Hippuric acid is known as a good biomarker for biological monitoring of toluene exposure. We have scanned hippuric acid and other toluene metabolites by NMR spectroscopy and performed statistical multivariate analysis of the data. Based on this analysis, we sought to determine parameters by which glue-sniffing (toluene inhalation) behavior may be verified. We also demonstrate the use of a pattern recognition method for accurate and efficient analysis of NMR data. In comparison to conventional methods, such as mass spectroscopy coupled with liquid chromatography or gas chromatography, nuclear magnetic resonance spectroscopy has several advantages, including simple sample preparation, non-destructive sampling, accuracy, short acquisition time, and reproducibility in the determination of urinary hippuric acid. PMID:21316881

  20. 1H homonuclear editing of rat brain using semiselective pulses

    International Nuclear Information System (INIS)

    The authors have used a semiselective Hahn spin-echo sequence of the form (1331)-tau-(2662)-tau-AQ, delivered by a surface coil to obtain high-resolution 1H NMR spectra from the brains of intact dead rats. This sequence gave suppression of the tissue water resonance by a factor of 80,000 when tau = 68 ms. Delivery of a frequency-selective Dante pulse train to the alpha-CH resonance of lactate at 4.11 ppm, simultaneously with the 2662 refocusing pulse, altered the j-modulation in the spin-coupled beta-CH3 protons. Subtraction of this spectrum from one in which the Dante was ineffective gave an edited spectrum containing only the beta-CH3 resonance of lactate at 1.31 ppm. When the position of the Dante was shifted to 3.78 ppm to selectively invert the alpha-CH protons of alanine, an edited spectrum of alanine was obtained

  1. A 1H NMR study of human calcitonin in solution

    International Nuclear Information System (INIS)

    Human calcitonin (hCT) has been investigated by NMR at 400 MHz in DMSOd6 and in an 85% DMSOd6-15% 1H2O (v/v) cryoprotective mixture. All backbone and side-chain resonances have been assigned and the secondary structure has been determined in both solvents. In DMSOd6, the simultaneous presence of dαN, dNN, and some specific weak medium-range nuclear Overhauser effects, together with the amide temperature coefficients and the analysis of the NH-αCH spin-spin coupling constants, indicates that hCT is highly flexible but with three domains (comprising segments Asn3-Gly10, Gln14-Thr21, and Thr25-Ala31) in extended conformations which dynamically transform into isolated β turns in the N- and C-terminal regions and into adjacent tight turns, resembling a 310 helix structure, in the central part. The DMSO-water mixture rigidifies the polypeptide chain, favoring and ordered, extended conformation. NOESY data indicate the presence of a short double-stranded antiparallel β sheet in the central region made by residues 16-21 and connected by a two-residue hairpin loop formed by residues 18 and 19. Two tight turns, formed by residues 3-6 and 28-31, were also identified. The central β sheet does not favor an amphipathic distribution of the residues as found for salmon calcitonin. This is in agreement with the smaller tendency of hCT to form the amphipathic α helix, postulated to be responsible for the interaction of hCT with lipids. The possible role of the cis-trans isomerism of Pro is discussed

  2. Electrochromic properties of multicolored novel polymer synthesized via combination of benzotriazole and N-functionalized 2,5-di(2-thienyl)-1H-pyrrole units

    International Nuclear Information System (INIS)

    Synthesis of new conducting polymers is desired since their electrochemical and optical properties enable them to be used as active layers in many device applications. Benzotriazole and N-functionalized 2,5-di(2-thienyl)-1H-pyrrole (SNS Series) containing polymers showed very promising results as electrochromic materials. In order to observe the effect of the combination of these two units, three new monomers; 2-(6-(2,5-bis(5-methylthiophen-2-yl)-1H-pyrrol-1-yl)hexyl)-4,7-di (thiophen-2-yl)-2H benzo[d][1,2,3]triazole (M1), 2-(6-(2,5-di(thiophen-2-yl)-1H-pyrrol-1-yl)hexyl)-4,7-di(thiophen-2-yl) -2H-benzo[d][1,2,3]triazole (M2) and 2-(6-(2,5-di(thiophen-2-yl)-1H-pyrrol-1-yl)hexyl)-4,7-bis (5-methylthiophen-2-yl)-2H-benzo[d][1,2,3]triazole (M3) were synthesized. To better characterize the electronic and spectroscopic properties of the monomers, density functional theory (DFT) and its time-dependent generalization (TD-DFT) were used to calculate their vertical ionization potentials, vertical electron affinity and to simulate and interpret their infrared and UV-vis spectra. The monomers were electrochemically polymerized and the resultant polymers were characterized with cyclic voltammetry and UV-vis-NIR spectroscopy techniques. An electrochromic device was constructed with electrochemical polymer of M2. The device switched between red and blue colors and showed exceptional optical memory

  3. Chromosome numbers in Bromeliaceae

    Directory of Open Access Journals (Sweden)

    Cotias-de-Oliveira Ana Lúcia Pires

    2000-01-01

    Full Text Available The present study reports chromosome numbers of 17 species of Bromeliaceae, belonging to the genera Encholirium, Bromelia, Orthophytum, Hohenbergia, Billbergia, Neoglaziovia, Aechmea, Cryptanthus and Ananas. Most species present 2n = 50, however, Bromelia laciniosa, Orthophytum burle-marxii and O. maracasense are polyploids with 2n = 150, 2n = 100 and 2n = 150, respectively, while for Cryptanthus bahianus, 2n = 34 + 1-4B. B chromosomes were observed in Bromelia plumieri and Hohenbergia aff. utriculosa. The chromosome number of all species was determined for the first time, except for Billbergia chlorosticta and Cryptanthus bahianus. Our data supports the hypothesis of a basic number of x = 25 for the Bromeliaceae family and decreasing aneuploidy in the genus Cryptanthus.

  4. Those amazing dinoflagellate chromosomes

    Institute of Scientific and Technical Information of China (English)

    PETER J RIZZO

    2003-01-01

    Dinoflagellates are a very large and diverse group of eukaryotic algae that play a major role in aquatic food webs of both fresh water and marine habitats. Moreover, the toxic members of this group pose a health threat in the form of red tides. Finally, dinoflagellates are of great evolutionary importance,because of their taxonomic position, and their unusual chromosome structure and composition. While the cytoplasm of dinoflagellates is typically eukaryotic, the nucleus is unique when compared to the nucleus of other eukaryotes. More specifically, while the chromosomes of all other eukaryotes contain histones,dinoflagellate chromosomes lack histones completely. There are no known exceptions to this observation: all dinoflagellates lack histones, and all other eukaryotes contain histones. Nevertheless, dinoflagellates remain a relatively unstudied group of eukaryotes.

  5. Detailed Studies of Hydrocarbon Radicals: C2H Dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Wittig, Curt

    2014-10-06

    A novel experimental technique was examined whose goal was the ejection of radical species into the gas phase from a platform (film) of cold non-reactive material. The underlying principle was one of photo-initiated heat release in a stratum that lies below a layer of CO2 or a layer of amorphous solid water (ASW) and CO2. A molecular precursor to the radical species of interest is deposited near or on the film's surface, where it can be photo-dissociated. It proved unfeasible to avoid the rampant formation of fissures, as opposed to large "flakes." This led to many interesting results, but resulted in our aborting the scheme as a means of launching cold C2H radical into the gas phase. A journal article resulted that is germane to astrophysics but not combustion chemistry.

  6. 2H NMR studies of supercooled and glassy aspirin

    Science.gov (United States)

    Nath, R.; Nowaczyk, A.; Geil, B.; Bohmer, R.

    2007-11-01

    Acetyl salicylic acid, deuterated at the methyl group, was investigated using 2H-NMR in its supercooled and glassy states. Just above the glass transition temperature the molecular reorientations were studied using stimulated-echo spectroscopy and demonstrated a large degree of similarity with other glass formers. Deep in the glassy phase the NMR spectra look similar to those reported for the crystal [A. Detken, P. Focke, H. Zimmermann, U. Haeberlen, Z. Olejniczak, Z. T. Lalowicz, Z. Naturforsch. A 50 (1995) 95] and below 20 K they are indicative for rotational tunneling with a relatively large tunneling frequency. Measurements of the spin-lattice relaxation times for temperatures below 150 K reveal a broad distribution of correlation times in the glass. The dominant energy barrier characterizing the slow-down of the methyl group is significantly smaller than the well defined barrier in the crystal.

  7. Doping dependent plasmon dispersion in 2 H -transition metal dichalcogenides

    Science.gov (United States)

    Müller, Eric; Büchner, Bernd; Habenicht, Carsten; König, Andreas; Knupfer, Martin; Berger, Helmuth; Huotari, Simo

    2016-07-01

    We report the behavior of the charge carrier plasmon of 2 H -transition metal dichalcogenides (TMDs) as a function of intercalation with alkali metals. Intercalation and concurrent doping of the TMD layers have a substantial impact on plasmon energy and dispersion. While the plasmon energy shifts are related to the intercalation level as expected within a simple homogeneous electron gas picture, the plasmon dispersion changes in a peculiar manner independent of the intercalant and the TMD materials. Starting from a negative dispersion, the slope of the plasmon dispersion changes sign and grows monotonously upon doping. Quantitatively, the increase of this slope depends on the orbital character (4 d or 5 d ) of the conduction bands, which indicates a decisive role of band structure effects on the plasmon behavior.

  8. 2H and 18O Freshwater Isoscapes of Scotland

    Science.gov (United States)

    Meier-Augenstein, Wolfram; Hoogewerff, Jurian; Kemp, Helen; Frew, Danny

    2013-04-01

    Scotland's freshwater lochs and reservoirs provide a vital resource for sustaining biodiversity, agriculture, food production as well as for human consumption. Regular monitoring of freshwaters by the Scottish Environment Protection Agency (SEPA) fulfils legislative requirements with regards to water quality but new scientific methods involving stable isotope analysis present an opportunity combining these mandatory monitoring schemes with fundamental research to inform and deliver on current and nascent government policies [1] through gaining a greater understanding of Scottish waters and their importance in the context of climate change, environmental sustainability and food security. For example, 2H and 18O isoscapes of Scottish freshwater could be used to underpin research and its applications in: • Climate change - Using longitudinal changes in the characteristic isotope composition of freshwater lochs and reservoirs as proxy, isoscapes will provide a means to assess if and how changes in temperature and weather patterns might impact on precipitation patterns and amount. • Scottish branding - Location specific stable isotope signatures of Scottish freshwater have the potential to be used as a tool for provenancing and thus protecting premium Scottish produce such as Scottish beef, Scottish soft fruit and Scottish Whisky. During 2011 and 2012, with the support of SEPA more than 110 samples from freshwater lochs and reservoirs were collected from 127 different locations across Scotland including the Highlands and Islands. Here we present the results of this sampling and analysis exercise isotope analyses in form of 2H and 18O isoscapes with an unprecedented grid resolution of 26.5 × 26.5 km (or 16.4 × 16.4 miles). [1] Adaptation Framework - Adapting Our Ways: Managing Scotland's Climate Risk (2009): Scotland's Biodiversity: It's in Your Hands - A strategy for the conservation and enhancement of biodiversity in Scotland (2005); Recipe For Success - Scotland

  9. Nonempirical LCAO-MO-SCF calculations of geometric structure and force field of Be2H4 molecule and Be2H3+ ion

    International Nuclear Information System (INIS)

    Determination of equilibrium geometry, of the most general force field and frequencies of normal oscillations of Be2H4 molecule and Be2H3+ ion have been carried out. The ''Orbital 8'' programme has been used for nonempirical calculations on the basis of linear combinations of nodalless gauss functions. It is shown that flat bridge Dsub(2h) symmetry configuration is the only one of nuclei in Be2H4 molecule and linear configuration of D infinity h symmetry in Be2H3+ ion. A complete set of molecular constants of Be2H4 and Be2H3+ is obtained, which permits to carry out calculations of thermodynamical functions of these compounds by the methods of statistical physics

  10. Chromosomal rearrangements in cattle and pigs revealed by chromosome microdissection and chromosome painting

    Directory of Open Access Journals (Sweden)

    Yerle Martine

    2003-11-01

    Full Text Available Abstract A pericentric inversion of chromosome 4 in a boar, as well as a case of (2q-;5p+ translocation mosaicism in a bull were analysed by chromosome painting using probes generated by conventional microdissection. For the porcine inversion, probes specific for p arms and q arms were produced and hybridised simultaneously on metaphases of a heterozygote carrier. In the case of the bovine translocation, two whole chromosome probes (chromosome 5, and derived chromosome 5 were elaborated and hybridised independently on chromosomal preparations of the bull who was a carrier of the mosaic translocation. The impossibility of differentiating chromosomes 2 and der(2 from other chromosomes of the metaphases did not allow the production of painting probes for these chromosomes. For all experiments, the quality of painting was comparable to that usually observed with probes obtained from flow-sorted chromosomes. The results obtained allowed confirmation of the interpretations proposed with G-banding karyotype analyses. In the bovine case, however, the reciprocity of the translocation could not be proven. The results presented in this paper show the usefulness of the microdissection technique for characterising chromosomal rearrangements in species for which commercial probes are not available. They also confirmed that the main limiting factor of the technique is the quality of the chromosomal preparations, which does not allow the identification of target chromosomes or chromosome fragments in all cases.

  11. Ab initio study of {sup 2}H(d,{gamma}){sup 4}He, {sup 2}H(d,p){sup 3}H, and {sup 2}H(d,n){sup 4}He reactions and the tensor force

    Energy Technology Data Exchange (ETDEWEB)

    Arai, K.; Aoyama, S.; Suzuki, Y.; Descouvemont, P.; Baye, D. [Division of General Education, Nagaoka National College of Technology, 888 Nishikatakai, Nagaoka, Niigata, 940-8532 (Japan); Center for Academic Information Service, Niigata University, Niigata 950-2181 (Japan); Department of Physics, Niigata University, Niigata 950-2181, Japan and RIKEN Nishina Center, Wako 351-0198 (Japan); Physique Nucleaire Theorique et Physique Mathematique, C.P.229, Universite Libre de Bruxelles, B 1050 Brussels (Belgium); Physique Quantique, CP165/82, Universite Libre de Bruxelles, B-1050 Brussels (Belgium)

    2012-11-12

    The {sup 2}H(d,p){sup 3}H, {sup 2}H(d,n){sup 3}He, and {sup 2}H(d,{gamma}){sup 4}He reactions at low energies are studied with realistic nucleon-nucleon interactions in an ab initio approach. The obtained astrophysical S-factors are all in very good agreement with experiment. The most important channels for both transfer and radiative capture are all found to dominate thanks to the tensor force.

  12. Automated data processing of { 1H-decoupled} 13C MR spectra acquired from human brain in vivo

    Science.gov (United States)

    Shic, Frederick; Ross, Brian

    2003-06-01

    In clinical 13C infusion studies, broadband excitation of 200 ppm of the human brain yields 13C MR spectra with a time resolution of 2-5 min and generates up to 2000 metabolite peaks over 2 h. We describe a fast, automated, observer-independent technique for processing { 1H-decoupled} 13C spectra. Quantified 13C spectroscopic signals, before and after the administration of [1- 13C]glucose and/or [1- 13C]acetate in human subjects are determined. Stepwise improvements of data processing are illustrated by examples of normal and pathological results. Variation in analysis of individual 13C resonances ranged between 2 and 14%. Using this method it is possible to reliably identify subtle metabolic effects of brain disease including Alzheimer's disease and epilepsy.

  13. Diaquabis(4-carboxy-2-ethyl-1H-imidazole-5-carboxylato-κ2N3,O4cadmium dihydrate

    Directory of Open Access Journals (Sweden)

    Gang Zhang

    2011-07-01

    Full Text Available The asymmetric unit of the title compound, [Cd(C7H7N2O42(H2O2]·2H2O, consists of one CdII ion, one 4-carboxy-2-ethyl-1H-imidazole-5-carboxylate anion, one coordinated water molecule and one lattice water molecule. The CdII ion lies on a twofold axis, and is hexacoordinated by four O atoms from water molecules and carboxylate groups and two N atoms from two imidazole rings, in a distorted octahedral arrangement. An extensive framework of N—H...O and O—H...O hydrogen bonds with the participation of coordinated and free water molecules is found in the crystal structure, which contributes to the formation of a three-dimensional structure.

  14. Human organic cation transporter 2 (hOCT2): Inhibitor studies using S2-hOCT2 cells

    International Nuclear Information System (INIS)

    Highly expressed in kidney and located on the basolateral membrane, human organic cation transporter 2 (hOCT2) can transport various compounds (i.e. drugs and toxins) into the proximal tubular cell. Using cultured proximal tubule cells stably expressing hOCT2 (i.e. S2-hOCT2 cells), we sought to probe different compound classes (e.g. analgesics, anti-depressants, anti-psychotics, disinfectant, herbicides, insecticides, local anesthetic, muscarinic acetylcholine receptor antagonist, sedatives, steroid hormone, stimulants and toxins) for their ability to inhibit 14C-TEA uptake, a prototypical OCT2 substrate. Aconitine, amitriptyline, atropine, chlorpyrifos, diazepam, fenitrothion, haloperidol, lidocaine, malathion, mianserin, nicotine and triazolam significantly inhibited 14C-TEA uptake; IC50 values were 59.2, 2.4, 2.0, 20.7, 32.3, 13.2, 32.5, 104.6, 71.1, 17.7, 52.8 and 65.5 μM, respectively. In addition, aconitine, amitriptyline, atropine, chlorpyrifos, fenitrothion, haloperidol, lidocaine, and nicotine displayed competitive inhibition with Ki values of 145.6, 2.5, 2.4, 24.8, 16.9, 51.6, 86.8 and 57.7 μM, respectively. These in vitro data support the notion that compounds pertaining to a wide variety of different drug classes have the potential to decrease renal clearance of drugs transported via hOCT2. Consequently, these data warrant additional studies to probe hOCT2 and its role to influence drug pharmacokinetics

  15. Identification, synthesis and characterization of an unknown process related impurity in eslicarbazepine acetate active pharmaceutical ingredient by LC/ESI-IT/MS, 1H, 13C and 1H-1H COSY NMR

    Institute of Scientific and Technical Information of China (English)

    Saji Thomas; Saroj Kumar Paul; Subhash Chandra Joshi; Vineet Kumar; Ashutosh Agarwal; Dharam Vir

    2014-01-01

    A new impurity was detected during high performance liquid chromatographic (HPLC) analysis of eslicarbazepine acetate active pharmaceutical ingredient. The structure of unknown impurity was postulated based on liquid chromatography mass spectrometry using electrospray ionization and ion trap analyzer (LC/ESI-IT/MS) analysis. Proposed structure of impurity was unambiguously confirmed by synthesis followed by characterization using 1H, 13C nuclear magnetic resonance spectrometry (NMR), 1H-1H correlation spectro-scopy (COSY) and infrared spectroscopy (IR). Based on the spectroscopic and spectrometric data, unknown impurity was characterized as 5-carbamoyl-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl propionate.

  16. Ring chromosome 13

    DEFF Research Database (Denmark)

    Brandt, C A; Hertz, Jens Michael; Petersen, M B; Vogel, F; Noer, H; Mikkelsen, M

    1992-01-01

    A stillborn male child with anencephaly and multiple malformations was found to have the karyotype 46,XY,r(13) (p11q21.1). The breakpoint at 13q21.1, determined by high resolution banding, is the most proximal breakpoint ever reported in patients with ring chromosome 13. In situ hybridisation with...

  17. The Y Chromosome

    Science.gov (United States)

    Offner, Susan

    2010-01-01

    The Y chromosome is of great interest to students and can be used to teach about many important biological concepts in addition to sex determination. This paper discusses mutation, recombination, mammalian sex determination, sex determination in general, and the evolution of sex determination in mammals. It includes a student activity that…

  18. Chromosomes, cancer and radiosensitivity

    Energy Technology Data Exchange (ETDEWEB)

    Samouhos, E.

    1983-08-01

    Some specific chromosomal abnormalities are associated with certain cancers. The earliest description of such a specific association is the one of the Philadelphia chromosome and myelogenous leukemia (1960). Other congenital karyotype abnormalities are associated with specific cancers. Examples of these are Down's syndrome with leukemia and Klinefelter's syndrome with male breast cancer. Genetic diseases of increased chromosome breakage, or of defective chromosome repair, are associated with greatly increased cancer incidence. Three such diseases have been recognized: 1) Fanconi's anemia, associated with leukemias and lymphomas, 2) Bloom's syndrome, associated with acute leukemias and lymphosarcoma, and 3) ataxia telangiectasia, associated with Hodgkin's disease, leukemia, and lymphosarcomas. Ten percent of individuals with ataxia telangiectasia will develop one of these neoplasms. Individuals with certain of these syndromes display an unusually high radiosensitivity. Radiation therapy for cancers has been fatal in patients who received as low as 3000 rad. This remarkable radiosensitivity has been quantitated in cell cultures from such cases. Evidence suggests that the apparent sensitivity may reflect subnormal ability to repair radiation damage. The rapid proliferation of information in this field stems from the interdigitation of many disciplines and specialties, including cytogenetics, cell biology, molecular biology, epidemiology, radiobiology, and several others. This paper is intended for clinicians; it presents a structured analytic scheme for correlating and classifying this multidisciplinary information as it becomes available.

  19. Chromosomes, cancer and radiosensitivity

    International Nuclear Information System (INIS)

    Some specific chromosomal abnormalities are associated with certain cancers. The earliest description of such a specific association is the one of the Philadelphia chromosome and myelogenous leukemia (1960). Other congenital karyotype abnormalities are associated with specific cancers. Examples of these are Down's syndrome with leukemia and Klinefelter's syndrome with male breast cancer. Genetic diseases of increased chromosome breakage, or of defective chromosome repair, are associated with greatly increased cancer incidence. Three such diseases have been recognized: 1) Fanconi's anemia, associated with leukemias and lymphomas, 2) Bloom's syndrome, associated with acute leukemias and lymphosarcoma, and 3) ataxia telangiectasia, associated with Hodgkin's disease, leukemia, and lymphosarcomas. Ten percent of individuals with ataxia telangiectasia will develop one of these neoplasms. Individuals with certain of these syndromes display an unusually high radiosensitivity. Radiation therapy for cancers has been fatal in patients who received as low as 3000 rad. This remarkable radiosensitivity has been quantitated in cell cultures from such cases. Evidence suggests that the apparent sensitivity may reflect subnormal ability to repair radiation damage. The rapid proliferation of information in this field stems from the interdigitation of many disciplines and specialties, including cytogenetics, cell biology, molecular biology, epidemiology, radiobiology, and several others. This paper is intended for clinicians; it presents a structured analytic scheme for correlating and classifying this multidisciplinary information as it becomes available

  20. Chromosome Morphology in Kniphofia.

    Directory of Open Access Journals (Sweden)

    J. M. J de Wet

    1960-12-01

    Full Text Available A number of species and varieties of the genus  Kniphofia (Liliaceae were studied cytologically. The somatic chromosome number is  2n = 12 in all the species. This is also true in  Notosceptrum natalense Baker.

  1. Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-ylmethyl]sulfanyl}ethylamino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III nitrate dihydrate

    Directory of Open Access Journals (Sweden)

    G. M. Golzar Hossain

    2013-07-01

    Full Text Available The asymmetric unit of the title hydrated salt, (C10H18N8S22[BiCl6]NO3·2H2O, contains two independent 3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-ylmethyl]sulfanyl}ethylamino]-1H-1,2,4-triazol-4-ium cations, one hexachloridobismuthate anion, one nitrate anion and two solvent water molecules. The dihedral angles between the imidazole and triazole rings in the cations are 44.7 (3 and 89.4 (3°. The BiIII ion is coordinated by six chloride ligands in a slightly distorted octahedral geometry. In each cation, an intramolecular N—H...S hydrogen bond is observed. In the crystal, N—H...Cl, N—H...S, N—H...O, O—H...Cl, O—H...S and O—H...O hydrogen bonds connect the components into a three-dimensional network. In addtion, π–π stacking interactions between inversion-related triazole rings are observed, with a centroid–centroid distance of 3.322 (3 Å

  2. Telomere dysfunction and chromosome instability

    Energy Technology Data Exchange (ETDEWEB)

    Murnane, John P., E-mail: jmurnane@radonc.ucsf.edu [Department of Radiation Oncology, University of California San Francisco, 2340 Sutter Street, San Francisco, CA 94143-1331 (United States)

    2012-02-01

    The ends of chromosomes are composed of a short repeat sequence and associated proteins that together form a cap, called a telomere, that keeps the ends from appearing as double-strand breaks (DSBs) and prevents chromosome fusion. The loss of telomeric repeat sequences or deficiencies in telomeric proteins can result in chromosome fusion and lead to chromosome instability. The similarity between chromosome rearrangements resulting from telomere loss and those found in cancer cells implicates telomere loss as an important mechanism for the chromosome instability contributing to human cancer. Telomere loss in cancer cells can occur through gradual shortening due to insufficient telomerase, the protein that maintains telomeres. However, cancer cells often have a high rate of spontaneous telomere loss despite the expression of telomerase, which has been proposed to result from a combination of oncogene-mediated replication stress and a deficiency in DSB repair in telomeric regions. Chromosome fusion in mammalian cells primarily involves nonhomologous end joining (NHEJ), which is the major form of DSB repair. Chromosome fusion initiates chromosome instability involving breakage-fusion-bridge (B/F/B) cycles, in which dicentric chromosomes form bridges and break as the cell attempts to divide, repeating the process in subsequent cell cycles. Fusion between sister chromatids results in large inverted repeats on the end of the chromosome, which amplify further following additional B/F/B cycles. B/F/B cycles continue until the chromosome acquires a new telomere, most often by translocation of the end of another chromosome. The instability is not confined to a chromosome that loses its telomere, because the instability is transferred to the chromosome donating a translocation. Moreover, the amplified regions are unstable and form extrachromosomal DNA that can reintegrate at new locations. Knowledge concerning the factors promoting telomere loss and its consequences is

  3. Organization of the bacterial chromosome.

    OpenAIRE

    Krawiec, S.; Riley, M

    1990-01-01

    Recent progress in studies on the bacterial chromosome is summarized. Although the greatest amount of information comes from studies on Escherichia coli, reports on studies of many other bacteria are also included. A compilation of the sizes of chromosomal DNAs as determined by pulsed-field electrophoresis is given, as well as a discussion of factors that affect gene dosage, including redundancy of chromosomes on the one hand and inactivation of chromosomes on the other hand. The distinction ...

  4. Synthesis and Crystal Structure of Methyl 3-(5-Bromo-1-ethyl-1H-indole-3-carbonyl)aminopropionate

    Institute of Scientific and Technical Information of China (English)

    LI Kai-Ping; ZHENG Le; ZENG Xiang-Chao; HU Fang

    2011-01-01

    Methyl 3-(5-bromo-1-ethyl-1H-indole-3-carbonyl)aminopropionate has been syn-thesized by the acylation of 5-bromo-3-trichloroacetylindole with β-alanine methyl ester, followed by alkylation with ethyl iodide, in 82.6% yield. Its crystal structure was gotten and determined by Ⅹ-ray diffraction method. The crystal is of monoclinic, space group P2/c with a = 11.7927(8), b =14.9342(8), c=9.0060(5) A, β= 101.558(6)°, V= 1553.93(16) A,Z=4, Dc=1.510 g/cm,λ=0.71073 A,μ(MoKa) = 2.656 mm, Mr = 353.22 and F(000) = 720. The structure was refined to R =0.0401 and wR = 0.0825 for 1704 observed reflections with Ⅰ > 20(Ⅰ). In the crystal structure,intermolecular N(2)-H(2)…O(1) hydrogen bond and weak intermolecular bonds (C(1)-H(1)…O(1)and C(10)-H(10B)…O(2)) are formed, and π-π stacking also exists.

  5. [Chromosomal organization of the genomes of small-chromosome plants].

    Science.gov (United States)

    Muravenko, O V; Zelenin, A V

    2009-11-01

    An effective approach to study the chromosome organization in genomes of plants with small chromosomes and/or with low-informative C-banding patterns was developed in the course of investigation of the karyotypes of cotton plant, camomile, flax, and pea. To increase the resolving power of chromosome analysis, methods were worked out for revealing early replication patterns on chromosomes and for artificial impairment of mitotic chromosome condensation with the use of a DNA intercalator, 9-aminoacridine (9-AMA). To estimate polymorphism of the patterns of C-banding of small chromosomes on preparations obtained with the use of 9-AMA, it is necessary to choose a length interval that must not exceed three average sizes of metaphase chromosomes without the intercalator. The use of 9-AMA increases the resolution of differential C- and OR-banding and the precision of physical chromosome mapping by the FISH method. Of particular importance in studying small chromosomes is optimization of the computer-aided methods used to obtain and process chromosome images. The complex approach developed for analysis of the chromosome organization in plant genomes was used to study the karyotypes of 24 species of the genus Linum L. It permitted their chromosomes to be identified for the first time, and, in addition, B chromosomes were discovered and studied in the karyotypes of the species of the section Syllinum. By similarity of the karyotypes, the studied flax species were distributed in eight groups in agreement with the clusterization of these species according to the results of RAPD analysis performed in parallel. Systematic positions and phylogenetic relationships of the studied flax species were verified. Out results can serve as an important argument in favour of the proposal to develop a special program for sequencing the genome of cultivated flax (L. usitatissimum L.), which is a major representative of small-chromosome species. PMID:20058798

  6. Vibrational and thermodynamic properties and molecular motions in the incommensurate crystal of morpholinium tetrafluoroborate studied by 1H NMR

    International Nuclear Information System (INIS)

    Graphical abstract: The N-H...O and N-H...F hydrogen bond system determines the dynamical properties and the phase transitions sequence in [NH2(C2H4)2O][BF4]. Research highlights: → Thermodynamical characteristics of phase transitions in morpholinium tetrafluoroborate. → Dynamics of the [BF4]- groups is responsible for the phase transition mechanism. Proton dynamics of the (NH2)+ group contributes to the spin-lattice relaxation time. - Abstract: Dynamics of molecules in morpholinium tetrafluoroborate, [NH2(C2H4)2O][BF4], has been studied in a wide temperature range by means of AC calorimetry, 1H NMR and infrared spectroscopy. Simultaneously, DFT (density functional theory) calculations of the molecular structure and normal vibration frequencies have been performed by using various functionals for initial structural data of the low temperature phase. Infrared spectra of polycrystalline [NH2(C2H4)2O][BF4] have been analyzed in a frequency range 4000-400 cm-1. Substantial changes in a temperature evolution of internal modes of both morpholinium cations and [BF4]- anions are due to the freezing of these moieties motions below 117 K. A dynamic nonequivalence of protons involved in N-H...F and N-H...O hydrogen bonds has been detected. Heat capacity anomalies around structural phase transitions detected by AC calorimetry (117 and 153 K) have been evaluated and described. A molecular mechanism of the phase transitions is discussed on the basis of presented results.

  7. Vibrational and thermodynamic properties and molecular motions in the incommensurate crystal of morpholinium tetrafluoroborate studied by {sup 1}H NMR

    Energy Technology Data Exchange (ETDEWEB)

    Owczarek, M. [Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, 50-383 Wroclaw (Poland); Jakubas, R., E-mail: rj@wchuwr.chem.uni.wroc.pl [Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, 50-383 Wroclaw (Poland); Bator, G. [Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, 50-383 Wroclaw (Poland); Pawlukojc, A. [Institute of Nuclear Chemistry and Technology, Dorodna 16, 03-195 Warsaw (Poland); Baran, J. [Institute of Low Temperature and Structural Research of the PAS, Okolna 2, 50-422 Wroclaw (Poland); Przeslawski, J. [Institute of Experimental Physics, University of Wroclaw, Max Born Sq. 9, 50-204 Wroclaw (Poland); Medycki, W. [Institute of Molecular Physics, PAS, Smoluchowskiego 17, 60-179 Poznan (Poland)

    2011-03-18

    Graphical abstract: The N-H...O and N-H...F hydrogen bond system determines the dynamical properties and the phase transitions sequence in [NH{sub 2}(C{sub 2}H{sub 4}){sub 2}O][BF{sub 4}]. Research highlights: {yields} Thermodynamical characteristics of phase transitions in morpholinium tetrafluoroborate. {yields} Dynamics of the [BF{sub 4}]{sup -} groups is responsible for the phase transition mechanism. Proton dynamics of the (NH{sub 2}){sup +} group contributes to the spin-lattice relaxation time. - Abstract: Dynamics of molecules in morpholinium tetrafluoroborate, [NH{sub 2}(C{sub 2}H{sub 4}){sub 2}O][BF{sub 4}], has been studied in a wide temperature range by means of AC calorimetry, {sup 1}H NMR and infrared spectroscopy. Simultaneously, DFT (density functional theory) calculations of the molecular structure and normal vibration frequencies have been performed by using various functionals for initial structural data of the low temperature phase. Infrared spectra of polycrystalline [NH{sub 2}(C{sub 2}H{sub 4}){sub 2}O][BF{sub 4}] have been analyzed in a frequency range 4000-400 cm{sup -1}. Substantial changes in a temperature evolution of internal modes of both morpholinium cations and [BF{sub 4}]{sup -} anions are due to the freezing of these moieties motions below 117 K. A dynamic nonequivalence of protons involved in N-H...F and N-H...O hydrogen bonds has been detected. Heat capacity anomalies around structural phase transitions detected by AC calorimetry (117 and 153 K) have been evaluated and described. A molecular mechanism of the phase transitions is discussed on the basis of presented results.

  8. Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface.

    Science.gov (United States)

    Chen, Liuyang; Shao, Kejie; Chen, Jun; Yang, Minghui; Zhang, Dong H

    2016-05-21

    This work performs a time-dependent wavepacket study of the H2 + C2H → H + C2H2 reaction on a new ab initio potential energy surface (PES). The PES is constructed using neural network method based on 68 478 geometries with energies calculated at UCCSD(T)-F12a/aug-cc-pVTZ level and covers H2 + C2H↔H + C2H2, H + C2H2 → HCCH2, and HCCH2 radial isomerization reaction regions. The reaction dynamics of H2 + C2H → H + C2H2 are investigated using full-dimensional quantum dynamics method. The initial-state selected reaction probabilities are calculated for reactants in eight vibrational states. The calculated results showed that the H2 vibrational excitation predominantly enhances the reactivity while the excitation of bending mode of C2H slightly inhibits the reaction. The excitations of two stretching modes of C2H molecule have negligible effect on the reactivity. The integral cross section is calculated with J-shift approximation and the mode selectivity in this reaction is discussed. The rate constants over 200-2000 K are calculated and agree well with the experimental measured values. PMID:27208951

  9. Efficient synthesis and in vitro antifungal activity of 1H-benzimidazol-1-yl acetates/propionates containing 1H-1,2,4-triazole moiety

    Institute of Scientific and Technical Information of China (English)

    Pei Zhi Zhang; Shao Fang Zhou; Tian Ren Li; Lin Jiang

    2012-01-01

    A series of novel 1H-benzimidazol-1-yl acetates and 1H-benzimidazol-1-yl propionates containing 1H-1,2,4-triazole moiety were synthesized under microwave irradiation by multi-step reactions,in yields of 87-94%.Their in vitro antifungal activities against Botrytis cinerea and Sclerotinia sclerotiorum were evaluated by mycelial growth rate method.All the target compounds exhibit high activities against B.cinerea with the EC50 values of 7.96-21.74 μg/mL,higher than that of carbendazim.

  10. Chromosome 19 International Workshop

    Energy Technology Data Exchange (ETDEWEB)

    Pericak-Vance, M.A. (Duke Univ., Durham, NC (United States). Medical Center); Ropers, H.H. (Univ. Hospital Nijmegen, (The Netherlands). Dept. of Human Genetics); Carrano, A.J. (Lawrence Livermore National Lab., CA (United States))

    1993-01-04

    The Second International Workshop on Human Chromosome 19 was hosted on January 25 and 26, 1992, by the Department of Human Genetics, University Hospital Nijmegen, The Netherlands, at the 'Meerdal Conference Center'. The workshop was supported by a grant from the European Community obtained through HUGO, the Dutch Research Organization (NWO) and the Muscular Dystrophy Association (MDA). Travel support for American participants was provided by the Department of Energy. The goals of this workshop were to produce genetic, physical and integrated maps of chromosome 19, to identify inconsistencies and gaps, and to discuss and exchange resources and techniques available for the completion of these maps. The second day of the meeting was largely devoted to region or disease specific efforts. In particular, the meeting served as a platform for assessing and discussing the recent progress made into the molecular elucidation of myotonic dystrophy.

  11. Bonding in Zintl phase hydrides: density functional calculations for SrAlSiH, SrAl2H2, SrGa2H2 and BaGa2H2

    Energy Technology Data Exchange (ETDEWEB)

    Subedi, Alaska P [ORNL; Singh, David J [ORNL

    2008-01-01

    We investigate the bonding characteristics of SrAlSiH, SrAl{sub 2}H{sub 2}, SrGa{sub 2}H{sub 2}, and BaGa{sub 2}H{sub 2} using density functional calculations. The mixed bonding characteristic of other families of Zintl phases is found, with the formation of covalent sp{sup 2} bonds in the Al/Ga/Al-Si planes of the various compounds. On the other hand the Sr and Ba atoms occur as divalent cations, while the H is anionic. The results indicate that insulating SrSiAlH may be a switchable ferroelectric.

  12. Thermodynamic properties and molecular motions in ferroelectric (C3N2H5)5Sb2Br11

    International Nuclear Information System (INIS)

    Research Highlights: → Two overlapped phase transitions in the low temperature region. → 1H NMR conformed dynamical non-equivalence of the imidazolium cations. → The paraelectric-ferroelectric transition is close to the tricritical one. - Abstract: The first precise measurements of specific heat changes have been performed for a ferroelectric crystal (C3N2H5)5Sb2Br11 by means of an ac calorimeter. The calorimetric measurements disclosed a quite uncommon type of heat anomaly close to the paraelectric-ferroelectric transition. The ferroelectric phase transition at about 145 K has been characterized and described by the Landau model using the specific heat data. Thermal parameters (such as the excess enthalpy (ΔH) and the excess entropy (ΔS) of the continuous ferroelectric phase transition have been estimated and discussed. 1H spin-lattice relaxation at 90 MHz has been measured for this crystal in a very broad temperature range 90-420 K, covering three phase transitions. The relaxation data have been interpreted in terms of different dynamical properties of imidazolium cations put in structurally different environments.

  13. Electron swarm parameters in pure C2H2 and in C2H2-Ar mixtures and electron collision cross sections for the C2H2 molecule

    Science.gov (United States)

    Nakamura, Yoshiharu

    2010-09-01

    Electron swarm parameters (the drift velocity and the longitudinal diffusion coefficient) were measured in pure C2H2 and also in C2H2-Ar mixtures containing 0.517% and 5.06% acetylene over wide E/N ranges. These swarm parameters were analysed using a Boltzmann equation analysis and a set of electron collision cross sections for the C2H2 molecule was derived so that it was consistent with the present swarm data and published ionization coefficient. The present result suggested the presence of a Ramsauer-Townsend minimum in the elastic momentum transfer cross section at 0.08 eV and prominent threshold and resonance peaks in the ν4/ν5 vibrational excitation cross section. The present cross section set was also confirmed to be consistent with the published experimental total cross section of C2H2.

  14. Role of Metallothionein1H in Cisplatin Resistance of Non-Small Cell Lung Cancer Cells

    Institute of Scientific and Technical Information of China (English)

    Xin-fang Hou; Qing-xia Fan; Liu-xing Wang; Shi-xin Lu

    2009-01-01

    Objective: Despite platinum-based adjuvant chemotherapy has improved greatly patients' outcomes, drug resistance poses a major impediment to the successful use of such an effective agent. Metallothioneins(MTs) are known to play putative roles in cancer cell proliferation, apoptosis, differentiation, drug resistance and prognosis. The present studiy was to investigte the role of metallethioein1H(MT1H) in cisplatin resistance of human non-small cell lung cancer(NSCLC) cell lines in vitro or its possible molecular mechanisms. Methods: MT1H mRNA expression in A549 and A549/DDP cells was detected by RT-PCR. A recombinant eukaryotic expression plasmid pcDNA3.1(-)-MT1H was constructed and transfected into A549 cells which express no MT1H. MT1H siRNA was transfected into A549/DDP cells which express MT1H highly. MT1H expression was detected by RT-PCR and Immunoblot. The chemosensitivity to cisplatin was assessed by MTT assay. Apoptosis rate was determined by Tunel and FCM. Bcl-2 and Bax were determined by immunohistochemistry. Results: MT1H mRNA was expressed in A549/DDP but not in A549. After transfection of MT1H, MT1H expression was enhanced and the chemosensitivity to cisplatin was decreased in A549 cells. Inversely, after transfection of MT1H siRNA, MT1H expression was decreased and the chemosensitivity to cisplatin was increased in A549/DDP. The apoptosis rate induced by cisplatin was increased and Bcl-2 was down-regulated but Bax showed little change in A549/DDP cells interferred with MT1H siRNA. Conclusion: MT1H overexpression can promote drug resistance in A549 cells . Down-regulation of MT1H interfered with siRNA can effectively reverses the drug resistance in A549/DDP cells by down-regulating the expression of Bcl-2 and increasing cisplatin induced apoptosis. SiRNA targeting MT1H combined with chemotherapy may be a very promising strategy for treatment of lung cancer.

  15. Molecular fundamentals of chromosomal mutagenesis

    International Nuclear Information System (INIS)

    Precise quantitative correlation between the yield of chromosome structure damages and the yield of DNA damages is shown when comparing data on molecular and cytogenetic investigations carried out in cultural Mammalia cells. As the chromosome structure damage is to be connected with the damage of its carcass structure, then it is natural that DNA damage in loop regions is not to affect considerably the structure, while DNA damage lying on the loop base and connected with the chromosome carcass is to play a determining role in chromosomal mutagenesis. This DNA constitutes 1-2% from the total quantity of nuclear DNA. If one accepts that damages of these regions of DNA are ''hot'' points of chromosomal mutagenesis, then it becomes clear why 1-2% of preparation damages in a cell are realized in chromosome structural damages

  16. Electochemical detection of chromosome translocation

    DEFF Research Database (Denmark)

    Kwasny, Dorota; Dimaki, Maria; Silahtaroglu, Asli;

    2014-01-01

    Cytogenetics is a study of the cell structure with a main focus on chromosomes content and their structure. Chromosome abnormalities, such as translocations may cause various genetic disorders and heametological malignancies. Chromosome translocations are structural rearrangements of two...... hybridization approach developed for label-free detection of the chromosome translocations. For specific translocation detection it is necessary to determine that the two DNA sequences forming a derivative chromosome are connected, which is achieved by two subsequent hybridization steps. The electrochemical...... impedance spectroscopy was selected as the sensing method on a microfabricated chip with array of 12 electrode sets. Two independent chips (Chip1 and Chip2) were used for targeting the chromosomal fragments involved in the translocation. Each chip was differentially functionalized with DNA probes matching...

  17. Intraspecific chromosome variability

    Directory of Open Access Journals (Sweden)

    N Dubinin

    2010-12-01

    Full Text Available (Editorial preface. The publication is presented in order to remind us of one of dramatic pages of the history of genetics. It re-opens for the contemporary reader a comprehensive work marking the priority change from plant cytogenetics to animal cytogenetics led by wide population studies which were conducted on Drosophila polytene chromosomes. The year of the publication (1937 became the point of irretrievable branching between the directions of Old World and New World genetics connected with the problems of chromosome variability and its significance for the evolution of the species. The famous book of T. Dobzhansky (1937 was published by Columbia University in the US under the title “Genetics and the origin of species”, and in the shadow of this American ‘skybuilding’ all other works grew dim. It is remarkable that both Dobzhansky and Dubinin come to similar conclusions about the role of chromosomes in speciation. This is not surprising given that they both might be considered as representatives of the Russian genetic school, by their birth and education. Interestingly, Dobzhansky had never referred to the full paper of Dubinin et al. (1937, though a previous short communication in Nature (1936 was included together with all former papers on the related subject. In full, the volume of the original publication printed in the Biological Journal in Moscow comprised 47 pages, in that number 41 pages of the Russian text accompanied by 16 Figs, a table and reference list, and, above all, 6 pages of the English summary. This final part in English is now reproduced in the authors’ version with the only addition being the reference list in the originally printed form.

  18. Reference-assisted chromosome assembly

    OpenAIRE

    Kim, Jaebum; Larkin, Denis M; Cai, Qingle; Asan,; Zhang, Yongfen; Ge, Ri-Li; Auvil, Loretta; Capitanu, Boris; Zhang, Guojie; Lewin, Harris A.; Ma, Jian

    2013-01-01

    One of the most difficult problems in modern genomics is the assembly of full-length chromosomes using next generation sequencing (NGS) data. To address this problem, we developed “reference-assisted chromosome assembly” (RACA), an algorithm to reliably order and orient sequence scaffolds generated by NGS and assemblers into longer chromosomal fragments using comparative genome information and paired-end reads. Evaluation of results using simulated and real genome assemblies indicates that ou...

  19. Predictability of 1-h postload plasma glucose concentration: A 10-year retrospective cohort study

    OpenAIRE

    Kuang, Lifen; Huang, Zhimin; Hong, Zhenzhen; Chen, Ailing; Li, Yanbing

    2015-01-01

    Aims/Introduction Elevated 1-h postload plasma glucose concentration (1hPG) during oral glucose tolerance test has been linked to an increased risk of type 2 diabetes and a poorer cardiometabolic risk profile. The present study analyzed the predictability and cut-off point of 1hPG in predicting type 2 diabetes in normal glucose regulation (NGR) subjects, and evaluated the long-term prognosis of NGR subjects with elevated 1hPG in glucose metabolism, kidney function, metabolic states and athero...

  20. Experimental approach to prezygotic chromosome screening using only a single pair of gametes in mice.

    Science.gov (United States)

    Watanabe, Hiroyuki; Kohda, Atsushi; Tateno, Hiroyuki

    2015-01-01

    During in vitro embryo production, chromosome screening is essential to prevent pregnancy losses caused by embryonic chromosome aberrations. When the chromosome screening is completed before fertilization, gametes are effectively utilized as genetic resources. The aim of this study was to investigate whether chromosome screening of gametes accompanied by fertilization would be feasible using a single mouse spermatozoon and oocyte. Metaphase II oocytes were divided into a cytoplast and a karyoplast. For genome cloning of the gametes, androgenic and gynogenic embryos were produced by microinjection of sperm into cytoplasts and parthenogenetic activation of karyoplasts, respectively. Pairs of blastomeres from androgenic and gynogenic embryos were fused electrically to produce diploid embryos, which were transferred into pseudopregnant surrogate mothers to examine fetal development. Blastomeres from androgenic and gynogenic embryos were individually treated with calyculin A-a specific inhibitor of type 1 and 2A protein phosphatases-for 2 h to induce premature chromosome condensation. Thereafter, chromosome analysis of blastomeres, reflecting the genetic constitution of individual spermatozoa and oocytes, was performed, and we confirmed that most of the androgenic and gynogenic 2-cell embryos had a haploid set of chromosomes in their sister blastomeres. The reconstructed embryos from blastomeres of androgenic and gynogenic 2-cell embryos could be implanted and develop into live fetuses, albeit at low efficiency. This study indicates that prezygotic chromosome screening and embryo production using a single pair of gametes may be practicable. PMID:26234555

  1. Study on ethyl groups with two different orientations in [N(C2H5)4]2CuBr4

    Science.gov (United States)

    Lim, Ae Ran

    2016-06-01

    The crystal structure and phase transition temperature of [N(C2H5)4]2CuBr4 are studied using X-ray diffraction and differential scanning calorimetry (DSC); measurements revealed a tetragonal structure and the two phase transition temperatures TC of 204 K and 255.5 K. The structural geometry near TC is discussed in terms of the chemical shifts for 1H magic angle spinning (MAS) nuclear magnetic resonance (NMR) and 13C cross-polarization (CP)/MAS NMR. The two inequivalent ethyl groups are distinguishable by the 13C NMR spectrum. The molecular motions are discussed in terms of the spin-lattice relaxation times T1ρ in the rotating frame for 1H MAS NMR and 13C CP/MAS NMR. The T1ρ results reveal that the ethyl groups undergo tumbling motion, and furthermore that the ethyl groups are highly mobile.

  2. Synthesis and conformational analysis of new derivatives of 7-chloro-1,3-dihydro-5-phenyl-2h-1,4-benzodiazepine-2-one

    CERN Document Server

    Imanzadeh, G H; Sadra, Y

    2011-01-01

    1,4-benzodiazepine-2-ones and their derivatives are prominent structures in medicinal chemistry. These biomolecules have wide biological activities and posses therapeutic applications. In this works, we introduce new derivatives of 1,4-benzodiazepine-2-ones which are synthesized using michael addition reaction of 7-chloro- 1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-ones with fumaric esters that matches with green chemistry protocols. The structures of all products are confirmed by FT-IR, 1H-NMR, 13C-NMR and MASS spectroscopy. Since the stereochemistry of 1,4-benzo diazepine-2-ones is important, we study the most stable conformer of one of the products as a model for conformational analysis by hyper chem soft ware and semi empirical AM1 program. Also, using the 1H-NMR spectrum, we investigate the produced diastereomers of one of products as a model.

  3. Central nervous system dysfunction in a mouse model of FA2H deficiency.

    Science.gov (United States)

    Potter, Kathleen A; Kern, Michael J; Fullbright, George; Bielawski, Jacek; Scherer, Steven S; Yum, Sabrina W; Li, Jian J; Cheng, Hua; Han, Xianlin; Venkata, Jagadish Kummetha; Khan, P Akbar Ali; Rohrer, Bärbel; Hama, Hiroko

    2011-07-01

    Fatty acid 2-hydroxylase (FA2H) is responsible for the synthesis of myelin galactolipids containing hydroxy fatty acid (hFA) as the N-acyl chain. Mutations in the FA2H gene cause leukodystrophy, spastic paraplegia, and neurodegeneration with brain iron accumulation. Using the Cre-lox system, we developed two types of mouse mutants, Fa2h(-/-) mice (Fa2h deleted in all cells by germline deletion) and Fa2h(flox/flox) Cnp1-Cre mice (Fa2h deleted only in oligodendrocytes and Schwann cells). We found significant demyelination, profound axonal loss, and abnormally enlarged axons in the CNS of Fa2h(-/-) mice at 12 months of age, while structure and function of peripheral nerves were largely unaffected. Fa2h(-/-) mice also exhibited histological and functional disruption in the cerebellum at 12 months of age. In a time course study, significant deterioration of cerebellar function was first detected at 7 months of age. Further behavioral assessments in water T-maze and Morris water maze tasks revealed significant deficits in spatial learning and memory at 4 months of age. These data suggest that various regions of the CNS are functionally compromised in young adult Fa2h(-/-) mice. The cerebellar deficits in 12-month-old Fa2h(flox/flox) Cnp1-Cre mice were indistinguishable from Fa2h(-/-) mice, indicating that these phenotypes likely stem from the lack of myelin hFA-galactolipids. In contrast, Fa2h(flox/flox) Cnp1-Cre mice did not show reduced performance in water maze tasks, indicating that oligodendrocytes are not involved in the learning and memory deficits found in Fa2h(-/-) mice. These findings provide the first evidence that FA2H has an important function outside of oligodendrocytes in the CNS. PMID:21491498

  4. 1H magnetic resonance spectroscopy (1H MRS) in the initially differentiating recurrent brain gliomas after radiation therapy from delayed cerebral necrosis

    International Nuclear Information System (INIS)

    Objective: To evaluate 1H magnetic resonance spectroscopy (1H MRS) in the differentiating recurrent brain gliomas after radiation therapy from delayed cerebral necrosis. Methods: Fifteen patients who had clinical and CT, MRI changes that suggested a diagnosis of delayed cerebral necrosis or recurrent brain tumor after radiation therapy and 5 patients who had a definite clinical diagnosis of delayed cerebral necrosis underwent single MR spectroscopy simultaneously both in the lesion's region and the contralateral side. Results: Of the former 15 cases who proved by surgical pathology, 14 cases were gliomas, 1 case was delayed cerebral necrosis, and their etiologic diagnoses of 1H MRS were correct. (1) 1H MRS in 14 cases with gliomas exhibited specific spectral peaks including prominent choline-containing compounds (Cho), decreased or absent acetylaspartate (NAA) and total creatine (Cr), and the metabolic ratios showed significantly increased Cho/Cr, decreased NAA/Cr. Twelve cases showed abnormal lactate (Lac). (2) Among 6 cases with delayed cerebral necrosis, 5 cases exhibited decreased or absent Cho, NAA, Cr, and abnormal Lipid, 1 case showed absent Cho, NAA, and Cr with a flat curve without Lac. Conclusion: 1H MRS was positively claimed for differentiating recurrent brain gliomas after radiation therapy from delayed cerebral necrosis

  5. Chromosome Connections: Compelling Clues to Common Ancestry

    Science.gov (United States)

    Flammer, Larry

    2013-01-01

    Students compare banding patterns on hominid chromosomes and see striking evidence of their common ancestry. To test this, human chromosome no. 2 is matched with two shorter chimpanzee chromosomes, leading to the hypothesis that human chromosome 2 resulted from the fusion of the two shorter chromosomes. Students test that hypothesis by looking for…

  6. X-chromosome workshop.

    Science.gov (United States)

    Paterson, A D

    1998-01-01

    Researchers presented results of ongoing research to the X-chromosome workshop of the Fifth World Congress on Psychiatric Genetics, covering a wide range of disorders: X-linked infantile spasms; a complex phenotype associated with deletions of Xp11; male homosexuality; degree of handedness; bipolar affective disorder; schizophrenia; childhood onset psychosis; and autism. This report summarizes the presentations, as well as reviewing previous studies. The focus of this report is on linkage findings for schizophrenia and bipolar disorder from a number of groups. For schizophrenia, low positive lod scores were obtained for markers DXS991 and DXS993 from two studies, although the sharing of alleles was greatest from brother-brother pairs in one study, and sister-sister in the other. Data from the Irish schizophrenia study was also submitted, with no strong evidence for linkage on the X chromosome. For bipolar disease, following the report of a Finnish family linked to Xq24-q27, the Columbia group reported some positive results for this region from 57 families, however, another group found no evidence for linkage to this region. Of interest, is the clustering of low positive linkage results that point to regions for possible further study. PMID:9686435

  7. Chromosome analysis and sorting

    Czech Academy of Sciences Publication Activity Database

    Doležel, Jaroslav; Kubaláková, Marie; Suchánková, Pavla; Kovářová, Pavlína; Bartoš, Jan; Šimková, Hana

    Weinheim : Wiley-VCH, 2007 - (Doležel, J.; Greilhuber, J.; Suda, J.), s. 373-403 ISBN 978-3-527-31487-4 R&D Projects: GA ČR GA521/04/0607; GA ČR GP521/05/P257; GA ČR GD521/05/H013; GA MŠk(CZ) LC06004 Grant ostatní: Mendelova zemědělská a lesnická univerzita v Brně / Agronomická fakulta(CZ) ME 844 Institutional research plan: CEZ:AV0Z5038910 Source of funding: V - iné verejné zdroje ; V - iné verejné zdroje ; V - iné verejné zdroje ; V - iné verejné zdroje ; V - iné verejné zdroje Keywords : Plant flow cytometry * chromosome sorting * flow cytogenetics Subject RIV: EB - Genetics ; Molecular Biology http://books. google .com/books?id=3cwakORieqUC&pg=PA373&lpg=PA373&dq=Chromosome+analysis+and+sorting&source=web&ots=8IyvJlBQyq&sig=_NlXyQQgBCwpj1pTC9YITvvVZqU

  8. Experimental studies of collisions of excited Li(4p) atoms with C2H4, C2H6, C3H8 and theoretical interpretation of the Li-C2H4 system

    International Nuclear Information System (INIS)

    Collisions of excited Li(4p) states with C2H4, C2H6 and C3H8 are studied experimentally using far-wing scattering state spectroscopy techniques. High-level ab initio quantum mechanical studies of the Li-C2H4 system are conducted to explain the results of the experiment for this system. The recent and present works indicate that knowledge of the internal structure of the perturber (C2H4, C2H6 and C3H8) is essential to fully understand the interaction between the metal and the hydrocarbon molecules. The ab initio calculation shows that the Li(4d) (with little probability under the experimental conditions) and the Li(4p) can be formed directly through the laser pumping. It also shows that the Li(4s) and Li(3d) states can be formed through an electronic diabatic coupling involving a radiationless process. However, the Li(3p), Li(3s) and Li(2p) states can only be formed through a secondary diabatic coupling which is a much less probable process than the primary one. The calculation limited to two C2v sections of the potential energy surfaces (PESs) shows peculiar multi-state crossings that we have never seen in other lithium complexes we studied

  9. The role of isovalency in the reactions of the cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H) radicals with unsaturated hydrocarbons acetylene (C2H2) and ethylene (C2H4).

    Science.gov (United States)

    Parker, D S N; Mebel, A M; Kaiser, R I

    2014-04-21

    The classification of chemical reactions based on shared characteristics is at the heart of the chemical sciences, and is well exemplified by Langmuir's concept of isovalency, in which 'two molecular entities with the same number of valence electrons have similar chemistries'. Within this account we further investigate the ramifications of the isovalency of four radicals with the same X(2)Σ(+) electronic structure - cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H), and their reactions with simple prototype hydrocarbons acetylene (C2H2) and ethylene (C2H4). The fact that these four reactants own the same X(2)Σ(+) electronic ground state should dictate the outcome of their reactions with prototypical hydrocarbons holding a carbon-carbon triple and double bond. However, we find that other factors come into play, namely, atomic radii, bonding orbital overlaps, and preferential location of the radical site. These doublet radical reactions with simple hydrocarbons play significant roles in extreme environments such as the interstellar medium and planetary atmospheres (CN, SiN and C2H), and combustion flames (C2H, BO). PMID:24418936

  10. The complete genome sequence of the Arcobacter butzleri cattle isolate 7h1h

    Science.gov (United States)

    Arcobacter butzleri strain 7h1h was isolated in the UK from a clinically healthy dairy cow. The genome of this isolate was sequenced to completion. Here we present the annotation and analysis of the completed 7h1h genome, as well as comparison of this genome to the existing A. butzleri RM4018 and ED...

  11. {sup 1}H MR spectroscopy in histopathological subgroups of mesial temporal lobe epilepsy

    Energy Technology Data Exchange (ETDEWEB)

    Hajek, Milan; Dezortova, Monika [Institute for Clinical and Experimental Medicine, MR Unit, Department of Diagnostic and Interventional Radiology, Prague (Czech Republic); Krsek, Pavel; Komarek, Vladimir [Charles University, Department of Pediatric Neurology, Prague 5 (Czech Republic); Marusic, Petr; Tomasek, Martin; Krijtova, Hana [Charles University, Department of Neurology, Prague (Czech Republic); Zamecnik, Josef [Charles University, Department of Pathology and Molecular Medicine, Prague (Czech Republic); Kyncl, Martin [Charles University, Department of Radiology, Prague (Czech Republic)

    2009-02-15

    The aim of the study was to analyze the lateralizing value of proton magnetic resonance spectroscopy ({sup 1}H MRS) in histopathologically different subgroups of mesial temporal lobe epilepsies (MTLE) and to correlate results with clinical, MRI and seizure outcome data. A group of 35 patients who underwent resective epilepsy surgery was retrospectively studied. Hippocampal {sup 1}H MR spectra were evaluated. Metabolite concentrations were obtained using LCModel and NAA/Cr, NAA/Cho, NAA/(Cr+Cho), Cho/Cr ratios and coefficients of asymmetry were calculated. MRI correctly lateralized 89% of subjects and {sup 1}H MRS 83%. MRI together with {sup 1}H MRS correctly lateralized 100% of patients. Nineteen subjects had 'classical' hippocampal sclerosis (HS), whereas the remaining 16 patients had 'mild' HS. Nineteen patients had histopathologically proven malformation of cortical development (MCD) in the temporal pole; 16 subjects had only HS. No difference in {sup 1}H MRS findings was found between patients in different histopathological subgroups of MTLE. Our results support the hypothesis that {sup 1}H MRS abnormalities do not directly reflect histopathological changes in MTLE patients. Subjects with non-lateralized {sup 1}H MRS abnormalities did not have a worse postoperative seizure outcome. We found no significant impact of contralateral {sup 1}H MRS abnormality on post-surgical seizure outcome. (orig.)

  12. 1H MR spectroscopy in histopathological subgroups of mesial temporal lobe epilepsy

    International Nuclear Information System (INIS)

    The aim of the study was to analyze the lateralizing value of proton magnetic resonance spectroscopy (1H MRS) in histopathologically different subgroups of mesial temporal lobe epilepsies (MTLE) and to correlate results with clinical, MRI and seizure outcome data. A group of 35 patients who underwent resective epilepsy surgery was retrospectively studied. Hippocampal 1H MR spectra were evaluated. Metabolite concentrations were obtained using LCModel and NAA/Cr, NAA/Cho, NAA/(Cr+Cho), Cho/Cr ratios and coefficients of asymmetry were calculated. MRI correctly lateralized 89% of subjects and 1H MRS 83%. MRI together with 1H MRS correctly lateralized 100% of patients. Nineteen subjects had ''classical'' hippocampal sclerosis (HS), whereas the remaining 16 patients had ''mild'' HS. Nineteen patients had histopathologically proven malformation of cortical development (MCD) in the temporal pole; 16 subjects had only HS. No difference in 1H MRS findings was found between patients in different histopathological subgroups of MTLE. Our results support the hypothesis that 1H MRS abnormalities do not directly reflect histopathological changes in MTLE patients. Subjects with non-lateralized 1H MRS abnormalities did not have a worse postoperative seizure outcome. We found no significant impact of contralateral 1H MRS abnormality on post-surgical seizure outcome. (orig.)

  13. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    International Nuclear Information System (INIS)

    Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu0.5L]n (1), [Cu(HL)2Cl2]n (2), [Cu(HL)2Cl2(H2O)] (3), [Cu(L)2(H2O)]n (4) and [Cu(L)(phen)(HCO2)]n (5), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl-, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units –Cu–O–Cu–O– are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound 1 exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated. - Graphical abstract: Copper(II) compounds with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid, were prepared, structurally characterized and investigated for antifungal activity. - Highlights: • The title compounds formed by thermodynamics and thermokinetics. • The five compounds show higher inhibition percentage than reactants. • The structure effect on the antifungal activity

  14. 1H NMR structural characterization of a recombinant kringle 2 domain from human tissue-type plasminogen activator

    International Nuclear Information System (INIS)

    The kringle 2 domain of human tissue-type plasminogen activator (t-PA) has been characterized via 1H NMR spectroscopy at 300 and 620 MHz. The experiments were performed on the isolated domain obtained by expression of the 174-263 portion of t-PA in Escherichia coli. The spectrum of t-Pa kringle 2 is characteristic of a globular structure and shows overall similarity to that of the plasminogen (PGN) kringle 4. Spectral comparison with human and bovine PGN kringle 4 identified side-chain resonances from Leu46, which afford a fingerprint of kringle folding, and from most of the aromatic ring spin systems. Ligand-binding studies confirm that t-PA kringle 2 binds L-lysine with an association constant Ka ∼ 11.9 mM-1. The data indicate that homologous or conserved residues relative to those that compose the lysine-binding sites of PGN kringles 1 and 4 are involved in the binding of L-lysine to t-PA kringle 2. These include Tyr36 and, within the kringle inner loop, Trp62, His64, Trp72, and Tyr74. Several labile NH protons of t-PA kringle 2 exhibit retarded H-exchange kinetics, requiring more than a week in 2H2O for full deuteration in the presence of L-lysine at 37 degree C. This reveals that kringle 2 is endowed with a compact, dynamically stable conformation. Proton Overhauser experiments in 1H2O, centered on well-resolved NH resonances between 9.8 and 12 ppm, identify signals arising from the His48a imidazole NH3 proton and the three Trp indole NH1 protons. Overall, the data indicate a highly structured conformation for the recombinant t-PA kringle 2 that is closely related to that of the previously investigated PGN kringles 1, 4, and 5

  15. Cohesin in determining chromosome architecture

    Energy Technology Data Exchange (ETDEWEB)

    Haering, Christian H., E-mail: christian.haering@embl.de [Cell Biology and Biophysics Unit, European Molecular Biology Laboratory (EMBL), Heidelberg (Germany); Jessberger, Rolf, E-mail: rolf.jessberger@tu-dresden.de [Institute of Physiological Chemistry, Dresden University of Technology, Dresden (Germany)

    2012-07-15

    Cells use ring-like structured protein complexes for various tasks in DNA dynamics. The tripartite cohesin ring is particularly suited to determine chromosome architecture, for it is large and dynamic, may acquire different forms, and is involved in several distinct nuclear processes. This review focuses on cohesin's role in structuring chromosomes during mitotic and meiotic cell divisions and during interphase.

  16. Causes of oncogenic chromosomal translocation

    OpenAIRE

    Aplan, Peter D.

    2005-01-01

    Non-random chromosomal translocations are frequently associated with a variety of cancers, especially hematologic malignancies and childhood sarcomas In addition to their diagnostic utility, chromosomal translocations are increasingly being used in the clinic to guide therapeutic decisions. However, the mechanisms which cause these translocations remain poorly understood. Illegit...

  17. Genetics Home Reference: ring chromosome 20 syndrome

    Science.gov (United States)

    ... 3 links) Encyclopedia: Chromosome Encyclopedia: Epilepsy Health Topic: Epilepsy Genetic and Rare Diseases Information Center (1 link) Ring chromosome 20 Additional NIH Resources (2 links) National Human Genome Research Institute: Chromosome Abnormalities National Institute of ...

  18. Genetics Home Reference: ring chromosome 14 syndrome

    Science.gov (United States)

    ... Encyclopedia: Chromosome Health Topic: Developmental Disabilities Health Topic: Epilepsy Genetic and Rare Diseases Information Center (1 link) Ring chromosome 14 Additional NIH Resources (2 links) National Human Genome Research Institute: Chromosome Abnormalities National Institute of ...

  19. Bacterial chromosome organization and segregation.

    Science.gov (United States)

    Badrinarayanan, Anjana; Le, Tung B K; Laub, Michael T

    2015-01-01

    If fully stretched out, a typical bacterial chromosome would be nearly 1 mm long, approximately 1,000 times the length of a cell. Not only must cells massively compact their genetic material, but they must also organize their DNA in a manner that is compatible with a range of cellular processes, including DNA replication, DNA repair, homologous recombination, and horizontal gene transfer. Recent work, driven in part by technological advances, has begun to reveal the general principles of chromosome organization in bacteria. Here, drawing on studies of many different organisms, we review the emerging picture of how bacterial chromosomes are structured at multiple length scales, highlighting the functions of various DNA-binding proteins and the impact of physical forces. Additionally, we discuss the spatial dynamics of chromosomes, particularly during their segregation to daughter cells. Although there has been tremendous progress, we also highlight gaps that remain in understanding chromosome organization and segregation. PMID:26566111

  20. Structure, phase transitions, dielectric and spectroscopic studies of the 2-aminopyrimidinium salts: [(2-NH 2C 4N 2H 3) 2H][ClO 4] and [2-NH 2C 4N 2H 4][BF 4

    Science.gov (United States)

    Czupiński, O.; Wojtaś, M.; Ciunik, Z.; Jakubas, R.

    2006-01-01

    Crystal structure of the 2-aminopyrimidinium derivatives: [(2-NH 2C 4N 2H 3) 2H][ClO 4] (I) and [2-NH 2C 4N 2H 4][BF 4] (II) has been determined at 100 K (I) and 293 K (II) by means of single crystal X-ray diffraction as monoclinic space group, P2/c and P2/n, respectively. The asymmetric part of the unit cell of (I) contains two symmetry independent 2-aminopyrimidine forming one dimeric cation and one disordered perchlorate anion. The structure of (II) consists of 2-aminopyrimidinium cation, [2-NH 2C 4N 2H 4] +, protonated at a pyrimidine ring-N atom and [BF 4] - anion. Differential scanning calorimetry (DSC) on perchlorate derivative ( 1:1), [2-NH 2C 4N 2H 3][ClO 4] (III)—being isomorphic to tetrafluoroborate one (I) at room temperature, reveals two phase transitions of first order: at 250/275 K and 390/410 K (cooling-heating, respectively), whereas the analog (II) only one transition at high temperatures—343/385 K. The dielectric studies in the frequency range 75 kHz - 10 MHz disclose relaxation process at high temperatures in salt (I). Infrared spectra of polycrystalline [2-NH 2C 4N 2H 4][BF 4] have been studied in the temperature range 300-420 K. Substantial changes in the temperature evolution of frequencies of internal modes of the 2-aminopyrimidinium cations and [BF 4] - anions near 390 K are due to the variations in the motion of both moieties and hydrogen bond configuration. The experimental studies indicate that all phase transitions taking place in studied 2-aminopyrimidinium derivatives are classified as an order-disorder.

  1. ADN et chromosomes

    OpenAIRE

    Hayes, Hélène

    2000-01-01

    Chaque chromosome contient une seule molécule d’ADN. L’ADN déroulé d’un noyau de cellule humaine mesurerait environ 1,8 m : chaque molécule d’ADN est enroulée et compactée en plusieurs étapes, grâce à l’association de différentes protéines, et loge dans le noyau de 6 µm de diamètre. Le degré de condensation de l’ADN est variable selon les régions chromosomiques et les régions les moins condensées sont les plus riches en gènes. L’ADN est composé d’une variété de séquences codantes ou non et ré...

  2. X-Chromosome dosage compensation.

    Science.gov (United States)

    Meyer, Barbara J

    2005-01-01

    In mammals, flies, and worms, sex is determined by distinctive regulatory mechanisms that cause males (XO or XY) and females (XX) to differ in their dose of X chromosomes. In each species, an essential X chromosome-wide process called dosage compensation ensures that somatic cells of either sex express equal levels of X-linked gene products. The strategies used to achieve dosage compensation are diverse, but in all cases, specialized complexes are targeted specifically to the X chromosome(s) of only one sex to regulate transcript levels. In C. elegans, this sex-specific targeting of the dosage compensation complex (DCC) is controlled by the same developmental signal that establishes sex, the ratio of X chromosomes to sets of autosomes (X:A signal). Molecular components of this chromosome counting process have been defined. Following a common step of regulation, sex determination and dosage compensation are controlled by distinct genetic pathways. C. elegans dosage compensation is implemented by a protein complex that binds both X chromosomes of hermaphrodites to reduce transcript levels by one-half. The dosage compensation complex resembles the conserved 13S condensin complex required for both mitotic and meiotic chromosome resolution and condensation, implying the recruitment of ancient proteins to the new task of regulating gene expression. Within each C. elegans somatic cell, one of the DCC components also participates in the separate mitotic/meiotic condensin complex. Other DCC components play pivotal roles in regulating the number and distribution of crossovers during meiosis. The strategy by which C. elegans X chromosomes attract the condensin-like DCC is known. Small, well-dispersed X-recognition elements act as entry sites to recruit the dosage compensation complex and to nucleate spreading of the complex to X regions that lack recruitment sites. In this manner, a repressed chromatin state is spread in cis over short or long distances, thus establishing the

  3. Synthesis of 2-substituted 2H-chromenes using potassium vinyltrifluoroborates

    OpenAIRE

    Liu, Fei; Evans, Todd; Das, Bhaskar C.

    2008-01-01

    2H-Chromenes were synthesized from salicylaldehyde using potassium vinylic borates in the presence of secondary amines. We synthesized these 2H-chromene derivatives as a part of an ongoing project to develop inhibitors for TGF-β receptors. Potassium vinyl trifluoroborates react with salicylaldehydes at 80 °C in the presence of a secondary amine and produced 2-substituted 2H-chromene derivatives with a 70–90% yield.

  4. Dimethyl sulfone in human cerebrospinal fluid and blood plasma confirmed by one-dimensional (1)H and two-dimensional (1)H-(13)C NMR.

    NARCIS (Netherlands)

    Engelke, U.F.H.; Tangerman, A.; Willemsen, M.A.A.P.; Moskau, D.; Loss, S.; Mudd, S.H.; Wevers, R.A.

    2005-01-01

    (1)H-NMR spectroscopy at 500 MHz was used to confirm that a previously unidentified singlet resonance at 3.14 ppm in the spectra of cerebrospinal fluid and plasma samples corresponds to dimethyl sulfone (DMSO(2)). A triple resonance inverse cryogenic NMR probe, with pre-amplifier and the RF-coils co

  5. A new AgI complex based on 1-[(1H-benzimidazol-1-ylmethyl]-1H-1,2,4-triazole

    Directory of Open Access Journals (Sweden)

    Yan-zhi Wang

    2011-12-01

    Full Text Available In the title complex, bis{μ-1-[(1H-benzimidazol-1-ylmethyl]-1H-1,2,4-triazole}disilver(I dinitrate, [Ag2(C10H9N52](NO32, the AgI ion is nearly linearly coordinated [N—Ag—N angle is 155.72 (14°] by two 1-[(1H-benzimidazole-1-ylmethyl]-1H-1,2,4-triazole (bmt ligands. In addition, two bmt ligands link two AgI ions, forming a dinuclear unit with an Ag...Ag distance of 5.0179 (15 Å. The whole complex is generated by an inversion centre. The dinuclear units and the NO3− counter-ions are connected by N—H...O hydrogen bonds and weak Ag...O interactions [2.831 (5, 2.887 (5 and 2.908 (5 Å], leading to a three-dimensional structure.

  6. On the Meshing Efficiency of 2K-2H Type Planetary Gear Reducer

    OpenAIRE

    Long-Chang Hsieh; Hsiu-Chen Tang

    2013-01-01

    This paper proposes 2K-2H type planetary gear reducer and analyzes its meshing efficiency. First, according to the concept of train value equation, the kinematic design of 2K-2H type planetary gear reducers is carried out. Three 2K-2H type planetary gear reducers are designed to illustrate the design algorithm. Then, based on the latent power theorem, the meshing efficiency equation of 2K-2H type planetary gear reducer is derived. According to the meshing efficiency equation, the meshing effi...

  7. Central nervous system dysfunction in a mouse model of FA2H deficiency

    OpenAIRE

    Potter, Kathleen A.; Kern, Michael J.; Fullbright, George; Bielawski, Jacek; Scherer, Steven S.; Yum, Sabrina W.; Li, Jian J.; Cheng, Hua; Han, Xianlin; Venkata, Jagadish Kummetha; Khan, P. Akbar Ali; Rohrer, Bärbel; Hama, Hiroko

    2011-01-01

    Fatty acid 2-hydroxylase (FA2H) is responsible for the synthesis of myelin galactolipids containing hydroxy fatty acid (hFA) as the N-acyl chain. Mutations in the FA2H gene cause leukodystrophy, spastic paraplegia, and neurodegeneration with brain iron accumulation. Using the Cre-lox system, we developed two types of mouse mutants, Fa2h−/− mice (Fa2h deleted in all cells by germline deletion) and Fa2hflox/flox Cnp1-Cre mice (Fa2h deleted only in oligodendrocytes and Schwann cells). We found s...

  8. Chromatid Painting for Chromosomal Inversion Detection Project

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose the continued development of a novel approach to the detection of chromosomal inversions. Transmissible chromosome aberrations (translocations and...

  9. Chromatid Painting for Chromosomal Inversion Detection Project

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose a novel approach to the detection of chromosomal inversions. Transmissible chromosome aberrations (translocations and inversions) have profound genetic...

  10. Evidence for a dipolar-coupled AM system in carnosine in human calf muscle from in vivo 1H NMR spectroscopy

    Science.gov (United States)

    Schröder, Leif; Bachert, Peter

    2003-10-01

    Spin systems with residual dipolar couplings such as creatine, taurine, and lactate in skeletal muscle tissue exhibit first-order spectra in in vivo 1H NMR spectroscopy at 1.5 T because the coupled protons are represented by (nearly) symmetrized eigenfunctions. The imidazole ring protons (H2, H4) of carnosine are suspected to form also a coupled system. The ring's stiffness could enable a connectivity between these anisochronous protons with the consequence of second-order spectra at low field strength. Our purpose was to study whether this deviation from the Paschen-Back condition can be used to detect the H2-H4 coupling in localized 1D 1H NMR spectra obtained at 1.5 T (64 MHz) from the human calf in a conventional whole-body scanner. As for the hydrogen hyperfine interaction, a Breit-Rabi equation was derived to describe the transition from Zeeman to Paschen-Back regime for two dipolar-coupled protons. The ratio of the measurable coupling strength ( Sk) and the difference in resonance frequencies of the coupled spins (Δ ω) induces quantum-state mixing of various degree upon definition of an appropriate eigenbase of the coupled spin system. The corresponding Clebsch-Gordan coefficients manifest in characteristic energy corrections in the Breit-Rabi formula. These additional terms were used to define an asymmetry parameter of the line positions as a function of Sk and Δ ω. The observed frequency shifts of the resonances were found to be consistent with this parameter within the accuracy achievable in in vivo NMR spectroscopy. Thus it was possible to identify the origin of satellite peaks of H2, H4 and to describe this so far not investigated type of residual dipolar coupling in vivo.

  11. Mitotic chromosome condensation in vertebrates

    Energy Technology Data Exchange (ETDEWEB)

    Vagnarelli, Paola, E-mail: P.Vagnarelli@ed.ac.uk

    2012-07-15

    Work from several laboratories over the past 10-15 years has revealed that, within the interphase nucleus, chromosomes are organized into spatially distinct territories [T. Cremer, C. Cremer, Chromosome territories, nuclear architecture and gene regulation in mammalian cells, Nat. Rev. Genet. 2 (2001) 292-301 and T. Cremer, M. Cremer, S. Dietzel, S. Muller, I. Solovei, S. Fakan, Chromosome territories-a functional nuclear landscape, Curr. Opin. Cell Biol. 18 (2006) 307-316]. The overall compaction level and intranuclear location varies as a function of gene density for both entire chromosomes [J.A. Croft, J.M. Bridger, S. Boyle, P. Perry, P. Teague,W.A. Bickmore, Differences in the localization and morphology of chromosomes in the human nucleus, J. Cell Biol. 145 (1999) 1119-1131] and specific chromosomal regions [N.L. Mahy, P.E. Perry, S. Gilchrist, R.A. Baldock, W.A. Bickmore, Spatial organization of active and inactive genes and noncoding DNA within chromosome territories, J. Cell Biol. 157 (2002) 579-589] (Fig. 1A, A'). In prophase, when cyclin B activity reaches a high threshold, chromosome condensation occurs followed by Nuclear Envelope Breakdown (NEB) [1]. At this point vertebrate chromosomes appear as compact structures harboring an attachment point for the spindle microtubules physically recognizable as a primary constriction where the two sister chromatids are held together. The transition from an unshaped interphase chromosome to the highly structured mitotic chromosome (compare Figs. 1A and B) has fascinated researchers for several decades now; however a definite picture of how this process is achieved and regulated is not yet in our hands and it will require more investigation to comprehend the complete process. From a biochemical point of view a vertebrate mitotic chromosomes is composed of DNA, histone proteins (60%) and non-histone proteins (40%) [6]. I will discuss below what is known to date on the contribution of these two different classes

  12. Mitotic chromosome condensation in vertebrates

    International Nuclear Information System (INIS)

    Work from several laboratories over the past 10–15 years has revealed that, within the interphase nucleus, chromosomes are organized into spatially distinct territories [T. Cremer, C. Cremer, Chromosome territories, nuclear architecture and gene regulation in mammalian cells, Nat. Rev. Genet. 2 (2001) 292–301 and T. Cremer, M. Cremer, S. Dietzel, S. Muller, I. Solovei, S. Fakan, Chromosome territories—a functional nuclear landscape, Curr. Opin. Cell Biol. 18 (2006) 307–316]. The overall compaction level and intranuclear location varies as a function of gene density for both entire chromosomes [J.A. Croft, J.M. Bridger, S. Boyle, P. Perry, P. Teague,W.A. Bickmore, Differences in the localization and morphology of chromosomes in the human nucleus, J. Cell Biol. 145 (1999) 1119–1131] and specific chromosomal regions [N.L. Mahy, P.E. Perry, S. Gilchrist, R.A. Baldock, W.A. Bickmore, Spatial organization of active and inactive genes and noncoding DNA within chromosome territories, J. Cell Biol. 157 (2002) 579–589] (Fig. 1A, A'). In prophase, when cyclin B activity reaches a high threshold, chromosome condensation occurs followed by Nuclear Envelope Breakdown (NEB) [1]. At this point vertebrate chromosomes appear as compact structures harboring an attachment point for the spindle microtubules physically recognizable as a primary constriction where the two sister chromatids are held together. The transition from an unshaped interphase chromosome to the highly structured mitotic chromosome (compare Figs. 1A and B) has fascinated researchers for several decades now; however a definite picture of how this process is achieved and regulated is not yet in our hands and it will require more investigation to comprehend the complete process. From a biochemical point of view a vertebrate mitotic chromosomes is composed of DNA, histone proteins (60%) and non-histone proteins (40%) [6]. I will discuss below what is known to date on the contribution of these two different

  13. Bis[1,3-bis(2,4,6-trimethylphenyl-2,3-dihydro-1H-imidazol-2-ylidene]dinitrosyl(tetrahydroborato-κ2H,H′tungsten(0

    Directory of Open Access Journals (Sweden)

    Heinz Berke

    2011-01-01

    Full Text Available In the title paramagnetic 19-electron neutral complex, [W(BH4(C21H24N22(NO2], the W(0 atom is coordinated by two 1,3-bis(2,4,6-trimethylphenylimidazol-2-ylidene (IMes carbene ligands, two NO groups and two H atoms of an η2-tetrahydroborate ligand. Depending on the number of coordination sites (n assigned to the BH4− ligand, the coordination geometry of the W atom may either be described as approximately trigonal–bipyramidal (n = 1 or as very distorted octahedral with the bridging H atoms filling two coordination positions (n = 2. In the latter case, the coplanar NO groups and bridging H atoms (r.m.s. deviation = 0.032 Å form one octahedral plane, with mutually trans-oriented carbene ligands. In the crystal, molecules are connected via C—H...O interactions.

  14. Spin density matrix elements in exclusive {rho}{sup 0} electroproduction on {sup 1}H and {sup 2}H targets at 27.5 GeV beam energy

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A.; Deconinck, W.; Gliske, S.; Lorenzon, W. [University of Michigan, Randall Laboratory of Physics, Ann Arbor, MI (United States); Akopov, N.; Akopov, Z.; Avakian, R.; Avetissian, A.; Elbakian, G.; Gharibyan, V.; Marukyan, H.; Taroian, S. [Yerevan Physics Institute, Yerevan (Armenia); Andrus, A.; Lamb, R.; Linden-Levy, L.A.; Makins, N.C.R.; Rubin, J. [University of Illinois, Department of Physics, Urbana, IL (United States); Aschenauer, E.C.; Boettcher, H.; Fabbri, R.; Gabbert, D.; Gregor, I.M.; Guler, H.; Hristova, I.; Kopytin, M.; Liebing, P.; Negodaev, M.; Nowak, W.D.; Stewart, J. [DESY, Zeuthen (Germany); Augustyniak, W.; Marianski, B.; Trzcinski, A.; Zupranski, P. [Andrzej Soltan Institute for Nuclear Studies, Warsaw (Poland); Avetissian, E.; Bianchi, N.; Capitani, G.P.; De Sanctis, E.; Di Nezza, P.; Fantoni, A.; Funel, A.; Hadjidakis, C.; Hasch, D.; Muccifora, V.; Reolon, A.R.; Riedl, C. [Laboratori Nazionali di Frascati, Istituto Nazionale di Fisica Nucleare, Frascati (Italy); Belostotski, S.; Izotov, A.; Jgoun, A.; Kravchenko, P.; Manaenkov, S.I.; Naryshkin, Y.; Veretennikov, D.; Vikhrov, V. [Petersburg Nuclear Physics Institute, Gatchina, Leningrad Region (Russian Federation); Blok, H.P.; Hesselink, W.H.A. [National Institute for Subatomic Physics (Nikhef), Amsterdam (Netherlands); Vrije Universiteit, Department of Physics, Amsterdam (Netherlands); Bonomo, C.; Capiluppi, M.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P.F.; Giordano, F.; Grebeniouk, O.; Lenisa, P.; Pappalardo, L.L.; Stancari, M.; Statera, M. [Universita di Ferrara, Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara (Italy); Dipartimento di Fisica, Ferrara (Italy); Borissov, A. [DESY, Zeuthen (Germany); Univ. of Glasgow, Dept. of Physics and Astronomy, Glasgow (United Kingdom); Bryzgalov, V.; Gapienko, G.; Gapienko, V.; Ivanilov, A.; Korotkov, V.; Salomatin, Y.; Tchuiko, B. [Inst. for High Energy Physics, Protvino, Moscow Region (Russian Federation)] (and others)

    2009-08-15

    Spin Density Matrix Elements (SDMEs) describing the angular distribution of exclusive {rho}{sup 0} electroproduction and decay are determined in the HERMES experiment with 27.6 GeV beam energy and unpolarized hydrogen and deuterium targets. Eight (fifteen) SDMEs that are related (unrelated) to the longitudinal polarization of the beam are extracted in the kinematic region 1

  15. Spin density matrix elements in exclusive {rho}{sup 0} electroproduction on {sup 1}H and {sup 2}H targets at 27.5 GeV beam energy

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [Michigan Univ., Ann Arbor, MI (United States). Randall Lab. of Physics; Akopov, N.; Akopov, Z. [Yerevan Physics Inst. (AM)] (and others)

    2008-12-15

    Spin Density Matrix Elements (SDMEs) describing the angular distribution of exclusive {rho}{sup 0} electroproduction and decay are determined in the HERMES experiment with 27.6 GeV beam energy and unpolarized hydrogen and deuterium targets. Eight (fifteen) SDMEs that are related (unrelated) to the longitudinal polarization of the beam are extracted in the kinematic region 1 GeV{sup 2}

  16. Crystal structure of 3-{1-[(1-allyl-1H-indazol-6-ylamino]ethylidene}-6-methyl-2H-pyran-2,4(3H-dione

    Directory of Open Access Journals (Sweden)

    Mohamed El Ghozlani

    2014-12-01

    Full Text Available In the title compound, C18H17N3O3, the dihedral angle between the planes of the indazole ring system [maximum deviation = 0.012 (1 Å] and the pyran-2,4-dione ring is 54.03 (6°. An intramolecular N—H...O hydrogen bond closes an S(6 ring. The same H atom also participates in an intermolecular N—H...O hydrogen bond, which generates an inversion dimer. The dimers are linked by weak C—H...O contacts, thereby forming a three-dimensional network.

  17. Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-ylmethyl]-1H-1,2,3-triazol-1-yl}acetate

    Directory of Open Access Journals (Sweden)

    Nada Kheira Sebbar

    2014-02-01

    Full Text Available In the title compound, C15H16N4O3S, the six-membered heterocycle of the benzothiazine fragment exhibits a screw boat conformation. The dihedral angle between the planes through the triazole ring and the benzene ring fused to the 1,4-thiazine ring is 62.98 (11°. The mean plane formed by the atoms belonging to the acetate group is nearly perpendicular to the triazole ring [dihedral angle = 74.65 (12°]. In the crystal, molecules are linked by pairs of C—H...O interactions, forming dimeric aggregates.

  18. {2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-κN(4-nitrophenylmethyl]-3,5-dimethyl-1H-pyrrol-1-ido-κN}difluoridoboron

    Directory of Open Access Journals (Sweden)

    Ai-Jun Cui

    2012-01-01

    Full Text Available In an effort to discover novel and potential boron–dipyrromethene (BODIPY dyes, the title compound, C19H18BF2N3O2, was prepared from 2,4-dimethylpyrrole, 4-nitrobenzaldehyde and BF3·Et2O in a one-pot reaction. There are two independent molecules, A and B, in the asymmetric unit in which the dihedral angles between the benzene ring and boron–dipyrromethene mean plane have significantly different values [82.71 (8° for molecule A and 73.16 (8° for molecule B]. Intermolecular C—H...π interactions help to stabilize the crystal structure.

  19. Functional comparison of muscarinic partial agonists at muscarinic receptor subtypes hM1, hM2, hM3, hM4 and hM5 using microphysiometry

    OpenAIRE

    Wood, Martyn D.; Murkitt, Karen L; Ho, Michael; Watson, Jeannette M; Brown, Frank; Hunter, A Jacqueline; Middlemiss, Derek N

    1999-01-01

    This study describes the pharmacological comparison of the muscarinic partial agonists sabcomeline, xanomeline and milameline at human cloned muscarinic receptor subtypes (hM1–5).Radioligand binding studies at the hM1–5 muscarinic receptor subtypes were compared with functional studies using microphysiometry using carbachol as the standard full agonist.In binding assays none of the compounds studied displayed preferential affinity for the M1,3,4 or M5 subtypes although carbachol was less pote...

  20. Entecavir Interacts with Influx Transporters hOAT1, hCNT2, hCNT3, but Not with hOCT2: The Potential for Renal Transporter-Mediated Cytotoxicity and Drug-Drug Interactions

    Czech Academy of Sciences Publication Activity Database

    Mandíková, J.; Volková, M.; Pávek, P.; Navrátilová, L.; Hyršová, L.; Janeba, Zlatko; Pavlík, J.; Bárta, P.; Trejtnar, F.

    2016-01-01

    Roč. 6, Jan 5 (2016), 304/1-304/11. ISSN 1663-9812 Institutional support: RVO:61388963 Keywords : antivirals * nephrotoxicity * renal disposition * drug-drug interactions Subject RIV: CC - Organic Chemistry Impact factor: 3.802, year: 2014 http://journal.frontiersin.org/article/10.3389/fphar.2015.00304/full

  1. 10a-Hydroxy-9-(4-methoxyphenyl-3,4,5,6,7,8a,9,10a-octahydro-1H-xanthene-1,8(2H-dione

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2012-08-01

    Full Text Available In the title compound, C20H22O5, the tetrahydropyran, cyclohexene and cyclohexane rings of the xanthene ring system adopt half-chair, half-boat and chair conformations, respectively. The mean plane of the four roughly planar atoms of the tetrahydropyran ring (r.m.s. deviation = 0.111 Å forms a dihedral angle of 82.91 (4° with the methoxybenzene group. In the crystal, molecules are linked via O—H...O and C—H...O hydrogen bonds into sheets lying parallel to the ac plane. The crystal is further consolidated by weak C—H...π interactions.

  2. Structural characterization, molecular dynamics, dielectric and spectroscopic properties of tetrakis(pyrazolium) bis(μ 2-bromo-tetrabromobismuthate(III)) dihydrate, [C 3N 2H 5] 4[Bi 2Br 10]·2H 2O

    Science.gov (United States)

    Piecha, A.; Kinzhybalo, V.; Jakubas, R.; Baran, J.; Medycki, W.

    2007-11-01

    The structure of [C 3N 2H 5] 4[Bi 2Br 10]·2H 2O, (PBB) was determined by single crystal X-ray diffraction at 100 K. It crystallizes in the monoclinic space group C2/ m, with a = 12.992(4) Å, b = 16.326(5) Å, c = 8.255(3) Å, β = 108.56°(3), V = 1659.9(9) Å 3 and Z = 2. The structure consists of discrete binuclear [Bi 2Br 10] 4- anions, ordered pyrazolium cations and water molecules. The crystal packing is governed by strong N-H⋯O and weak O-H⋯Br hydrogen bonds. A sequence of structural phase transitions in PBB was established on the basis of differential scanning calorimetry and dilatometric studies. Two reversible first-order phase transitions were found: (I → II) at 381/371 K (on heating/cooling) and (II → III) at 348/338 K. Dielectric response near both phase transitions is characteristic of crystals with the "plastic-like" phases. Over the phase III a low frequency dielectric relaxator is disclosed. The possible molecular motions in the PBB compound are characterized by the 1H NMR studies. The infrared spectra of polycrystalline compound in the temperature range 300-380 K are reported for the region 4000-400 cm -1. The observed spectral changes through the structural phase transition III → II are attributed to an onset of motion both of the pyrazolium cations and water molecules.

  3. Calculational and Experimental Investigations of the Pressure Effects on Radical - Radical Cross Combinations Reactions: C2H5 + C2H3

    Science.gov (United States)

    Fahr, Askar; Halpern, Joshua B.; Tardy, Dwight C.

    2007-01-01

    Pressure-dependent product yields have been experimentally determined for the cross-radical reaction C2H5 + C2H3. These results have been extended by calculations. It is shown that the chemically activated combination adduct, 1-C4H8*, is either stabilized by bimolecular collisions or subject to a variety of unimolecular reactions including cyclizations and decompositions. Therefore the "apparent" combination/disproportionation ratio exhibits a complex pressure dependence. The experimental studies were performed at 298 K and at selected pressures between about 4 Torr (0.5 kPa) and 760 Torr (101 kPa). Ethyl and vinyl radicals were simultaneously produced by 193 nm excimer laser photolysis of C2H5COC2H3 or photolysis of C2H3Br and C2H5COC2H5. Gas chromatograph/mass spectrometry/flame ionization detection (GC/MS/FID) were used to identify and quantify the final reaction products. The major combination reactions at pressures between 500 (66.5 kPa) and 760 Torr are (1c) C2H5 + C2H3 yields 1-butene, (2c) C2H5 + C2H5 yields n-butane, and (3c) C2H3 + C2H3 yields 1,3-butadiene. The major products of the disproportionation reactions are ethane, ethylene, and acetylene. At moderate and lower pressures, secondary products, including propene, propane, isobutene, 2-butene (cis and trans), 1-pentene, 1,4-pentadiene, and 1,5-hexadiene are also observed. Two isomers of C4H6, cyclobutene and/or 1,2-butadiene, were also among the likely products. The pressure-dependent yield of the cross-combination product, 1-butene, was compared to the yield of n-butane, the combination product of reaction (2c), which was found to be independent of pressure over the range of this study. The [ 1-C4H8]/[C4H10] ratio was reduced from approx.1.2 at 760 Torr (101 kPa) to approx.0.5 at 100 Torr (13.3 kPa) and approx.0.1 at pressures lower than about 5 Torr (approx.0.7 kPa). Electronic structure and RRKM calculations were used to simulate both unimolecular and bimolecular processes. The relative importance

  4. Gametocidal chromosomes enhancing chromosome aberration in common wheat induced by 5-azacytidine.

    Science.gov (United States)

    Su, W-Y; Cong, W-W; Shu, Y-J; Wang, D; Xu, G-H; Guo, C-H

    2013-01-01

    The gametocidal (Gc) chromosome from Aegilops spp induces chromosome mutation, which is introduced into common wheat as a tool of chromosome manipulation for genetic improvement. The Gc chromosome functions similar to a restriction-modification system in bacteria, in which DNA methylation is an important regulator. We treated root tips of wheat carrying Gc chromosomes with the hypomethylation agent 5-azacytidine; chromosome breakage and micronuclei were observed in these root tips. The frequency of aberrations differed in wheat containing different Gc chromosomes, suggesting different functions inducing chromosome breakage. Gc chromosome 3C caused the greatest degree of chromosome aberration, while Gc chromosome 3C(SAT) and 2C caused only slight chromosome aberration. Gc chromosome 3C induced different degrees of chromosome aberration in wheat varieties Triticum aestivum var. Chinese Spring and Norin 26, demonstrating an inhibition function in common wheat. PMID:23884766

  5. Structural reassignment, absolute configuration, and conformation of hypurticin, a highly flexible polyacyloxy-6-heptenyl-5,6-dihydro-2H-pyran-2-one.

    Science.gov (United States)

    Mendoza-Espinoza, José Alberto; López-Vallejo, Fabian; Fragoso-Serrano, Mabel; Pereda-Miranda, Rogelio; Cerda-García-Rojas, Carlos M

    2009-04-01

    The structural reassignment, absolute configuration, and conformational behavior of the highly flexible natural product hypurticin (pectinolide E), 6S-[3'S,5'R,6'S-triacetoxy-1Z-heptenyl]-5S-acetoxy-5,6-dihydro-2H-pyran-2-one (1), were ascertained by a molecular modeling protocol, which includes extensive conformational searching, geometry optimization by DFT B3LYP/DGDZVP calculations, and comparison between the theoretical (DFT) and experimental (1)H-(1)H NMR coupling constants. Hyptolide (2), a related cytotoxic 5,6-dihydro-2H-pyran-2-one that increased the S phase of the HeLa cell cycle, was employed as a reference substance to validate the theoretical protocol designed to characterize the 3D properties of compound 1. The related synthetic derivative, tri-O-acetyl-3,6-dideoxy-d-glucose diphenyldithioacetal (14), was prepared by a six-step reaction sequence starting from d-glucose and served as an enantiopure building block to reinforce the structural and configurational assignment of 1. This protocol proved to be an important tool for the structural characterization of highly flexible bioactive polyoxygenated natural products. PMID:19265396

  6. An economical method for production of (2H, (13CH3-threonine for solution NMR studies of large protein complexes: application to the 670 kDa proteasome.

    Directory of Open Access Journals (Sweden)

    Algirdas Velyvis

    Full Text Available NMR studies of very high molecular weight protein complexes have been greatly facilitated through the development of labeling strategies whereby (13CH(3 methyl groups are introduced into highly deuterated proteins. Robust and cost-effective labeling methods are well established for all methyl containing amino acids with the exception of Thr. Here we describe an inexpensive biosynthetic strategy for the production of L-[α-(2H; β-(2H;γ-(13C]-Thr that can then be directly added during protein expression to produce highly deuterated proteins with Thr methyl group probes of structure and dynamics. These reporters are particularly valuable, because unlike other methyl containing amino acids, Thr residues are localized predominantly to the surfaces of proteins, have unique hydrogen bonding capabilities, have a higher propensity to be found at protein nucleic acid interfaces and can play important roles in signaling pathways through phosphorylation. The utility of the labeling methodology is demonstrated with an application to the 670 kDa proteasome core particle, where high quality Thr (13C,(1H correlation spectra are obtained that could not be generated from samples prepared with commercially available U-[(13C,(1H]-Thr.

  7. Chromosome conservation in squamate reptiles revealed by comparative chromosome painting

    Czech Academy of Sciences Publication Activity Database

    Giovannotti, M.; Pokorná, Martina; Kratochvíl, L.; Caputo, V.; Olmo, E.; Ferguson-Smith, M. A.; Rens, W.

    Manchester : ICCS, 2011. 78-78. [Intarnational Chromosome Conference /18./. 29.08.2011-02.09.2011, Manchester] Institutional research plan: CEZ:AV0Z50450515 Keywords : squamate reptiles Subject RIV: EG - Zoology

  8. Numerous transitions of sex chromosomes in Diptera.

    Directory of Open Access Journals (Sweden)

    Beatriz Vicoso

    2015-04-01

    Full Text Available Many species groups, including mammals and many insects, determine sex using heteromorphic sex chromosomes. Diptera flies, which include the model Drosophila melanogaster, generally have XY sex chromosomes and a conserved karyotype consisting of six chromosomal arms (five large rods and a small dot, but superficially similar karyotypes may conceal the true extent of sex chromosome variation. Here, we use whole-genome analysis in 37 fly species belonging to 22 different families of Diptera and uncover tremendous hidden diversity in sex chromosome karyotypes among flies. We identify over a dozen different sex chromosome configurations, and the small dot chromosome is repeatedly used as the sex chromosome, which presumably reflects the ancestral karyotype of higher Diptera. However, we identify species with undifferentiated sex chromosomes, others in which a different chromosome replaced the dot as a sex chromosome or in which up to three chromosomal elements became incorporated into the sex chromosomes, and others yet with female heterogamety (ZW sex chromosomes. Transcriptome analysis shows that dosage compensation has evolved multiple times in flies, consistently through up-regulation of the single X in males. However, X chromosomes generally show a deficiency of genes with male-biased expression, possibly reflecting sex-specific selective pressures. These species thus provide a rich resource to study sex chromosome biology in a comparative manner and show that similar selective forces have shaped the unique evolution of sex chromosomes in diverse fly taxa.

  9. Familial transmission of a deletion of chromosome 21 derived from a translocation between chromosome 21 and an inverted chromosome 22.

    Science.gov (United States)

    Aviv, H; Lieber, C; Yenamandra, A; Desposito, F

    1997-06-27

    Chromosome analysis of a newborn boy with Down syndrome resulted in the identification of a family with an unusual derivative chromosome 22. The child has 46 chromosomes, including two chromosomes 21, one normal chromosome 22, and a derivative chromosome 22. Giemsa banding and fluorescent in situ hybridization (FISH) studies show that the derivative chromosome is chromosome 22 with evidence of both paracentric and pericentric inversions, joined to the long arm of chromosome 21 from 21q21.2 to qter. The rearrangement results in partial trisomy 21 extending from 21q21.2 to 21q terminus in the patient. The child's mother, brother, maternal aunt, and maternal grandmother are all carriers of the derivative chromosome. All have 45 chromosomes, with one normal chromosome 21, one normal chromosome 22, and the derivative chromosome 22. The rearrangement results in the absence of the short arm, the centromere, and the proximal long arm of chromosome 21 (del 21pter-21q21.2) in carriers. Carriers of the derivative chromosome in this family have normal physical appearance, mild learning disabilities and poor social adjustment. PMID:9182781

  10. {sup 1}H-MR spectroscopy in anorexia nervosa. Reversible cerebral metabolic changes; {sup 1}H-MR-Spektroskopie bei Anorexia nervosa: Reversible zerebrale Metabolitenaenderungen

    Energy Technology Data Exchange (ETDEWEB)

    Moeckel, R.; Schlemmer, H.P.; Becker, G.; Koepke, J.; Georgi, M. [Heidelberg Univ. (Germany). Inst. fuer Klinische Radiologie; Gueckel, C.; Goepel, C.; Schmidt, M. [Zentralinstitut fuer Seelische Gesundheit, Mannheim (Germany). Klinik fuer Kinder- und Jugendpsychiatrie; Hentschel, F. [Zentralinstitut fuer Seelische Gesundheit, Mannheim (Germany). Neuroradiologie

    1999-04-01

    Purpose: By using localized {sup 1}H-MR spectroscopy in the brain of patients with anorexia nervosa we wanted to verify our preliminary results and to look for a reversibility of the metabolic changes under therapy. Methods: In 22 patients and 17 healthy volunteers (11 follow-up examinations) single voxel {sup 1}H-MR spectroscopy (TE=50 ms, TM=30 ms, TR=1500 ms, voxel (2 cm){sup 3}, acq.: 256) was used in two different localizations (thalamus and parieto-occipital region). The first examination of the patients was performed before therapy, the follow-up examination at the end of therapy. Results: In both regions of the brain we found a statistically significant elevation of the Cho/Cr-ratio in comparison to normal controls. The follow-up examinations revealed reversibility of the metabolic changes under successful therapy. Conclusion: {sup 1}H-MR spectroscopy reveals metabolic changes in the brain of patients with anorexia nervosa, which are reversible under successful therapy. These metabolic changes can be conclusively explained using a biochemical model. (orig.) [Deutsch] Ziel: Im Rahmen dieser weiterfuehrenden Studie sollten die bisherigen Ergebnisse der lokalisierten {sup 1}H-MR-Spektroskopie des Gehirns an Patienten mit Anorexia nervosa verifiziert werden. Weiter sollte ueberprueft werden, ob die von uns nachgewiesenen metabolischen Veraenderungen unter Therapie reversibel sind. Methode: Die {sup 1}H-MR-Spektren wurden bei 22 Patientinnen und 17 Probanden (11 Verlaufskontrollen) in Einzelvolumentechnik (TE=50 ms, TM=30 ms, TR=1500 ms, Voxel: (2 cm){sup 3}, Acq.: 256) in zwei unterschiedlichen Hirnregionen (Thalamus, parieto-okzipitale Region) durchgefuehrt. Die erste Untersuchung der Patienten erfolgte bei Aufnahme und die Verlaufskontrolle zum Abschluss der stationaeren Behandlung. Ergebnisse: Bei den Patienten wurde in beiden Hirnregionen ein statistisch signifikant erhoehter Wert fuer das Cho/Cr-Verhaeltnis im Vergleich zu dem Normalkollektiv nachgewiesen

  11. Hyperfine excitation of N$_2$H$^+$ by H$_2$: Toward a revision of N$_2$H$^+$ abundance in cold molecular clouds

    CERN Document Server

    Lique, François; Pagani, Laurent; Feautrier, Nicole

    2014-01-01

    The modelling of emission spectra of molecules seen in interstellar clouds requires the knowledge of collisional rate coefficients. Among the commonly observed species, N$_2$H$^+$ is of particular interest since it was shown to be a good probe of the physical conditions of cold molecular clouds. Thus, we have calculated hyperfine-structure resolved excitation rate coefficients of N$_2$H$^+$(X$^1\\Sigma^+$) by H$_2(j=0)$, the most abundant collisional partner in the cold interstellar medium. The calculations are based on a new potential energy surface, obtained from highly correlated {\\it ab initio} calculations. State-to-state rate coefficients between the first hyperfine levels were calculated, for temperatures ranging from 5 K to 70 K. By comparison with previously published N$_2$H$^+$-He rate coefficients, we found significant differences which cannot be reproduced by a simple scaling relationship. As a first application, we also performed radiative transfer calculations, for physical conditions typical of ...

  12. C2H as a PDR tracer: a case study toward the Orion Bar

    CERN Document Server

    Nagy, Z; Van der Tak, F F S; Faure, A; Makai, Z; Bergin, E A

    2014-01-01

    We study the spatial distribution and abundance of C2H in the prototypical high UV-illumination PDR, the Orion Bar. We analyse Herschel/HIFI maps of C2H, CH, and HCO+, and a NANTEN map of [CI]. We interpret the observed C2H emission using the combination of Herschel/HIFI and NANTEN data with radiative transfer and PDR models. Five rotational transitions of C2H (from N=6-5 up to N=10-9) have been detected in the HIFI frequency range toward the CO+ peak of the Orion Bar. Based on the five detected C2H transitions, a rotation diagram analysis gives a rotation temperature of 67 K and a C2H column density of 5x10^13 cm^-2. A non-LTE radiative transfer model with a C2H column density of 10^14 cm^-2, an H2 volume density of 10^6 cm^-3, a kinetic temperature of 400 K, and an electron density of 10 cm^-3 is required to fit the two highest rotational transitions of C2H. This model gives a reasonable fit to the lower-N transitions as well, however, the N=6-5,...,8-7 transitions are more consistent with lower kinetic tem...

  13. Meiosis and chromosome painting of sex chromosome systems in Ceboidea.

    Science.gov (United States)

    Mudry, M D; Rahn, I M; Solari, A J

    2001-06-01

    The identity of the chromosomes involved in the multiple sex system of Alouatta caraya (Aca) and the possible distribution of this system among other Ceboidea were investigated by chromosome painting of mitotic cells from five species and by analysis of meiosis at pachytene in two species. The identity of the autosome #7 (X2) involved in the multiple system of Aca and its breakage points were demonstrated by both meiosis and chromosome painting. These features are identical to those described by Consigliere et al. [1996] in Alouatta seniculus sara (Assa) and Alouatta seniculus arctoidea (Asar). This multiple system was absent in the other four Ceboidea species studied here. However, data from the literature strongly suggest the presence of this multiple in other members of this genus. The presence of this multiple system among several species and subspecies that show high levels of chromosome rearrangements may suggest a special selective value of this multiple. The meiotic features of the sex systems of Aca and Cebus apella paraguayanus (Cap) are strikingly different at pachytene, as the latter system is similar to the sex pair of man and other primates. The relatively large genetic distances between species presently showing this multiple system suggest that its origin is not recent. Other members of the same genus should be investigated at meiosis and by chromosome painting in order to know the extent and distribution of this complex sex-chromosome system. PMID:11376445

  14. 1H-MRS study of brain metabolic disorder in patients with cyanosed congenital heart disease

    International Nuclear Information System (INIS)

    Objective: To study the metabolic alteration in the brain of patients with cyanosed congenital heart disease (CCHD) by using 1H-magnetic resonance spectroscopy (1H-MRS) and discover the pathophysiology of chronic hypoxic brain, which will help to diagnose and treat this disease completely. Methods: Twenty-five patients with CCHD and 25 controls were performed PRESS 1H-MRS and MRI. The areas under the resonance of metabolites were measured, the ratios of the other metabolites to Cr were calculated and compared. Results: In patients with CCHD, the mean value of NAA/Cr was significantly lower than that in controls (P 0.05). Conclusion: 1H-MRS can detect brain metabolic changes in patients with cyanosed congenital heart disease in vivo noninvasively and can detect the metabolism disorder of the energy and amino acid, so the pathophysiology of this disease can be understood

  15. Synthesis of 2-Substituted Hexahydro-1H-1,4-diazepine Analogues

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    2-substituted hexahydro-1H-1,4-diazepine analogues were synthesized starting from N,N?-dibenzyl-1,3-propylene diamine and methyl-2,3-dibromo propionate through nucleophilic substitution, reduction, chlorination and debenzylation.

  16. On the {sup 1}H NMR spectra of 2-substituted benzoquinones

    Energy Technology Data Exchange (ETDEWEB)

    Tedeschi, E.; Rezende, D.B. [Universidade de Sao Paulo (USP), SP (Brazil). Inst. de Quimica; Arruda Campos, I.P. de, E-mail: ipdacamp@uol.com.br [Universidade Paulista, Sao Paulo, SP (Brazil). Inst. de Ciencias Exatas e Tecnologia. Programa de Pos-Graduacao em Engenharia de Producao

    2009-07-01

    The novel complete analysis of the {sup 1}H NMR spectra of six monosubstituted benzoquinones is reported herein, together with a brief but complete review of the scanty previously published data on benzoquinone and its monosubstituded derivatives. (author)

  17. Proton-detected 3D {sup 1}H/{sup 13}C/{sup 1}H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu [Biophysics and Department of Chemistry, The University of Michigan, Ann Arbor, Michigan 48109-1055 (United States); Nishiyama, Yusuke [JEOL RESONANCE Inc., Musashino, Akishima, Tokyo 196-8558 (Japan); RIKEN CLST-JEOL Collaboration Center, RIKEN, Yokohama, Kanagawa 230-0045 (Japan)

    2015-10-28

    A proton-detected 3D {sup 1}H/{sup 13}C/{sup 1}H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of {sup 13}C-{sup 1}H connectivities, and proximities of {sup 13}C-{sup 1}H and {sup 1}H-{sup 1}H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including {sup 1}H-{sup 1}H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) {sup 1}H/{sup 1}H and 2D {sup 13}C/{sup 1}H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of {sup 1}H-{sup 1}H proximity and {sup 13}C-{sup 1}H connectivity. In addition, the 2D (F1/F2) {sup 1}H/{sup 13}C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of {sup 1}H-{sup 1}H dipolar couplings, enables the measurement of proximities between {sup 13}C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of {sup 1}H-{sup 1}H-{sup 13}C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ⋅ H{sub 2}O ⋅ HCl demonstrate the efficiency of the 3D experiment.

  18. Synthesis, Structure and Characterization of Three Metal Molybdate Hydrates: Fe(H2O)2(MoO4)2·H3O, NaCo2(MoO4)2(H3O2)and Mn2(MoO4)3·2H3O

    Institute of Scientific and Technical Information of China (English)

    YU Yang; FENG Shou-hua; LIU Dan; HU Wei-wei; LI Jia; PENG Yu; ZHOU Qi; YANG Fen; LI Guang-hua; SHI Zhan

    2012-01-01

    Three metal molybdate hydrates,Fe(H2O)2(MoO4)2·H3O(FeMo),NaCo2(MoO4)2(H3O2)(CoMo)and Mn2(MoO4)3·2H3O(MnMo),were synthesized by the mixed-solvent-thermal methods and characterized by singlecrystal X-ray diffraction.X-Ray photoelectron spectroscopy and bond-valence sums were applied to confirming the valance of Fe,Co,Mn and Mo.Thermo-gravimetric analysis and X-ray powder diffraction measurements indicate that the samples were converted to different structural compounds upon heating in air at 600 ℃ for 1 h.The magnetic properties of these compounds were studied.The dominant magnetic interactions are antiferromagnetic in nature.However,different synthesis conditions led to the diversity of magnetic properties of compound CoMo.

  19. Hot-Pressing Effects on Polymer Electrolyte Membrane Investigated by 2H NMR Spectroscopy

    International Nuclear Information System (INIS)

    The structural change of Nafion polymer electrolyte membrane (PEM) induced by hot-pressing, which is one of the representative procedures for preparing membrane-electrode-assembly for low temperature fuel cells, was investigated by 2H nuclear magnetic resonance (NMR) spectroscopy. The hydrophilic channels were asymmetrically flattened and more aligned in the membrane plane than along the hot-pressing direction. The average O-2H director of 2H2O in polymer electrolyte membrane was employed to extract the structural information from the 2H NMR peak splitting data. The dependence of 2H NMR data on water contents was systematically analyzed for the first time. The approach presented here can be used to understand the chemicals' behavior in nano-spaces, especially those reshaping and functioning interactively with the chemicals in the wet and/or mixed state

  20. Structural, elastic and electronic properties of 2H- and 4H-SiC

    Directory of Open Access Journals (Sweden)

    Md. Nuruzzaman

    2015-05-01

    Full Text Available The structural, five different elastic constants and electronic properties of 2H- and 4H-Silicon carbide (SiC are investigated by using density functional theory (DFT. The total energies of primitive cells of 2H- and 4H-SiC phases are close to each other and moreover satisfy the condition E2H >E4H . Thus, the 4H-SiC structure appears to be more stable than the 2H- one. The analysis of elastic properties also indicates that the 4H-SiC polytype is stiffer than the 2H structures. The electronic energy bands, the total density of states (DOS are calculated. The fully relaxed and isotropic bulk modulus is also estimated. The implication of the comparison of our results with the existing experimental and theoretical studies is made.

  1. The transcriptional regulator c2h2 accelerates mushroom formation in Agaricus bisporus.

    Science.gov (United States)

    Pelkmans, Jordi F; Vos, Aurin M; Scholtmeijer, Karin; Hendrix, Ed; Baars, Johan J P; Gehrmann, Thies; Reinders, Marcel J T; Lugones, Luis G; Wösten, Han A B

    2016-08-01

    The Cys2His2 zinc finger protein gene c2h2 of Schizophyllum commune is involved in mushroom formation. Its inactivation results in a strain that is arrested at the stage of aggregate formation. In this study, the c2h2 orthologue of Agaricus bisporus was over-expressed in this white button mushroom forming basidiomycete using Agrobacterium-mediated transformation. Morphology, cap expansion rate, and total number and biomass of mushrooms were not affected by over-expression of c2h2. However, yield per day of the c2h2 over-expression strains peaked 1 day earlier. These data and expression analysis indicate that C2H2 impacts timing of mushroom formation at an early stage of development, making its encoding gene a target for breeding of commercial mushroom strains. PMID:27207144

  2. 1H NMR profiling as an approach to differentiate conventionally and organically grown tomatoes.

    Science.gov (United States)

    Hohmann, Monika; Christoph, Norbert; Wachter, Helmut; Holzgrabe, Ulrike

    2014-08-20

    This study describes the approach of (1)H NMR profiling for the authentication of organically produced tomatoes (Solanum lycopersicum). Overall, 361 tomato samples of two different cultivars and four different producers were regularly analyzed during a 7 month period. The results of principal component analysis showed a significant trend for the separation between organically and conventionally produced tomatoes (p cultivation method, yet the results indicate significant differences between (1)H NMR spectra of organically and conventionally grown tomatoes. PMID:25066078

  3. Regioselective Synthesis and Base Catalyzed Transacylation of Substituted 1H-Pyrazole-4-carboxamides

    Institute of Scientific and Technical Information of China (English)

    REN,Jun(任军); ZHANG,Xiao-Hong(张晓弘); LIU,Ying(刘莹); CHEN,Wei-Qiang(陈卫强); JIN,Gui-Yu(金桂玉)

    2002-01-01

    New type of substituted 1H-pyrazole-4-carboxamides were obtained by regioselective synthesis under the catalysis of different bases. The structures of the title compounds were confirmed by elemental analysis, 1H NMR, IR, MS and X-ray crystallogaphy. Compounds 1 were transacylated into their corresponding amides 3 in the presence of sodium hydride.Preliminary bioassays indicated that some compounds showed fungicidal activities against Rhizoctonia solani and Sclerotinia sclerotiorum.

  4. Complete (1)H, (15)N and (13)C assignment of trappin-2 and (1)H assignment of its two domains, elafin and cementoin.

    Science.gov (United States)

    Loth, Karine; Alami, Soha Abou Ibrahim; Habès, Chahrazed; Garrido, Solène; Aucagne, Vincent; Delmas, Agnès F; Moreau, Thierry; Zani, Marie-Louise; Landon, Céline

    2016-04-01

    Trappin-2 is a serine protease inhibitor with a very narrow inhibitory spectrum and has significant anti-microbial activities. It is a 10 kDa cationic protein composed of two distinct domains. The N-terminal domain (38 residues) named cementoin is known to be intrinsically disordered when it is not linked to the elafin. The C-terminal domain (57 residues), corresponding to elafin, is a cysteine-rich domain stabilized by four disulfide bridges and is characterized by a flat core and a flexible N-terminal part. To our knowledge, there is no structural data available on trappin-2. We report here the complete (1)H, (15)N and (13)C resonance assignment of the recombinant trappin-2 and the (1)H assignments of cementoin and elafin, under the same experimental conditions. This is the first step towards the 3D structure determination of the trappin-2. PMID:26878852

  5. catena-Poly[[(diiodidocadmium-μ-{1-[(1H-benzimidazol-2-ylmethyl]-1H-imidazole-κ2N:N′}] N,N-dimethylformamide monosolvate

    Directory of Open Access Journals (Sweden)

    Bingtao Liu

    2011-12-01

    Full Text Available In the title complex, {[CdI2(C11H10N4]·C3H7NO}n, the CdII ion is four-coordinated by two N atoms from two 1-[(1H-benzimidazol-1-ylmethyl]-1H-imidazole (bmi ligands and by two terminal I− anions in a distorted tetrahedral geometry. One of the two I− anions is disordered over two sets of sites, with refined occupancies of 0.66 (5 and 0.34 (5. The CdII ions are bridged by bmi ligands, leading to the formation of a chain along [001]. Dimethylformamide solvent molecules are located between these chains. Classical N—H...O hydrogen bonding between the bmi ligands and the solvent molecules leads to a consolidation of the structure.

  6. Hydrogen bridging in the compounds X2H (X=Al,Si,P,S)

    Science.gov (United States)

    Owens, Zachary T.; Larkin, Joseph D.; Schaefer, Henry F.

    2006-10-01

    X2H hydrides (X =Al, Si, P, and S) have been investigated using coupled cluster theory with single, double, and triple excitations, the latter incorporated as a perturbative correction [CCSD(T)]. These were performed utilizing a series of correlation-consistent basis sets augmented with diffuse functions (aug-cc-pVXZ, X =D, T, and Q). Al2H and Si2H are determined to have H-bridged C2v structures in their ground states: the Al2H ground state is of B12 symmetry with an Al-H-Al angle of 87.6°, and the Si2H ground state is of A12 symmetry with a Si-H-Si angle of 79.8°. However, P2H and S2H have nonbridged, bent Cs structures: the P2H ground state is of A'2 symmetry with a P-P-H angle of 97.0°, and the S2H ground state is of A'2 symmetry with a S-S-H angle of 93.2°. Ground state geometries, vibrational frequencies, and electron affinities have been computed at all levels of theory. Our CCSD(T)/aug-cc-pVQZ adiabatic electron affinity of 2.34eV for the Si2H radical is in excellent agreement with the photoelectron spectroscopy experiments of Xu et al. [J. Chem. Phys. 108, 7645 (1998)], where the electron affinity was determined to be 2.31±0.01eV.

  7. Chromosome fragility in Freemartin cattle

    Directory of Open Access Journals (Sweden)

    V. Barbieri

    2010-04-01

    Full Text Available The aim of the present study was to verify chromosome fragility in freemartin cattle using chromosome aberration (CA and sister chromatid exchange (SCE tests. A total of eighteen co-twins were investigated. Fourteen animals were identified as cytogenetically chimeric (2n=60, XX/XY while 4 were classified as normal. Freemartin cattle showed a higher percentage of aneuploid cells (18.64% and highly significant statistical differences (P < 0.001 in mean values of gaps (4.53 ± 2.05, chromatid breaks (0.26 ± 0.51, and significant statistical differences (P < 0.005 in mean values of chromosome breaks (0.12 ± 0.43 when compared to 10 control animals from single births (aneuploid cells, 11.20%; gaps, 2.01 ± 1.42; chromatid breaks, 0.05 ± 0.22; chromosome breaks, 0.02 ± 0.14.

  8. Methods for chromosome-specific staining

    Science.gov (United States)

    Gray, Joe W.; Pinkel, Daniel

    1995-01-01

    Methods and compositions for chromosome-specific staining are provided. Compositions comprise heterogenous mixtures of labeled nucleic acid fragments having substantially complementary base sequences to unique sequence regions of the chromosomal DNA for which their associated staining reagent is specific. Methods include methods for making the chromosome-specific staining compositions of the invention, and methods for applying the staining compositions to chromosomes.

  9. Chromosome Architecture and Genome Organization

    OpenAIRE

    Giorgio Bernardi

    2015-01-01

    How the same DNA sequences can function in the three-dimensional architecture of interphase nucleus, fold in the very compact structure of metaphase chromosomes and go precisely back to the original interphase architecture in the following cell cycle remains an unresolved question to this day. The strategy used to address this issue was to analyze the correlations between chromosome architecture and the compositional patterns of DNA sequences spanning a size range from a few hundreds to a few...

  10. Chromosome evolution in Neotropical butterflies

    OpenAIRE

    Saura, Anssi; Von Schoultz, Barbara; Saura, Anja O.; Brown, Keith S., Jr.

    2013-01-01

    We list the chromosome numbers for 65 species of Neotropical Hesperiidae and 104 species or subspecies of Pieridae. In Hesperiidae the tribe Pyrrhopygini have a modal n = 28, Eudaminae and Pyrgini a modal n = 31, while Hesperiinae have n = around 29. Among Pieridae, Coliadinae have a strong modal n = 31 and among Pierinae Anthocharidini are almost fixed for n = 15 while Pierini vary with n = 26 as the most common chromosome number. Dismorphiinae show wide variation. We discuss these results i...

  11. Numerically abnormal chromosome constitutions in humans

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-12-31

    Chapter 24, discusses numerically abnormal chromosome constitutions in humans. This involves abnormalities of human chromosome number, including polyploidy (when the number of sets of chromosomes increases) and aneuploidy (when the number of individual normal chromosomes changes). Chapter sections discuss the following chromosomal abnormalities: human triploids, imprinting and uniparental disomy, human tetraploids, hydatidiform moles, anomalies caused by chromosomal imbalance, 13 trisomy (D{sub 1} trisomy, Patau syndrome), 21 trisomy (Down syndrome), 18 trisomy syndrome (Edwards syndrome), other autosomal aneuploidy syndromes, and spontaneous abortions. The chapter concludes with remarks on the nonrandom participation of chromosomes in trisomy. 69 refs., 3 figs., 4 tabs.

  12. Structural characterization, thermal, dielectric, vibrational properties and molecular motions in [C3N2H5]6[Bi4Br18

    International Nuclear Information System (INIS)

    [C3N2H5]6[Bi4Br18] has been synthesized and characterized by the X-ray (at 293 and 110 K), calorimetric, dilatometric and dielectric measurements. At room temperature it crystallizes in the monoclinic space group, C2/m. A crystal structure consists of disordered imidazolium cations and ordered discrete tetramers of [Bi4Br18]6-. This compound reveals a rich polymorphism in a solid state. It undergoes three solid-solid phase transitions: from phase I to II at 426/423 K (heating-cooling), II→III at 227 K and III→IV at 219.5/219 K. A clear dielectric relaxation process is found in the room temperature phase II. Infrared studies of the polycrystalline [C3N2H5]6[Bi4Br18] showed that the ν(N-H), δ(ring) and δ(C-H) modes of the imidazolium cations appeared to be very sensitive to the IV→III phase transition. 1H NMR measurements confirmed a key role of the imidazolium cations in the phase transitions mechanisms at low temperatures. - [C3N2H5]6[Bi4Br18] has been synthesized and characterized by the X-ray (at 293 and 110 K), calorimetric, dilatometric and dielectric measurements. A crystal structure consists of disordered imidazolium cations and ordered discrete tetramers of [Bi4Br18]6-.

  13. Chromosome evolution in Neotropical butterflies.

    Science.gov (United States)

    Saura, Anssi; Von Schoultz, Barbara; Saura, Anja O; Brown, Keith S

    2013-06-01

    We list the chromosome numbers for 65 species of Neotropical Hesperiidae and 104 species or subspecies of Pieridae. In Hesperiidae the tribe Pyrrhopygini have a modal n = 28, Eudaminae and Pyrgini a modal n = 31, while Hesperiinae have n = around 29. Among Pieridae, Coliadinae have a strong modal n = 31 and among Pierinae Anthocharidini are almost fixed for n = 15 while Pierini vary with n = 26 as the most common chromosome number. Dismorphiinae show wide variation. We discuss these results in the context of chromosome numbers of over 1400 Neotropical butterfly species and subspecies derived from about 3000 populations published here and in earlier papers of a series. The overall results show that many Neotropical groups are characterized by karyotype instability with several derived modal numbers or none at all, while almost all taxa of Lepidoptera studied from the other parts of the world have one of n = 29-31 as modal numbers. Possibly chromosome number changes become fixed in the course of speciation driven by biotic interactions. Population subdivision and structuring facilitate karyotype change. Factors that stabilize chromosome numbers include hybridization among species sharing the same number, migration, sexual selection and possibly the distribution of chromosomes within the nucleus. PMID:23865963

  14. Chromosome Architecture and Genome Organization

    Science.gov (United States)

    Bernardi, Giorgio

    2015-01-01

    How the same DNA sequences can function in the three-dimensional architecture of interphase nucleus, fold in the very compact structure of metaphase chromosomes and go precisely back to the original interphase architecture in the following cell cycle remains an unresolved question to this day. The strategy used to address this issue was to analyze the correlations between chromosome architecture and the compositional patterns of DNA sequences spanning a size range from a few hundreds to a few thousands Kilobases. This is a critical range that encompasses isochores, interphase chromatin domains and boundaries, and chromosomal bands. The solution rests on the following key points: 1) the transition from the looped domains and sub-domains of interphase chromatin to the 30-nm fiber loops of early prophase chromosomes goes through the unfolding into an extended chromatin structure (probably a 10-nm “beads-on-a-string” structure); 2) the architectural proteins of interphase chromatin, such as CTCF and cohesin sub-units, are retained in mitosis and are part of the discontinuous protein scaffold of mitotic chromosomes; 3) the conservation of the link between architectural proteins and their binding sites on DNA through the cell cycle explains the “mitotic memory” of interphase architecture and the reversibility of the interphase to mitosis process. The results presented here also lead to a general conclusion which concerns the existence of correlations between the isochore organization of the genome and the architecture of chromosomes from interphase to metaphase. PMID:26619076

  15. Reactive scattering of carbon atoms: the reaction dynamics of C(3P, 1D) +C2H2 and C2H4

    International Nuclear Information System (INIS)

    The reaction dynamics of C(3P, 1D) with acetylene and ethylene have been investigated by using the crossed beam technique with mass spectrometric detection and time-of-flight (TOF) analysis. The novel capability of generating continuous supersonic beams of carbon atoms by a radio-frequency discharge beam source is exploited. From angular and velocity distribution measurements, the primary reaction products are identified, their relative importance assessed, and their dynamics of formation characterized. While the reaction C(3P) + C2H2(X1Σg+) has been found to lead to C3H + H and C3(X1Σg+) + H2(X1Σg+) in comparable amount, the reaction C(3P) + C2H4(X1At) has been found to lead, predominantly, to H + C3H3 (propargylene). The dynamics of the C(1D) reactions are also characterized. The spin-forbidden H2 elimination channel in the reaction C(3P) + C2H2 is attributed to the occurrence of inter-system-crossing between the triplet and singlet manifold of the C3H2 potential energy surfaces. Interestingly, these findings provide evidence that the C(3P) + C2H2 reaction maybe the source of both C3H and C3 species detected in the extreme environment of dense interstellar clouds and outflows of carbon stars, as well as in combustion systems. (author)

  16. Evolution of Sex Chromosomes in Insects

    OpenAIRE

    Kaiser, Vera B; Bachtrog, Doris

    2010-01-01

    Sex chromosomes have many unusual features relative to autosomes. Y (or W) chromosomes lack genetic recombination, are male- (female-) limited, and show an abundance of genetically inert heterochromatic DNA but contain few functional genes. X (or Z) chromosomes also show sex-biased transmission (i.e., X chromosomes show female-biased and Z-chromosomes show male-biased inheritance) and are hemizygous in the heterogametic sex. Their unusual ploidy level and pattern of inheritance imply that sex...

  17. SMA observations of C2H in High-Mass Star Forming Regions

    CERN Document Server

    Jiang, Xue-Jian; Zhang, Qizhou; Wang, Junzhi; Zhang, Zhi-Yu; Li, Juan; Gao, Yu; Gu, Qiusheng

    2015-01-01

    C$_2$H is a representative hydrocarbon that is abundant and ubiquitous in the interstellar medium (ISM). To study its chemical properties, we present Submillimeter Array (SMA) observations of the C$_2$H $N=3-2$ and HC$_3$N $J=30-29$ transitions and the 1.1 mm continuum emission toward four OB cluster-forming regions, AFGL 490, ON 1, W33 Main, and G10.6-0.4, which cover a bolometric luminosity range of $\\sim$10$^3$--10$^6$ $L_{\\odot}$. We found that on large scales, the C$_2$H emission traces the dense molecular envelope. However, for all observed sources, the peaks of C$_2$H emission are offset by several times times 10$^4$ AU from the peaks of 1.1 mm continuum emission, where the most luminous stars are located. By comparing the distribution and profiles of C$_2$H hyperfine lines and the 1.1 mm continuum emission, we find that the C$_2$H column density (and abundance) around the 1.1 mm continuum peaks is lower than those in the ambient gas envelope. Chemical models suggest that C$_2$H might be transformed to...

  18. Chromatin remodeling enzyme Snf2h regulates embryonic lens differentiation and denucleation.

    Science.gov (United States)

    He, Shuying; Limi, Saima; McGreal, Rebecca S; Xie, Qing; Brennan, Lisa A; Kantorow, Wanda Lee; Kokavec, Juraj; Majumdar, Romit; Hou, Harry; Edelmann, Winfried; Liu, Wei; Ashery-Padan, Ruth; Zavadil, Jiri; Kantorow, Marc; Skoultchi, Arthur I; Stopka, Tomas; Cvekl, Ales

    2016-06-01

    Ocular lens morphogenesis is a model for investigating mechanisms of cellular differentiation, spatial and temporal gene expression control, and chromatin regulation. Brg1 (Smarca4) and Snf2h (Smarca5) are catalytic subunits of distinct ATP-dependent chromatin remodeling complexes implicated in transcriptional regulation. Previous studies have shown that Brg1 regulates both lens fiber cell differentiation and organized degradation of their nuclei (denucleation). Here, we employed a conditional Snf2h(flox) mouse model to probe the cellular and molecular mechanisms of lens formation. Depletion of Snf2h induces premature and expanded differentiation of lens precursor cells forming the lens vesicle, implicating Snf2h as a key regulator of lens vesicle polarity through spatial control of Prox1, Jag1, p27(Kip1) (Cdkn1b) and p57(Kip2) (Cdkn1c) gene expression. The abnormal Snf2h(-/-) fiber cells also retain their nuclei. RNA profiling of Snf2h(-/) (-) and Brg1(-/-) eyes revealed differences in multiple transcripts, including prominent downregulation of those encoding Hsf4 and DNase IIβ, which are implicated in the denucleation process. In summary, our data suggest that Snf2h is essential for the establishment of lens vesicle polarity, partitioning of prospective lens epithelial and fiber cell compartments, lens fiber cell differentiation, and lens fiber cell nuclear degradation. PMID:27246713

  19. Trends and variations in CO, C2H6, and HCN in the Southern Hemisphere point to the declining anthropogenic emissions of CO and C2H6

    Directory of Open Access Journals (Sweden)

    N. B. Jones

    2012-08-01

    Full Text Available We analyse the carbon monoxide (CO, ethane (C2H6 and hydrogen cyanide (HCN partial columns (from the ground to 12 km derived from measurements by ground-based solar Fourier Transform Spectroscopy at Lauder, New Zealand (45° S, 170° E, and at Arrival Heights, Antarctica (78° S, 167° E, from 1997 to 2009. Significant negative trends are calculated for all species at both locations, based on the daily-mean observed time series, namely CO (−0.94 ± 0.47% yr−1, C2H6 (−2.37 ± 1.18% yr−1 and HCN (−0.93 ± 0.47% yr−1 at Lauder and CO (−0.92 ± 0.46% yr−1, C2H6 (−2.82 ± 1.37% yr−1 and HCN (−1.41 ± 0.71% yr−1 at Arrival Heights. The uncertainties reflect the 95% confidence limits. However, the magnitudes of the trends are influenced by the anomaly associated with the 1997–1998 El Niño Southern Oscillation event at the beginning of the time series reported. We calculate trends for each month from 1997 to 2009 and find negative trends for all months. The largest monthly trends of CO and C2H6 at Lauder, and to a lesser degree at Arrival Heights, occur during austral spring during the Southern Hemisphere tropical and subtropical biomass burning period. For HCN, the largest monthly trends occur in July and August at Lauder and around November at Arrival Heights. The correlations between CO and C2H6 and between CO and HCN at Lauder in September to November, when the biomass burning maximizes, are significantly larger that those in other seasons. A tropospheric chemistry-climate model is used to simulate CO, C2H6, and HCN partial columns for the period of 1997–2009, using interannually varying biomass burning emissions from GFED3 and annually periodic but seasonally varying emissions from both biogenic and anthropogenic sources. The model-simulated partial columns of these species compare well with the measured partial columns and the model accurately reproduces seasonal cycles of all three species at both locations. However

  20. Optical emission spectroscopy study of premixed C2H4/O2 and C2H4/C2H2/O2 flames for diamond growth with and without CO2 laser excitation

    Science.gov (United States)

    He, X. N.; Gebre, T.; Shen, X. K.; Xie, Z. Q.; Zhou, Y. S.; Lu, Y. F.

    2010-02-01

    Optical emission spectroscopy (OES) measurements were carried out to study premixed C2H4/O2 and C2H4/C2H2/O2 combustion flame for diamond deposition with and without a CO2 laser excitation. Strong emissions from radicals C2 and CH were observed in the visible range in all the OES spectra acquired. By adding a continuous-wave CO2 laser to irradiate the flame at a wavelength of 10.591 μm, the common CO2 laser wavelength, it was discovered that the emission intensities of the C2 and CH radicals were increased due to the laser beam induced excitation. OES measurements of the C2 and CH radicals were performed using different gas combinations and laser powers. The rotational temperatures in the flame were determined by analyzing the spectra of the R-branch of the A2Δ-->X2Π (0, 0) electronic transition near 430 nm (CH band head). Information obtained from the OES spectra, including the emission intensities of the C2 and CH radicals, the intensity ratios, and the rotational temperatures, was integrated into the study of diamond deposition on tungsten carbide substrates for mechanism analysis of the laser induced vibrational excitation and laser-assisted diamond deposition.

  1. Higgs phenomenology in Type-I 2HDM with U(1)H Higgs gauge symmetry

    International Nuclear Information System (INIS)

    It is well known that generic two-Higgs-doublet models (2HDMs) suffer from potentially large Higgs-mediated flavor-changing neutral current (FCNC) problem, unless additional symmetries are imposed on the Higgs fields thereby respecting the Natural Flavor Conservation Criterion (NFC) by Glashow and Weinberg. A common way to respect the NFC is to impose Z2 symmetry which is softly broken by a dim-2 operator. Another new way is to introduce local U(1)H Higgs flavor symmetry that distinguishes one Higgs doublet from the other. In this paper, we consider the Higgs phenomenology in Type-I 2HDMs with the U(1)H symmetry with the simplest U(1)H assignments that the SM fermions are all neutral under U(1)H, and we make detailed comparison with the ordinary Type-I 2HDM. After imposing various constraints such as vacuum stability and perturbativity as well as the electroweak precision observables and collider search bounds on charged Higgs boson, we find that the allowed Higgs signal strengths in our model are much broader than those in the ordinary Type-I 2HDM, because of newly introduced U(1)H-charged singlet scalar and U(1)H gauge boson. Still the ATLAS data on gg→h→γγ cannot be accommodated. Our model could be distinguished from the ordinary 2HDM with the Z2 symmetry in a certain parameter region and some channels. If the couplings of the new boson turn out to be close to those in the SM, it would be essential to search for extra U(1)H gauge boson and/or one more neutral scalar boson to distinguish two models

  2. Stress corrosion cracking of 13Cr steels in CO2-H2S-Cl- environments

    International Nuclear Information System (INIS)

    SCC behavior of two type 13Cr steels was investigated in aqueous CO2/H2S environments. The 13Cr steels were less resistant to SCC in CO2/H2S environments than low alloy steels, but some 13Cr steels were not subject to SCC even at a hydrogen sulfide partial pressure of 0.3 atm. Further, it was found that SCC in a CO2/H2S environment was caused by hydrogen embrittlement and that the SCC susceptibility of 13Cr steels was affected by their intergranular cracking behavior. Thus, their microstructures and carbide dispersions are important factors to SCC susceptibility of 13Cr steels

  3. Clinical significance of 2 h plasma concentrations of first-line anti-tuberculosis drugs

    DEFF Research Database (Denmark)

    Prahl, Julie B; Johansen, Isik S; Cohen, Arieh S;

    2014-01-01

    OBJECTIVES: To study 2 h plasma concentrations of the first-line tuberculosis drugs isoniazid, rifampicin, ethambutol and pyrazinamide in a cohort of patients with tuberculosis in Denmark and to determine the relationship between the concentrations and the clinical outcome. METHODS: After 6...... patients. Therapy failure occurred more frequently when the concentrations of isoniazid and rifampicin were both below the normal ranges (P = 0.013) and even more frequently when they were below the median 2 h drug concentrations obtained in the study (P = 0.005). CONCLUSIONS: At 2 h, plasma concentrations...

  4. Experimental and kinetic modeling study of C2H4 oxidation at high pressure

    DEFF Research Database (Denmark)

    Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, Maria;

    2009-01-01

    A detailed chemical kinetic model for oxidation of C2H4 in the intermediate temperature range and high pressure has been developed and validated experimentally. New ab initio calculations and RRKM analysis of the important C2H3 + O-2 reaction was used to obtain rate coefficients over a wide range...... bar, varying the reaction stoichiometry from very lean to fuel-rich conditions. Model predictions are generally satisfactory. The governing reaction mechanisms are outlined based on calculations with the kinetic model. Under the investigated conditions the oxidation pathways for C2H4 are more complex...

  5. Hematocrit and oxygenation dependence of blood (1)H(2)O T(1) at 7 Tesla.

    Science.gov (United States)

    Grgac, Ksenija; van Zijl, Peter C M; Qin, Qin

    2013-10-01

    Knowledge of blood (1)H2O T1 is critical for perfusion-based quantification experiments such as arterial spin labeling and cerebral blood volume-weighted MRI using vascular space occupancy. The dependence of blood (1)H2O T1 on hematocrit fraction (Hct) and oxygen saturation fraction (Y) was determined at 7 T using in vitro bovine blood in a circulating system under physiological conditions. Blood (1)H2O R1 values for different conditions could be readily fitted using a two-compartment (erythrocyte and plasma) model, which are described by a monoexponential longitudinal relaxation rate constant dependence. It was found that T1 = 2171 ± 39 ms for Y = 1 (arterial blood) and 2010 ± 41 ms for Y = 0.6 (venous blood), for a typical Hct of 0.42. The blood (1)H2O T1 values in the normal physiological range (Hct from 0.35 to 0.45, and Y from 0.6 to 1.0) were determined to range from 1900 to 2300 ms. The influence of oxygen partial pressure (pO2) and the effect of plasma osmolality for different anticoagulants were also investigated. It is discussed why blood (1)H2O T1 values measured in vivo for human blood may be about 10-20% larger than found in vitro for bovine blood at the same field strength. PMID:23169066

  6. 1H NMR based metabolic profiling in the evaluation of Japanese green tea quality.

    Science.gov (United States)

    Tarachiwin, Lucksanaporn; Ute, Koichi; Kobayashi, Akio; Fukusaki, Eiichiro

    2007-11-14

    Classification of tea quality is now mainly performed according to the sensory results by professional tea tasters. However, this evaluation method is inconsistent in differentiating their qualities. A combination of a (1)H NMR technique and a multivariate analysis was introduced to the quality evaluation of green tea by means of a metabolomic technique. A broad range of metabolites were detected by (1)H NMR spectrometry. The principal component analysis (PCA) was used to reduce the complexity of the (1)H NMR spectra data set and provided the quality discrimination result. It offered an extensive clue for classification and quality assessment without any prepurification method. A set of green teas from a Japanese tea contest were analyzed by (1)H NMR to classify the quality with respect to that judged by tea tasters and to conceive a quality prediction model. Metabolic profiling and fingerprinting of (1)H NMR spectra of green teas with different quality were studied. PCA showed a separation between the high- and the low-quality green teas. The taste marker compounds contributing to the discrimination of tea quality were identified. Reliable prediction models were obtained by the partial least-squares projection to latent structure (PLS) analysis together with a preprocessing filter of both orthogonal signal correction (OSC) and a combination between OSC and wavelet transform algorithms. PMID:17944534

  7. Synthesis and preliminary evaluation of 3-thiocyanato-1H-indoles as potential anticancer agents.

    Science.gov (United States)

    Fortes, Margiani P; da Silva, Paulo B N; da Silva, Teresinha G; Kaufman, Teodoro S; Militão, Gardenia C G; Silveira, Claudio C

    2016-08-01

    A novel series of twenty 3-thiocyanato-1H-indoles, carrying diversification at positions N-1, C-2 and C-5 of the heterocyclic core, were synthesized; their antiproliferative activity against four human cancer cell lines (HL60, HEP-2, NCI-H292 and MCF-7) was evaluated, employing doxorubicin as positive control. Indole, N-methylindole and 2-(4-chlorophenyl)-N-methylindole demonstrated to be essentially inactive, whereas several of their congener 3-thiocyanato-1H-indoles displayed good to excellent levels of potency (IC50 ≤ 6 μM), while being non-hemolytic. N-Phenyl-3-thiocyanato-1H-indole and 1-methyl-2-(4-chlorophenyl)-3-thiocyanato-1H-indole showed good to high potency against all the cell lines. On the other side, the N-(4-chlorophenyl)-, 2-(4-chlorophenyl)- and 2-phenyl- 3-thiocyanato-1H-indole derivatives were slightly less active against the test cell lines. Overall, these results suggest that the indole-3-thiocyanate motif can be suitably decorated to afford highly cytotoxic compounds and that the substituted indole can be employed as a useful scaffold toward more potent compounds. PMID:27116711

  8. Localized 1H-MR spectroscopy in moyamoya disease before and after revascularization surgery

    International Nuclear Information System (INIS)

    To evaluate, using localized proton magnetic resonance spectroscopy (1H-MRS), the cerebral metabolic change apparent after revascularization surgery in patients with moyamoya disease. Sixteen children with moyamoya disease and eight age-matched normal controls underwent MR imaging, MR angiography, conventional angiography, and 99mTc- ECD SPECT. Frontal white matter and the basal ganglia of both hemispheres were subjected to localized 1H-MRS, and after revascularization surgery, four patients underwent follow-up 1H-MRS. Decreased NAA/Cr ratios (1.35±0.14 in patients vs. 1.55±0.24 in controls) and Cho/Cr ratios (0.96±0.13 in patients vs. 1.10±0.11 in controls) were observed in frontal white matter. After revascularization surgery, NAA/Cr and Cho/Cr ratios in this region increased. In the basal ganglia, there is no abnormal metabolic ratios. Localized 1H-MRS revealed abnormal metabolic change in both hemispheres of children with moyamoya disease. Because of its non-invasive nature, 1H-MRS is potentially useful for the preoperative evaluation of metabolic abnormalities and their postoperative monitoring

  9. Design, synthesis and anticancer activity of new 3-cyano-2 (1H -pyridone and 3-cyanopyridine-2-(1H-thione derivatives

    Directory of Open Access Journals (Sweden)

    E. A. Abdel Motaal

    2015-06-01

    Full Text Available The main objective of the present research study is to synthesize some novel chalcone, cyanoacetohydrazone, enaminone, 3-cyano-2(1H-pyridone and 3-cyanopyridine-2-(1H-thione derivatives and evaluate them for their anticancer effect. The novel chalcones 2a-c were achieved by Claisen-Schmidt condensation of appropriate benzaldehydes with ethanone derivative 1. Treatment of cyanoacetic acid hydrazide with ethanone derivative 1 yielded the correspondinghydrazone derivative 3. Condensation of ethanone derivative 1 with DMF-DMA afforded (E-3-(dimethylamino-1- (4- morpholinophenylprop-2-en-1-one 4. Heterocyclization of chalcones 2a-c with cyanothioacetamide yielded 2-thioxo-1,2-dihydropyridine-3-carbonitriles 7a-c. In a similar manner, cyclocondensation of chalcones 2a,b with cyanoacetamide afforded the corresponding 2-oxo-1,2-dihydropyridine-3-carbonitriles 8a,b. The Reaction of compound 2a with ethyl cyanoacetate furnished 2-oxo-1,2-dihydropyridine-3-carboxylate 12. The 2-oxo-4-phenyl-1,2-dihydro-pyridine-3,5-dicarbonitriles 14a,b were obtained by cyclization of cyano-acetohydrazone 3 with cinnamonitriles. The structures of the synthesized compounds were confirmed by elemental analysis, mass spectrometry, IR and 1H-NMR spectroscopy. The anticancer activity of the newly synthesized compounds was screened in vitro against Human lung carcinoma (A 549 cell line indicating that compounds 7b and 8a possess the most potent inhibitory effect against the human lung carcinoma cell line (A549.

  10. Selective excitation enables assignment of proton resonances and {sup 1}H-{sup 1}H distance measurement in ultrafast magic angle spinning solid state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu [Biophysics and Department of Chemistry, The University of Michigan, Ann Arbor, Michigan 48109-1055 (United States)

    2015-07-21

    Remarkable developments in ultrafast magic angle spinning (MAS) solid-state NMR spectroscopy enabled proton-based high-resolution multidimensional experiments on solids. To fully utilize the benefits rendered by proton-based ultrafast MAS experiments, assignment of {sup 1}H resonances becomes absolutely necessary. Herein, we propose an approach to identify different proton peaks by using dipolar-coupled heteronuclei such as {sup 13}C or {sup 15}N. In this method, after the initial preparation of proton magnetization and cross-polarization to {sup 13}C nuclei, transverse magnetization of desired {sup 13}C nuclei is selectively prepared by using DANTE (Delays Alternating with Nutations for Tailored Excitation) sequence and then, it is transferred to bonded protons with a short-contact-time cross polarization. Our experimental results demonstrate that protons bonded to specific {sup 13}C atoms can be identified and overlapping proton peaks can also be assigned. In contrast to the regular 2D HETCOR experiment, only a few 1D experiments are required for the complete assignment of peaks in the proton spectrum. Furthermore, the finite-pulse radio frequency driven recoupling sequence could be incorporated right after the selection of specific proton signals to monitor the intensity buildup for other proton signals. This enables the extraction of {sup 1}H-{sup 1}H distances between different pairs of protons. Therefore, we believe that the proposed method will greatly aid in fast assignment of peaks in proton spectra and will be useful in the development of proton-based multi-dimensional solid-state NMR experiments to study atomic-level resolution structure and dynamics of solids.

  11. Dynamics-based selective 2D {sup 1}H/{sup 1}H chemical shift correlation spectroscopy under ultrafast MAS conditions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu [Biophysics and Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055 (United States)

    2015-05-28

    Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of {sup 1}H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of {sup 1}H/{sup 1}H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials.

  12. Bis{1-[(1H-benzimidazol-1-ylmethyl-κN3]-1H-1,2,3,4-tetrazole}silver(I nitrate

    Directory of Open Access Journals (Sweden)

    Xiang-ru Meng

    2010-03-01

    Full Text Available In the title salt, [Ag(C9H8N62]NO3, the central AgI atom is linearly coordinated by the N atoms [171.97 (8°] from two 1-[(benzimidazol-1-ylmethyl]-1H-1,2,3,4-tetrazole ligands. The benzimidazole rings in adjacent molecules are parallel with an average interplanar distance of 3.461 Å; adjacent molecules are linked through N—H...O hydrogen bonds into a linear chain along the b-axis direction.

  13. Retrospective dosimetry using chromosome painting

    International Nuclear Information System (INIS)

    Chromosome aberration frequency measured in peripheral lymphocytes of persons exposed to ionizing radiation has been used since 1960s for dose assessment. Suspected overexposure is usually evaluated by the frequency of dicentrics and centric rings using an appropriate in vitro calibration curve. However, these chromosome aberrations are unstable with time after exposure and dose reconstruction may encounter uncertainties when the time between the exposure and the analysis is considerable or even unknown. It appears that translocations persist with time after exposure and may be used as an indication of acute past overexposures. Moreover, they appear to accumulate the cytogenetical information, which correlates with the dose received under fractionated, chronic or even occupational exposure conditions. Translocations may be detected using G-banding, which allows to score the total amount of radiation induced translocations but it is a time consuming method, or by Chromosome Painting, a method base on the Fluorescence in situ Hybridization (FISH) technique, painting only some chromosome pairs with specific whole chromosome probes and then extrapolating the observed translocation frequencies to the full genome. The latter method allows a faster aberration scoring than G-banding and appears to be the most promissory tool for biodosimetry, particularly when it is necessary to assess low doses and consequently to score a large number of metaphases, e.g. radiation workers exposed within dose limits. As with the unstable chromosome aberration, it is necessary an in vitro calibration curve based on the frequency of stable chromosome aberrations to assess doses. Our laboratory performed calibration curves for Co60 γ-rays based on the frequencies of unstable (dicentrics and centric rings detected by conventional Giemsa staining) and stable chromosome aberrations (translocations and inversions, detected by G-banding). In order to minimize the interlaboratory variability, we

  14. Calculation of dissociating autoionizing states using the block diagonalization method: Application to N2H

    International Nuclear Information System (INIS)

    We report the calculation of preliminary potential surfaces necessary to treat dissociative recombination (DR) of electrons with N2H+. We performed multi-reference, configuration interaction calculations with a large active space for N2H+ and N2H, using the GAMESS electronic structure code. Rydberg-valence coupling is strong in N2H, and a systematic procedure is desirable to isolate the appropriate dissociating, autoionizing states. We used the block diagonalization method, which requires only modest additional effort beyond the standard methodology. We treated both linear and bent geometries of the molecules, with N2 fixed at its equilibrium separation. The results indicate that the crossing between the dissociating neutral curve and the initial ion potential is not favorably located, suggesting that the direct mechanism for DR will be small. Dynamics calculations using the multi-configuration, time-dependent Hartree (MCTDH) method confirm this conclusion.

  15. Deuterium MR in vivo imaging of the rat eye using 2H2O

    International Nuclear Information System (INIS)

    In vivo deuterium MR imaging (2H MR) was investigated in rats after intraperitoneal administration of deuterated saline, and a dynamic study of the water movement in rat eyes was performed. Deuterium MR imaging was carried out by means of a gradient-echo (GRE) and a spin-echo (SE) pulse sequence. The rat eye was imaged in 2H MR more selectively by SE than by GRE, but a lower signal-to-noise ratio was obtained in 2H MR imaging using the SE sequence. The MR signal intensity of the rat eye was followed by a 3-compartment model, which enabled determination of the flow rate constant of the water in the eye (0.359/min). Deuterium MR imaging is useful to visualize the dynamic change of water in rat eyes using 2H MR at the same magnetic field (2 T) that can also be used for conventional MR imaging in humans. (orig.)

  16. Structural, mechanical, and electronic properties of monoclinic N2H5N3 under pressure

    International Nuclear Information System (INIS)

    Structural, elastic, mechanical, and electronic properties of monoclinic N2H5N3 at zero and high pressure have been investigated using the plane-wave ultrasoft pseudopotential method within the density-functional theory (DFT). The pressure dependences of structural parameters, elastic constants, mechanical properties, band gaps, and density of states of monoclinic N2H5N3 have been calculated and discussed. The obtained results show that monoclinic N2H5N3 is unstable at pressures exceeding the value 126.1 GPa. The ratio of B/G and the Cauchy’s pressure indicate that monoclinic N2H5N3 behaves in ductile nature with pressure ranging from 0 to 200 GPa. (author)

  17. Rings of C2H in the Molecular Disks Orbiting TW Hya and V4046 Sgr

    CERN Document Server

    Kastner, J H; Gorti, U; Hily-Blant, P; Oberg, K; Forveille, T; Andrews, S; Wilner, D

    2015-01-01

    We have used the Submillimeter Array to image, at ~1" resolution, C2H(3-2) emission from the molecule-rich circumstellar disks orbiting the nearby, classical T Tauri star systems TW Hya and V4046 Sgr. The SMA imaging reveals that the C2H emission exhibits a ring-like morphology within each disk, the inner hole radius of the C2H ring within the V4046 Sgr disk (~70 AU) is somewhat larger than than of its counterpart within the TW Hya disk (~45 AU). We suggest that, in each case, the C2H emission likely traces irradiation of the tenuous surface layers of the outer disks by high-energy photons from the central stars.

  18. The Reduction of Chromosome Number in Meiosis Is Determined by Properties Built into the Chromosomes

    OpenAIRE

    Paliulis, Leocadia V.; Nicklas, R. Bruce

    2000-01-01

    In meiosis I, two chromatids move to each spindle pole. Then, in meiosis II, the two are distributed, one to each future gamete. This requires that meiosis I chromosomes attach to the spindle differently than meiosis II chromosomes and that they regulate chromosome cohesion differently. We investigated whether the information that dictates the division type of the chromosome comes from the whole cell, the spindle, or the chromosome itself. Also, we determined when chromosomes can switch from ...

  19. Chromosome segregation in plant meiosis

    Directory of Open Access Journals (Sweden)

    Linda eZamariola

    2014-06-01

    Full Text Available Faithful chromosome segregation in meiosis is essential for ploidy stability over sexual life cycles. In plants, defective chromosome segregation caused by gene mutations or other factors leads to the formation of unbalanced or unreduced gametes creating aneuploid or polyploid progeny, respectively. Accurate segregation requires the coordinated execution of conserved processes occurring throughout the two meiotic cell divisions. Synapsis and recombination ensure the establishment of chiasmata that hold homologous chromosomes together allowing their correct segregation in the first meiotic division, which is also tightly regulated by cell-cycle dependent release of cohesin and monopolar attachment of sister kinetochores to microtubules. In meiosis II, bi-orientation of sister kinetochores and proper spindle orientation correctly segregate chromosomes in four haploid cells. Checkpoint mechanisms acting at kinetochores control the accuracy of kinetochore-microtubule attachment, thus ensuring the completion of segregation. Here we review the current knowledge on the processes taking place during chromosome segregation in plant meiosis, focusing on the characterization of the molecular factors involved.

  20. Radiation-induced chromosomal instability

    Energy Technology Data Exchange (ETDEWEB)

    Ritter, S. [GSI, Biophysics, Darmstadt (Germany)

    1999-03-01

    Recent studies on radiation-induced chromosomal instability in the progeny of exposed mammalian cells were briefly described as well as other related studies. For the analysis of chromosomal damage in clones, cells were seeded directly after exposure in cell well-dish to form single cell clones and post-irradiation chromosome aberrations were scored. Both exposure to isoeffective doses of X-ray or 270 MeV/u C-ions (13 keV/{mu}m) increased the number of clones with abnormal karyotype and the increase was similar for X-ray and for C-ions. Meanwhile, in the progeny of cells for mass cultures, there was no indication of a delayed expression of chromosomal damage up to 40 population doublings after the exposure. A high number of aberrant cells were only observed directly after exposure to 10.7 MeV/u O-ions, i.e. in the first cycle cells and decreased with subsequent cell divisions. The reason for these differences in the radiation-induced chromosomal instability between clonal isolates and mass culture has not been clarified. Recent studies indicated that genomic instability occurs at a high frequency in the progeny of cells irradiated with both sparsely and densely ionizing radiation. Such genomic instability is thought likely to increase the risk of carcinogenesis, but more data are required for a well understanding of the health risks resulting from radiation-induced delayed instability. (M.N.)

  1. Dean flow fractionation of chromosomes

    Science.gov (United States)

    Hockin, Matt; Sant, Himanshu J.; Capecchi, Mario; Gale, Bruce K.

    2016-03-01

    Efforts to transfer intact mammalian chromosomes between cells have been attempted for more than 50 years with the consistent result being transfer of sub unit length pieces regardless of method. Inertial microfluidics is a new field that has shown much promise in addressing the fractionation of particles in the 2-20 μm size range (with unknown limits) and separations are based upon particles being carried by curving confined flows (within a spiral shaped, often rectangular flow chamber) and migrating to stable "equilibrium" positions of varying distance from a chamber wall depending on the balance of dean and lift forces. We fabricated spiral channels for inertial microfluidic separations using a standard soft lithography process. The concentration of chromosomes, small contaminant DNA and large cell debris in each outlets were evaluated using microscope (60X) and a flow cytometer. Using Dean Flow Fractionation, we were able to focus 4.5 times more chromosomes in outlet 2 compared to outlet 4 where most of the large debris is found. We recover 16% of the chromosomes in outlet #1- 50% in 2, 23% in 3 and 11% in 4. It should be noted that these estimates of recovery do not capture one piece of information- it actually may be that the chromosomes at each outlet are physically different and work needs to be done to verify this potential.

  2. Chloridobis[2-(1,3-thiazol-4-yl-κN-1H-benzimidazole-κN3]cobalt(II chloride dihydrate

    Directory of Open Access Journals (Sweden)

    Zhan-Wang Shi

    2012-08-01

    Full Text Available In the title compound, [CoCl(C10H7N3S2]Cl·2H2O, the CoII atom is five-coordinated by four N atoms from two chelating 2-(1,3-thiazol-4-yl-1H-benzimidazole ligands and one Cl atom in a distorted trigonal–bipyramidal geometry. In the crystal, N—H...O and O—H...Cl hydrogen bonds and π–π interactions between the thiazole, imidazole and benzene rings [centroid-to-centroid distances 3.546 (2, 3.683 (2 and 3.714 (2 Å] link the complex cations, chloride anions and uncoordinating water molecules into a three-dimensional network.

  3. catena-Poly[[[aquachloridomanganese(II]-bis[μ-1,1′-(oxydi-p-phenylenedi-1H-imidazole-κ2N3:N3′

    Directory of Open Access Journals (Sweden)

    Xiao-Long Mu

    2011-02-01

    Full Text Available The title coordination polymer, {[MnCl(C18H14N4O2(H2O]Cl·C3H7NO·H2O}n, obtained by the solvothermal reaction of BIDPE and manganese(II salt in H2O/DMF (DMF is dimethylformamide, is composed of a chain of [Mn2(BIDPE2] [BIDPE is 1,1′-(oxydi-p-phenylenedi-1H-imidazole] metallocyclic rings that exhibit inversion symmetry. The coordination about the Mn(II ions is distorted octahedral with a MnClN4O coordination set. In the crystal, the polymeric chains are linked by O—H...Cl hydrogen bonds, forming a two-dimensional network parallel to (100. A number of C—H...Cl and C—H...O interactions are also present.

  4. Balo's concentric sclerosis: a correlative study of MRI, 1H-MR spectroscopy and biopsy

    International Nuclear Information System (INIS)

    Objective: To describe the features of Balo's concentric sclerosis on MRI and 1H-MRS. Methods: Three patients of Balo's concentric sclerosis were reported on the basis of brain MRI and stereotactic brain biopsy. Proton MR spectroscopy was carried out on 1 patient. Results: Multiple ring-like lesions of laminated demyelination alternating with spared white matter were demonstrated in all 3 patients, and the lesions were best seen in post-contrast images. 1H-MRS showed a decreased NAA peak, an increased choline peak, and the presence of large lipid peak. Conclusion: Balo's concentric sclerosis has characteristic findings on MRI and 1H-MRS. MRI is very useful in the diagnosis of Balo's concentric sclerosis

  5. Chromosomal rearrangement interferes with meiotic X chromosome inactivation

    Czech Academy of Sciences Publication Activity Database

    Homolka, David; Ivánek, Robert; Čapková, Jana; Jansa, Petr; Forejt, Jiří

    2007-01-01

    Roč. 17, č. 10 (2007), s. 1431-1437. ISSN 1088-9051 R&D Projects: GA MŠk(CZ) 1M0520; GA ČR GA301/06/1334; GA ČR GA301/07/1383 Grant ostatní: Howard Hughes Medical Institute(US) HHMI 55000306 Institutional research plan: CEZ:AV0Z50520514 Keywords : chromosomal translocations * meiotic X chromosome inactivation * spermatogenesis Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 11.224, year: 2007

  6. Adsorption geometry of PTCDA on 2H-NbSe2

    International Nuclear Information System (INIS)

    Low-temperature scanning tunnelling microscopy of submonolayers of PTCDA adsorbed on 2H-NbSe2 reveals an adsorbate layer that is neither commensurate with the substrate lattice nor with the charge density wave periodicity. The observed smallness of deviations from the PTCDA bulk-state unit-cell dimensions indicates that PTCDA film formation is dominated by intermolecular interactions rather than by interaction between PTCDA and 2H-NbSe2. (orig.)

  7. Direct Experimental Verification of Neutron Acceleration by the Material Optical Potential of Solid 2H2

    International Nuclear Information System (INIS)

    We have measured the acceleration of neutrons by the material optical potential of solid 2H2. Using a gravitational spectrometer, we find a minimal kinetic energy Ec=(99±7) neV of neutrons from a superthermal ultracold neutron (UCN) source with solid 2H2 as an UCN converter. The result is in excellent agreement with theoretical predictions, Ec=106 neV

  8. A Forward Chemical Screen Using Zebrafish Embryos with Novel 2-Substituted 2H-Chromene Derivatives

    OpenAIRE

    Torregroza, Ingrid; Evans, Todd; Das, Bhaskar C.

    2009-01-01

    We synthesized 2-substituted 2H-chromene derivatives from salicylaldehyde using potassium vinylic borates in the presence of secondary amines. Our goal was to generate novel compounds that might modulate transforming growth factor-β signaling, based on limited rational design. Potassium vinyl trifluoroborates react with salicylaldehydes at 80 °C in the presence of a secondary amine and produce 2-substituted 2H-chromene derivatives with a 70–90% yield. A small library of these compounds, predi...

  9. Lewis acid Mediated Aza-Diels-Alder Reactions and Asymmetric Alkylations of 2H-azirines

    OpenAIRE

    Risberg, Erik

    2004-01-01

    This thesis describes the use of 2H-azirines, three-membered unsaturatednitrogen-containing heterocycles, as reactive intermediates ina number of Lewis acid promoted alkylations and Diels-Alderreactions providing synthetically useful aziridines. In order to carry out this investigation a new generalprocedure for the ring closure of vinyl azides, forming theresultant 3-substituted-2H-azirines, was developed applying low boiling solventsin closed reaction vessels at elevated temperatures. The a...

  10. Relativistic Force Field: Parametrization of (13)C-(1)H Nuclear Spin-Spin Coupling Constants.

    Science.gov (United States)

    Kutateladze, Andrei G; Mukhina, Olga A

    2015-11-01

    Previously, we reported a reliable DU8 method for natural bond orbital (NBO)-aided parametric scaling of Fermi contacts to achieve fast and accurate prediction of proton-proton spin-spin coupling constants (SSCC) in (1)H NMR. As sophisticated NMR experiments for precise measurements of carbon-proton SSCCs are becoming more user-friendly and broadly utilized by the organic chemistry community to guide and inform the process of structure determination of complex organic compounds, we have now developed a fast and accurate method for computing (13)C-(1)H SSCCs. Fermi contacts computed with the DU8 basis set are scaled using selected NBO parameters in conjunction with empirical scaling coefficients. The method is optimized for inexpensive B3LYP/6-31G(d) geometries. The parametric scaling is based on a carefully selected training set of 274 ((3)J), 193 ((2)J), and 143 ((1)J) experimental (13)C-(1)H spin-spin coupling constants reported in the literature. The DU8 basis set, optimized for computing Fermi contacts, which by design had evolved from optimization of a collection of inexpensive 3-21G*, 4-21G, and 6-31G(d) bases, offers very short computational (wall) times even for relatively large organic molecules containing 15-20 carbon atoms. The most informative SSCCs for structure determination, i.e., (3)J, were computed with an accuracy of 0.41 Hz (rmsd). The new unified approach for computing (1)H-(1)H and (13)C-(1)H SSCCs is termed "DU8c". PMID:26414291

  11. Broad N2H+ emission towards the protostellar shock L1157-B1

    CERN Document Server

    Codella, C; Ceccarelli, C; Lefloch, B; Benedettini, M; Busquet, G; Caselli, P; Fontani, F; Gómez-Ruiz, A; Podio, L; Vasta, M

    2013-01-01

    We present the first detection of N2H+ towards a low-mass protostellar outflow, namely the L1157-B1 shock, at about 0.1 pc from the protostellar cocoon. The detection was obtained with the IRAM 30-m antenna. We observed emission at 93 GHz due to the J = 1-0 hyperfine lines. The analysis of the emission coupled with the HIFI CHESS multiline CO observations leads to the conclusion that the observed N2H+(1-0) line originates from the dense (> 10^5 cm-3) gas associated with the large (20-25 arcsec) cavities opened by the protostellar wind. We find a N2H+ column density of few 10^12 cm-2 corresponding to an abundance of (2-8) 10^-9. The N2H+ abundance can be matched by a model of quiescent gas evolved for more than 10^4 yr, i.e. for more than the shock kinematical age (about 2000 yr). Modelling of C-shocks confirms that the abundance of N2H+ is not increased by the passage of the shock. In summary, N2H+ is a fossil record of the pre-shock gas, formed when the density of the gas was around 10^4 cm-3, and then furth...

  12. Resolved Depletion Zones and Spatial Differentiation of N2H+ and N2D+

    CERN Document Server

    Tobin, John J; Hartmann, Lee; Lee, Jeong-Eun; Maret, Sebastien; Myers, Phillip C; Looney, Leslie W; Chiang, Hsin-Fang; Friesen, Rachel

    2013-01-01

    We present a study on the spatial distribution of N2D+ and N2H+ in thirteen protostellar systems. Eight of thirteen objects observed with the IRAM 30m telescope show relative offsets between the peak N2D+ (J=2-1) and N2H+ (J=1-0) emission. We highlight the case of L1157 using interferometric observations from the Submillimeter Array and Plateau de Bure Interferometer of the N2D+ (J=3-2) and N2H+ (J=1-0) transitions respectively. Depletion of N2D+ in L1157 is clearly observed inside a radius of ~2000 AU (7") and the N2H+ emission is resolved into two peaks at radii of ~1000 AU (3.5"), inside the depletion region of N2D+. Chemical models predict a depletion zone in N2H+ and N2D+ due to destruction of H2D+ at T ~ 20 K and the evaporation of CO off dust grains at the same temperature. However, the abundance offsets of 1000 AU between the two species are not reproduced by chemical models, including a model that follows the infall of the protostellar envelope. The average abundance ratios of N2D+ to N2H+ have been ...

  13. Worldwide Hourly Values of Ionospheric Characteristics: foF2, M(3000)F2, hF2,FoF1, M(3000)F1, hF, FoE, hE, foE2, hE2, foEs, fbEs, fmI, and FxI

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The ionosphere is that part of the Earth's atmosphere that results mainly from the ionizing effect of Solar electromagnetic radiation. For poleware latitudes, the...

  14. The (1) H NMR spectrum of pyrazole in a nematic phase.

    Science.gov (United States)

    Provasi, Patricio; Jimeno, María Luisa; Alkorta, Ibon; Reviriego, Felipe; Elguero, José; Jokisaari, Jukka

    2016-08-01

    The experimental (1) H nuclear magnetic resonance (NMR) spectrum of 1H-pyrazole was recorded in thermotropic nematic liquid crystal N-(p-ethoxybenzylidene)-p-butylaniline (EBBA) within the temperature range of 299-308 K. Two of three observable dipolar DHH -couplings appeared to be equal at each temperature because of fast prototropic tautomerism. Analysis of the Saupe orientational order parameters using fixed geometry determined by computations and experimental dipolar couplings results in a situation in which the molecular orientation relative to the magnetic field (and the liquid crystal director) can be described exceptionally by a single parameter. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26947581

  15. A novel approach for the synthesis of 5-substituted-1H-tetrazoles

    Energy Technology Data Exchange (ETDEWEB)

    Akhlaghinia, Batool; Rezazadeh, Soodabeh, E-mail: akhlaghinia@um.ac.ir [Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of)

    2012-12-15

    A series of 5-substituted-1H-tetrazoles (RCN{sub 4}H) have been synthesized by cycloaddition reaction of different aryl and alkyl nitriles with sodium azide in DMSO using CuSO{sub 4}{center_dot}5H{sub 2}O as catalyst. A wide variety of aryl nitriles underwent [3+2] cycloaddition to afford tetrazoles under mild reaction conditions in good to excellent yields. The catalyst used is readily available and environmentally friendly. Short reaction times, good to excellent yields, safe process and simple workup make this method an attractive and useful contribution to present organic synthesis of 5-substituted-1H-tetrazoles. (author)

  16. Noninvasive assessment of spontaneous cardiomyopathy of syrian hamster by 1H- and 31P-TMR

    International Nuclear Information System (INIS)

    Sequential changes in 1H-NMR (180 MHz) and 31P-NMR (32 MHz) were examined by simultaneously measuring them from the juvenile stage (72 days after birth) to the time of occurrence of cardiomyopathy (155 days after birth) with Syrian hamsters having cardiomyopathy and their sex- and age-matched littermates. The ratio of water to lipids and the ratio of phosphocreatine to ATP were obtained by 1H-NMR and 31P-NMR, respectively. These ratios were two-dimensionally plotted, thereby making it possible to differentiate cardiomyopathy from normal heart. NMR results were in good agreement with biochemical results. (Namekawa, K.)

  17. [Brain metabolism alterations in patients with anorexia nervosa observed in 1H-MRS

    OpenAIRE

    Grzelak, P.; Gajewicz, W.; Wyszogrodzka-Kucharska, A.; Rotkiewicz, A.; Stefanczyk, L.; Goraj, B.M.; Rabe-Jablonska, J.

    2005-01-01

    The causes of metabolic brain changes in patients with anorexia nervosa are still not fully explained. The purpose of this study was to use the 1H-MRS method in investigating metabolic changes in the brain of patients with anorexia nervosa. We studied 10 patients for visible alternations in brain metabolism and compared the results to healthy controls. 1H-MRS was acquired by the method of single voxels in white and grey matter. Proton MRS was performed after image guided localization using st...

  18. H2-H2O-HI Hydrogen Separation in H2-H2O-HI Gaseous Mixture Using the Silica Membrane

    International Nuclear Information System (INIS)

    It was evaluated aiming at the application for hydrogen iodide decomposition in the thermochemical lS process. Porous alumina tube having pore size of 0.1 μm was modified by chemical vapor deposition using tetraethoxysilane. The permeance single gas of He, H2, and N2 was measured at 300-600 oC. Hydrogen permeance of the modified membrane at a permeation temperature of 600 oC was about 5.22 x 10-08 mol/Pa m2 s, and 3.2 x 10-09 of using gas mixture of H2-H2O-HI, where as HI permeances was below 1 x 10-10 mol/Pa m2 s. The Hydrogen permeance relative was not changed after 25 hours exposure in a mixture of H2-H2O-HI gas at the temperature of 450 oC. (author)

  19. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Pingping [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Li, Jie [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi' an 710069 (China); Bu, Huaiyu, E-mail: 7213792@qq.com [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi' an 710069 (China); Wei, Qing [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Zhang, Ruolin [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi' an 710069 (China); Chen, Sanping, E-mail: sanpingchen@126.com [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China)

    2014-07-01

    Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu{sub 0.5}L]{sub n} (1), [Cu(HL){sub 2}Cl{sub 2}]{sub n} (2), [Cu(HL){sub 2}Cl{sub 2}(H{sub 2}O)] (3), [Cu(L){sub 2}(H{sub 2}O)]{sub n} (4) and [Cu(L)(phen)(HCO{sub 2})]{sub n} (5), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl{sup -}, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units –Cu–O–Cu–O– are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound 1 exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated. - Graphical abstract: Copper(II) compounds with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid, were prepared, structurally characterized and investigated for antifungal activity. - Highlights: • The title compounds formed by thermodynamics and thermokinetics. • The five compounds show higher inhibition percentage than reactants. • The structure effect on the antifungal activity.

  20. A study of the inclusive inelastic scattering of 100 MeV pions from 2H, 3He and 4He

    International Nuclear Information System (INIS)

    Measurements were carried out of the double-differential cross sections of 100 MeV positive and negative pions inelastically scattered from 2H, 3He and 4He. Inclusive spectra and angular distributions of the scattered pions from the (π,π') reaction were obtained at several angles for the three targets using a magnetic spectrometer. The targets considered in the experiment were all gases. The yields of the scattered pions from 2H, 3He and 4He were normalized to measured 1H scattering data and to the known π+N cross sections in the literature. The angular distributions of 100 MeV pions scattered from 2H, 3He and 4He at the back angles (θ/sub lab/ ≥ 750) were found to have very nearly the same shape as the free π+-p distribution at this energy. The ratios of the energy- and angle-integrated π+ inelastic scattering cross sections at the back angles compared to the free π+-p cross sections were found to be 0.69 +- 0.03 for 2H, 1.42 +- 0.06 for 3He, and 0.88 +- 0.03 for 4He. The inelastic scattering reaction of pions from 2H, 3He and 4He were interpreted from the point of view that the initial interaction is that of a pion with a single nucleon. Classical and quantum mechanical calculations were carried out to better understand the πN interaction inside nuclei. It was found that pion interactions with 2H, 3He and 4He at energies below the (3,3) resonance can be viewed effectively in terms of pion interaction with individual nucleons in these nuclei. It was also found that pion absorption cross section in 4He is unusually large compared to that in other nuclei. Some possible reasons are suggested for this behavior of pions interacting with 4He. 80 refs., 42 figs., 29 tabs

  1. (1H-1,3-Benzimidazole-5,6-dicarboxylic acid(5-carboxylato-1H-1,3-benzimidazole-6-carboxylic acidsilver(I monohydrate

    Directory of Open Access Journals (Sweden)

    Hong Zhai

    2009-11-01

    Full Text Available The title compound, [Ag(C9H5N2O4(C9H6N2O4]·H2O, contains one independent Ag atom, a neutral 1H-benzimidazole-5,6-dicarboxylic acid (bdcH, its monodeprotonated form, i.e. 5-carboxylato-1H-1,3-benzimidazole-6-carboxylic acid (bdc, and one solvent water molecule, the latter being disordered over three sites with site occupancy factors of 0.375 (× 2 and 0.25. In addition, the H atom on one carboxylic acid residue is disordered, being connected to each of the O atoms 50% of the time. The Ag atom is in a virtually linear geometry defined by two N atoms derived from the bdc and bdcH ligands. The three-dimensional supramolecular structure is stablized by extensive O—H...O and N—H...O hydrogen bonds. An intramolecular O—H...O hydrogen bond is also present.

  2. 2-Methyl-6-(6-methyl-1H-benzimidazol-2-ylphenol–2-methyl-6-(5-methyl-1H-benzimidazol-2-ylphenol (3/1

    Directory of Open Access Journals (Sweden)

    Suchada Chantrapromma

    2009-12-01

    Full Text Available The title compound, 0.75C15H14N2O·0.25C15H14N2O, is a co-crystal of 2-methyl-6-(6-methyl-1H-benzimidazol-2-ylphenol as the major component and 2-methyl-6-(5-methyl-1H-benzimidazol-2-ylphenol as the minor component. The refined site-occupancy ratio is 0.746 (4/0.254 (4. The conformations of both components are identical except for that of the methyl substituent on the benzene ring of the benzimidazole unit which is positionally disordered over two positions. The molecule is essentially planar, the dihedral angle between the benzimidazole plane and the benzene ring being 3.49 (4°. An intramolecular O—H...N hydrogen bond generates an S(6 ring motif. In the crystal packing, molecules are linked through N—H...O hydrogen bonds into chains along [201]. These chains are stacked approximately along the a-axis direction. The crystal packing is further stabilized by weak N—H...O and O...H...N hydrogen bonds, together with weak intermolecular C—H...π interactions. A π–π interaction with a centroid–centroid distance of 3.6241 (6 Å is also observed between the substituted phenyl ring and that of the benzimidazole system.

  3. Escape Artists of the X Chromosome.

    Science.gov (United States)

    Balaton, Bradley P; Brown, Carolyn J

    2016-06-01

    Inactivation of one X chromosome in mammalian females achieves dosage compensation between XX females and XY males; however, over 15% of human X-linked genes continue to be expressed from the inactive X chromosome. New genomic methodologies have improved our identification and characterization of these escape genes, revealing the importance of DNA sequence, chromatin structure, and chromosome ultrastructure in regulating expression from an otherwise inactive chromosome. Study of these exceptions to the rule of silencing highlights the interconnectedness of chromatin and chromosome structure in X-chromosome inactivation (XCI). Recent advances also demonstrate the importance of these genes in sexually dimorphic disease risk, particularly cancer. PMID:27103486

  4. Adults with Chromosome 18 Abnormalities.

    Science.gov (United States)

    Soileau, Bridgette; Hasi, Minire; Sebold, Courtney; Hill, Annice; O'Donnell, Louise; Hale, Daniel E; Cody, Jannine D

    2015-08-01

    The identification of an underlying chromosome abnormality frequently marks the endpoint of a diagnostic odyssey. However, families are frequently left with more questions than answers as they consider their child's future. In the case of rare chromosome conditions, a lack of longitudinal data often makes it difficult to provide anticipatory guidance to these families. The objective of this study is to describe the lifespan, educational attainment, living situation, and behavioral phenotype of adults with chromosome 18 abnormalities. The Chromosome 18 Clinical Research Center has enrolled 483 individuals with one of the following conditions: 18q-, 18p-, Tetrasomy 18p, and Ring 18. As a part of the ongoing longitudinal study, we collect data on living arrangements, educational level attained, and employment status as well as data on executive functioning and behavioral skills on an annual basis. Within our cohort, 28 of the 483 participants have died, the majority of whom have deletions encompassing the TCF4 gene or who have unbalanced rearrangement involving other chromosomes. Data regarding the cause of and age at death are presented. We also report on the living situation, educational attainment, and behavioral phenotype of the 151 participants over the age of 18. In general, educational level is higher for people with all these conditions than implied by the early literature, including some that received post-high school education. In addition, some individuals are able to live independently, though at this point they represent a minority of patients. Data on executive function and behavioral phenotype are also presented. Taken together, these data provide insight into the long-term outcome for individuals with a chromosome 18 condition. This information is critical in counseling families on the range of potential outcomes for their child. PMID:25403900

  5. Making chromosome abnormalities treatable conditions.

    Science.gov (United States)

    Cody, Jannine DeMars; Hale, Daniel Esten

    2015-09-01

    Individuals affected by the classic chromosome deletion syndromes which were first identified at the beginning of the genetic age, are now positioned to benefit from genomic advances. This issue highlights five of these conditions (4p-, 5p-, 11q-, 18p-, and 18q-). It focuses on the increased in understanding of the molecular underpinnings and envisions how these can be transformed into effective treatments. While it is scientifically exciting to see the phenotypic manifestations of hemizygosity being increasingly understood at the molecular and cellular level, it is even more amazing to consider that we are now on the road to making chromosome abnormalities treatable conditions. PMID:26351122

  6. 40 CFR 721.9078 - 6-Methoxy-1H-benz[de]isoquinoline-2 [3H]-dione derivative (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 6-Methoxy-1H-benz isoquinoline-2... New Uses for Specific Chemical Substances § 721.9078 6-Methoxy-1H-benz isoquinoline-2 -dione... substance identified generically as 6-methoxy-1H-benz isoquinoline-2 -dione derivative (PMN P-00-1205)...

  7. 血塞通致RBL-2H3细胞与原代肥大细胞脱颗粒特性的比较%Comparison of RBL-2H3 Cell and Primary Mast Cell Degranulation Induced by Xuesaitong Injection

    Institute of Scientific and Technical Information of China (English)

    邓向亮; 周联; 王丽虹; 王青; 王培训

    2012-01-01

    [目的]通过比较血塞通注射液等在类过敏试验中致RBL-2H3细胞与大鼠腹腔原代肥大细胞脱颗粒特性的异同,以评价2种细胞在中药注射液类过敏试验中的意义.[方法]选用已经明确能引起类过敏反应的3种供试品即血塞通注射液、Compound 48/80和吐温80,分别与RBL-2H3细胞和大鼠腹腔肥大细胞共同孵育1h,通过β-氨基已糖苷酶释放率和组胺释放率、释放量等的检测,分析比较脱颗粒特性的异同,同时观察了不同浓度血塞通注射液对脱颗粒程度的影响.[结果]2种细胞在血塞通注射液、Compound 48/80和吐温80的直接刺激下均出现脱颗粒现象,脱颗粒程度与血塞通注射液呈剂量依赖性;原代肥大细胞β-氨基己糖苷酶释放率、组胺释放量和释放率均显著高于RBL-2H3细胞,2种细胞比较差异有统计学意义(P<0.01).[结论]在类过敏反应脱颗粒试验中,RBL-2H3细胞和原代大鼠腹腔肥大细胞脱颗粒具有相同趋势,均可用于中药注射液类过敏评价,RBL-2H3细胞应用方便,而肥大细胞更加敏感.%Objective To investigate the similarities and differences of degranulation in anaphylactoid reactions induced by Xuesaitong Injection (XI) between RBL-2H3 cells and rat peritoneal primary mast cells, and to evaluate the significance of RBL-2H3 cells and rat peritoneal primary mast cells in anaphylactoid test. Methods RBL-2H3 as well as rat peritoneal mast cells were incubated with XI, Compound 48/80 and Tween-80 for one hour. And then we measured 8-hexosaminidase release rate, histamine release rate and their release content for the analysis of the differences of degranulation between RBL-2H3 cells and rat peritoneal primary mast cells. We also investigated the effect of different concentrations of XI on degranulation. Results The two kinds of cells showed degranulation after direct stimulation of XI, Compound 48 / 80 and Tween 80. And the degree of degranulation in the two

  8. Using Chromosomes to Teach Evolution: Chromosomal Rearrangements in Speciation Events.

    Science.gov (United States)

    Offner, Susan

    1994-01-01

    Uses diagrams to aid in discussing how the English map of the human chromosomes, published by Offner in 1993, can be used to illustrate some important questions in evolution, as well as give students a glimpse into some of the mechanisms underlying evolutionary change. (ZWH)

  9. Characterization of chromosome structures of Falconinae (Falconidae, Falconiformes, Aves) by chromosome painting and delineation of chromosome rearrangements during their differentiation

    OpenAIRE

    Nishida, Chizuko; Ishijima, Junko; KOSAKA, Ayumi; Tanabe, Hideyuki; Habermann, Felix A.; Griffin, Darren K.; MATSHUDA, Yoichi; 秀之, 田辺

    2008-01-01

    Karyotypes of most bird species are characterized by around 2n = 80 chromosomes, comprising 7–10 pairs of large- and medium-sized macrochromosomes including sex chromosomes and numerous morphologically indistinguishable microchromosomes. The Falconinae of the Falconiformes has a different karyotype from the typical avian karyotype in low chromosome numbers, little size difference between macrochromosomes and a smaller number of microchromosomes. To characterize chromosome structures of Falcon...

  10. Characterization of chromosome structures of Falconinae (Falconidae, Falconiformes, Aves) by chromosome painting and delineation of chromosome rearrangements during their differentiation

    OpenAIRE

    Nishida, Chizuko; Ishijima, Junko; KOSAKA, Ayumi; Tanabe, Hideyuki; Habermann, Felix A.; Griffin, Darren K.; Matsuda, Yoichi

    2008-01-01

    Karyotypes of most bird species are characterized by around 2n = 80 chromosomes, comprising 7Y10 pairs of large- and medium-sized macrochromosomes including sex chromosomes and numerous morphologically indistinguishable microchromosomes. The Falconinae of the Falconiformes has a different karyotype from the typical avian karyotype in low chromosome numbers, little size difference between macrochromosomes and a smaller number of microchromosomes. To characterize chromosome structures of Falcon...

  11. 32 CFR 1630.15 - Class 1-H: Registrant not subject to processing for induction.

    Science.gov (United States)

    2010-07-01

    ... for induction. 1630.15 Section 1630.15 National Defense Other Regulations Relating to National Defense... induction. In Class 1-H shall be placed any registrant who is not eligible for Class 1-A and is not currently subject to processing for induction....

  12. Wine analysis to check quality and authenticity by fully-automated 1H-NMR

    Directory of Open Access Journals (Sweden)

    Spraul Manfred

    2015-01-01

    Full Text Available Fully-automated high resolution 1H-NMR spectroscopy offers unique screening capabilities for food quality and safety by combining non-targeted and targeted screening in one analysis (15–20 min from acquisition to report. The advantage of high resolution 1H-NMR is its absolute reproducibility and transferability from laboratory to laboratory, which is not equaled by any other method currently used in food analysis. NMR reproducibility allows statistical investigations e.g. for detection of variety, geographical origin and adulterations, where smallest changes of many ingredients at the same time must be recorded. Reproducibility and transferability of the solutions shown are user-, instrument- and laboratory-independent. Sample prepara- tion, measurement and processing are based on strict standard operation procedures which are substantial for this fully automated solution. The non-targeted approach to the data allows detecting even unknown deviations, if they are visible in the 1H-NMR spectra of e.g. fruit juice, wine or honey. The same data acquired in high-throughput mode are also subjected to quantification of multiple compounds. This 1H-NMR methodology will shortly be introduced, then results on wine will be presented and the advantages of the solutions shown. The method has been proven on juice, honey and wine, where so far unknown frauds could be detected, while at the same time generating targeted parameters are obtained.

  13. Structural analysis of the carbohydrate chains of glycoproteins by 500-MHz 1H-NMR spectroscopy

    International Nuclear Information System (INIS)

    This thesis deals with the structural analysis by 500-MHz 1H-NMR spectroscopy of carbohydrate chains obtained from glycoproteins. In the chapters 1 to 6 the structural analysis of N-glycosidically linked carbohydrate chains is described. The chapters 7 to 10 describe the structural analysis of O-glycosidically linked carbohydrate chains. 381 refs.; 44 figs.; 24 tabs.; 7 schemes

  14. Synthesis, antimicrobial and cytotoxic activity of novel azetidine-2-one derivatives of 1H-benzimidazole

    Directory of Open Access Journals (Sweden)

    Malleshappa Noolvi

    2014-04-01

    Full Text Available A series of 1-methyl-N-[(substituted-phenylmethylidene-1H-benzimidazol-2-amines (4a–4g were prepared via the formation of 1-methyl-1H-benzimidazol-2-amine (3, which was prepared by the cycloaddition of o-phenylenediamine (1 with cyanogen bromide in the presence of aqueous base followed by N-methylation with methyl iodide in the presence of anhydrous potassium carbonate in dry acetonitrile. Moreover, the four-membered β-lactam ring was introduced by the cycloaddition of 4a–4g and chloroacetyl chloride in the presence of triethylamine catalyst to give 3-chloro-1-(1-methyl-1H-benzimidazol-2-yl-(4′-substituted-phenylazetidin-2-one 5a–5g. A total of 14 compounds were synthesized and characterized by IR, 1H NMR, 13C NMR and Mass spectral technique, in addition they were evaluated for anti-bacterial and cytotoxic properties. Among the chemicals tested 4a, 4b, 5a, 5b, 5g exhibited good antibacterial activity and 5f, 5g shown good cytotoxic activity in vitro.

  15. 4-Amino-1H-1,2,4-triazol-1-ium nitrate

    Czech Academy of Sciences Publication Activity Database

    Matulková, Irena; Císařová, I.; Němec, A.

    2011-01-01

    Roč. 67, DEC 2011 (2011), O18-U1473. ISSN 1600-5368 Institutional research plan: CEZ:AV0Z40400503 Keywords : ligands * 4-Amino-1H-1,2,4-triazol-1-ium nitrate * complexes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.347, year: 2011

  16. Mutation screen reveals novel variants and expands the phenotypes associated with DYNC1H1.

    Science.gov (United States)

    Strickland, Alleene V; Schabhüttl, Maria; Offenbacher, Hans; Synofzik, Matthis; Hauser, Natalie S; Brunner-Krainz, Michaela; Gruber-Sedlmayr, Ursula; Moore, Steven A; Windhager, Reinhard; Bender, Benjamin; Harms, Matthew; Klebe, Stephan; Young, Peter; Kennerson, Marina; Garcia, Avencia Sanchez Mejias; Gonzalez, Michael A; Züchner, Stephan; Schule, Rebecca; Shy, Michael E; Auer-Grumbach, Michaela

    2015-09-01

    Dynein, cytoplasmic 1, heavy chain 1 (DYNC1H1) encodes a necessary subunit of the cytoplasmic dynein complex, which traffics cargo along microtubules. Dominant DYNC1H1 mutations are implicated in neural diseases, including spinal muscular atrophy with lower extremity dominance (SMA-LED), intellectual disability with neuronal migration defects, malformations of cortical development, and Charcot-Marie-Tooth disease, type 2O. We hypothesized that additional variants could be found in these and novel motoneuron and related diseases. Therefore, we analyzed our database of 1024 whole exome sequencing samples of motoneuron and related diseases for novel single nucleotide variations. We filtered these results for significant variants, which were further screened using segregation analysis in available family members. Analysis revealed six novel, rare, and highly conserved variants. Three of these are likely pathogenic and encompass a broad phenotypic spectrum with distinct disease clusters. Our findings suggest that DYNC1H1 variants can cause not only lower, but also upper motor neuron disease. It thus adds DYNC1H1 to the growing list of spastic paraplegia related genes in microtubule-dependent motor protein pathways. PMID:26100331

  17. Aminosilanes derived from 1H-benzimidazole-2(3H)-thione

    Energy Technology Data Exchange (ETDEWEB)

    Palomo-Molina, Juliana [Facultad de Ciencias Químicas, Universidad de Colima, Carretera Coquimatlán-Colima, Coquimatlán Colima 28400 (Mexico); García-Báez, Efrén V. [Unidad Profesional Interdisciplinaria de Biotecnología, Instituto Politécnico Nacional, Avenida Acueducto s/n, Barrio La Laguna Ticomán, México DF 07340 (Mexico); Contreras, Rosalinda [Departamento de Química, Centro de Investigación y de Estudios Avanzados del IPN, Apartado Postal 14-740, México DF 07000 (Mexico); Barrio La Laguna Ticomán, México DF 07340 (Mexico); Pineda-Urbina, Kayim; Ramos-Organillo, Angel, E-mail: aaramos@ucol.mx [Facultad de Ciencias Químicas, Universidad de Colima, Carretera Coquimatlán-Colima, Coquimatlán Colima 28400 (Mexico)

    2015-08-12

    In two trimethylsilyl-substituted 1H-benzimidazole-2(3H)-thiones, noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe{sub 3} groups form helicoidal arrangements in one, and dimerization results in the formation of R{sub s} {sup 2}(8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings, in the second compound. Two new molecular structures, namely 1,3-bis(trimethylsilyl)-1H-benzimidazole-2(3H)-thione, C{sub 13}H{sub 22}N{sub 2}SSi{sub 2}, (2), and 1-trimethylsilyl-1H-benzimidazole-2(3H)-thione, C{sub 10}H{sub 14}N{sub 2}SSi, (3), are reported. Both systems were derived from 1H-benzimidazole-2(3H)-thione. Noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe{sub 3} groups form helicoidal arrangements in (2). Dimerization of (3) results in the formation of R{sub 2}{sup 2}(8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings.

  18. 1H NMR determination of urinary betaine in patients with premature vascular disease and mild homocysteinemia.

    Science.gov (United States)

    Lundberg, P; Dudman, N P; Kuchel, P W; Wilcken, D E

    1995-02-01

    Urinary N,N,N-trimethylglycine (betaine) and N,N-dimethylglycine (DMG) have been identified and quantified for clinical purposes by proton nuclear magnetic resonance (1H NMR) measurement in previous studies. We have assessed these procedures by using both one-dimensional (1-D) and 2-D NMR spectroscopy, together with pH titration of urinary extracts to help assign 1H NMR spectral peaks. The betaine calibration curve linearity was excellent (r = 0.997, P = 0.0001) over the concentration range 0.2-1.2 mmol/L, and CVs for replicate betaine analyses ranged from 7% (n = 10) at the lowest concentration to 1% (n = 9) at the highest. The detection limit for betaine was < 15 mumol/L. Urinary DMG concentrations were substantially lower than those of betaine. Urinary betaine and DMG concentrations measured by 1H NMR spectroscopy from 13 patients with premature vascular disease and 17 normal controls provided clinically pertinent data. We conclude that 1H NMR provides unique advantages as a research tool for determination of urinary betaine and DMG concentrations. PMID:7533065

  19. Scalable synthesis of quaterrylene: solution-phase 1H NMR spectroscopy of its oxidative dication.

    Science.gov (United States)

    Thamatam, Rajesh; Skraba, Sarah L; Johnson, Richard P

    2013-10-14

    Quaterrylene is prepared in a single reaction and high yield by Scholl-type coupling of perylene, utilizing trifluoromethanesulfonic acid as catalyst and DDQ or molecular oxygen as oxidant. Dissolution in 1 M triflic acid/dichloroethane with sonication yields the aromatic quaterrylene oxidative dication, which is characterized by its (1)H NMR spectrum. PMID:23999880

  20. Evaluation of 1H NMR relaxometry for the assessment of pore size distribution in soil samples

    NARCIS (Netherlands)

    Jaeger, F.; Bowe, S.; As, van H.; Schaumann, G.E.

    2009-01-01

    1H NMR relaxometry is used in earth science as a non-destructive and time-saving method to determine pore size distributions (PSD) in porous media with pore sizes ranging from nm to mm. This is a broader range than generally reported for results from X-ray computed tomography (X-ray CT) scanning, wh

  1. Aminosilanes derived from 1H-benzimidazole-2(3H)-thione

    International Nuclear Information System (INIS)

    In two trimethylsilyl-substituted 1H-benzimidazole-2(3H)-thiones, noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe3 groups form helicoidal arrangements in one, and dimerization results in the formation of Rs 2(8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings, in the second compound. Two new molecular structures, namely 1,3-bis(trimethylsilyl)-1H-benzimidazole-2(3H)-thione, C13H22N2SSi2, (2), and 1-trimethylsilyl-1H-benzimidazole-2(3H)-thione, C10H14N2SSi, (3), are reported. Both systems were derived from 1H-benzimidazole-2(3H)-thione. Noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe3 groups form helicoidal arrangements in (2). Dimerization of (3) results in the formation of R22(8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings

  2. Suppression of baseline artifacts in 1H NMR spectroscopy of diluted water solutions

    International Nuclear Information System (INIS)

    Suppression of baseline artifacts in 1H NMR spectroscopy of diluted aqueous solutions has been discussed. The time-domain technique capable of eliminating or lowering the baseline distortions in the spectra caused by the ringing of low pas filters has been proposed. Simultaneously, the problem of proper adjusting of the start of data acquisition have been discussed

  3. Synthesis of 1H-Indazoles from Imidates and Nitrosobenzenes via Synergistic Rhodium/Copper Catalysis.

    Science.gov (United States)

    Wang, Qiang; Li, Xingwei

    2016-05-01

    Nitrosobenzenes have been used as a convenient aminating reagent for the efficient synthesis of 1H-indazoles via rhodium and copper catalyzed C-H activation and C-N/N-N coupling. The reaction occurred under redox-neutral conditions with high efficiency and functional group tolerance. Moreover, a rhodacyclic imidate complex has been identified as a key intermediate. PMID:27082502

  4. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    Science.gov (United States)

    Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping

    2014-07-01

    Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu0.5L]n (1), [Cu(HL)2Cl2]n (2), [Cu(HL)2Cl2(H2O)] (3), [Cu(L)2(H2O)]n (4) and [Cu(L)(phen)(HCO2)]n (5), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl-, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units -Cu-O-Cu-O- are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound 1 exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated.

  5. A new class of analogues of the bifunctional radiosensitizer alpha-(1-aziridinylmethyl)-2-nitro-1H-imidazole-1-ethanol (RSU 1069): The cycloalkylaziridines

    International Nuclear Information System (INIS)

    A series of compounds related to alpha-(1-aziridinylmethyl)-2-nitro-1H-imidazole-1-ethanol (RSU 1069, 1) were synthesized and evaluated as selective hypoxic cell cytotoxic agents and as radiosensitizers. The aziridine moiety was replaced with a number of other potential alkylating groups including cycloalkylaziridines and azetidines. The data indicated that modification of the aziridine of 1 resulted in a substantial decrease in the ability of the compounds to selectively kill hypoxic cells. However, these modifications did not affect the compounds' in vitro radiosensitizing activity since many of the derivatives were as potent as 1. All of the compounds that were evaluated in vivo were less toxic than 1, and several members of this series had significant activity. The best compound was trans-alpha-[[(4-bromotetrahydro-2H-pyran-3-yl) amino]methyl]-2-nitro-1H-imidazole-1-ethanol (18), which, due to its activity and log P value, is a candidate for additional in vivo studies

  6. Translational diffusion in paramagnetic liquids by 1H NMR relaxometry: Nitroxide radicals in solution

    Science.gov (United States)

    Kruk, D.; Korpała, A.; Kubica, A.; Meier, R.; Rössler, E. A.; Moscicki, J.

    2013-01-01

    For nitroxide radicals in solution one can identify three frequency regimes in which 1H spin-lattice relaxation rate of solvent molecules depend linearly on square root of the 1H resonance frequency. Combining a recently developed theory of nuclear (proton) spin-lattice relaxation in solutions of nitroxide radicals [D. Kruk et al., J. Chem. Phys. 137, 044512 (2012)], 10.1063/1.4736854 with properties of the spectral density function associated with translational dynamics, relationships between the corresponding linear changes of the relaxation rate (for 14N spin probes) and relative translational diffusion coefficient of the solvent and solute molecules have been derived (in analogy to 15N spin probes [E. Belorizky et al., J. Phys. Chem. A 102, 3674 (1998)], 10.1021/jp980397h). This method allows a simple and straightforward determination of diffusion coefficients in spin-labeled systems, by means of 1H nuclear magnetic resonance (NMR) relaxometry. The approach has thoroughly been tested by applying to a large set of experimental data—1H spin-lattice relaxation dispersion results for solutions of different viscosity (decalin, glycerol, propylene glycol) of 14N and 15N spin probes. The experiments have been performed versus temperature (to cover a broad range of translational diffusion coefficients) using field cycling spectrometer which covers three decades in 1H resonance frequency, 10 kHz-20 MHz. The limitations of NMR relaxometry caused by the time scale of the translational dynamics as well as electron spin relaxation have been discussed. It has been shown that for spin-labeled systems NMR relaxometry gives access to considerably faster diffusion processes than for diamagnetic systems.

  7. Wilson's disease: 31P and 1H MR spectroscopy and clinical correlation

    International Nuclear Information System (INIS)

    Proton (1H) magnetic resonance spectroscopy (MRS) changes are noted in Wilson's disease (WD). However, there are no studies regarding membrane phospholipid abnormality using 31P MRS in these patients. We aimed to analyze the striatal spectroscopic abnormalities using 31P and 1H MRS in WD. Forty patients of WD (treated, 29; untreated,11) and 30 controls underwent routine MR image sequences and in vivo 2-D 31P and 1H MRS of basal ganglia using an image-selected technique on a 1.5-T MRI scanner. Statistical analysis was done using Student's t test. The mean durations of illness and treatment were 6.2 ± 7.4 and 4.8 ± 5.9 years, respectively. MRI images were abnormal in all the patients. 1H MRS revealed statistically significant reduction of N-acetyl aspartate (NAA)/choline (Cho) and NAA/creatine ratios in striatum (1H MRS) of treated patients compared to controls. The mean values of phosphomonoesters (PME) (p 31P MRS study. The duration of illness correlated well with increased PME/PDE [p < 0.001], PME/TPh [p < 0.05], and PDE/TPh [p < 0.05] and decreased NAA/Cho [p < 0.05] ratios. There was correlation of MRI score and reduced NAA/Cho ratio with disease severity. The PME/PDE ratio (right) was elevated in the treated group [p < 0.001] compared to untreated group. There is reduced breakdown and/or increased synthesis of membrane phospholipids and increased neuronal damage in basal ganglia in patients with WD. (orig.)

  8. Contribution of Chromosomes 1H ch S and 6H ch S to Fertility Restoration in the Wheat msH1 CMS System under Different Environmental Conditions

    OpenAIRE

    Almudena Castillo; Cristina Rodríguez-Suárez; Martín, Azahara C.; Fernando Pistón

    2015-01-01

    Exploiting hybrid wheat heterosis has been long pursued to increase crop yield, stability and uniformity. Cytoplasmic male sterility (CMS) systems based in the nuclear-cytoplasmic incompatible interactions are a classic way for hybrid seed production, but to date, no definitive system is available in wheat. The msH1 CMS system results from the incompatibility between the nuclear genome of wheat and the cytoplasmic genome of the wild barley Hordeum chilense. Fertility restoration of the CMS ph...

  9. Ethyl 1-[3-(1H-imidazol-1-ylpropyl]-2-(4-chlorophenyl-1H-benzo[d]imidazole-5-carboxylate dihydrate

    Directory of Open Access Journals (Sweden)

    Yeong Keng Yoon

    2011-09-01

    Full Text Available In the title compound, C22H21ClN4O2·2H2O, the almost-planar benzimidazole ring system [maximum deviation 0.014 (1 Å] is inclined at angles of 36.32 (5 and 74.75 (7° with respect to the phenyl and imidazole rings, respectively. In the crystal structure, the water molecules are linked to the organic molecules to form a three-dimensional network via O—H...N and O—H...O hydrogen bonds. The packing is further consolidated by a pair of bifurcated C—H...O bonds, generating R12(6 loops. C—H...π interactions are also observed.

  10. Mathematical glimpse on the Y chromosome degeneration

    Science.gov (United States)

    Lobo, M. P.

    2006-04-01

    The Y chromosomes are genetically degenerate and do not recombine with their matching partners X. Non-recombination of XY pairs has been pointed out as the key factor for the degeneration of the Y chromosome. The aim here is to show that there is a mathematical asymmetry in sex chromosomes which leads to the degeneration of Y chromosomes even in the absence of XX and XY recombination. A model for sex-chromosome evolution in a stationary regime is proposed. The consequences of their asymmetry are analyzed and lead us to a couple of conclusions. First, Y chromosome degeneration shows up sqrt{2} more often than X chromosome degeneration. Second, if nature prohibits female mortalities from beeing exactly 50%, then Y chromosome degeneration is inevitable.

  11. Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate-2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate.

    Science.gov (United States)

    Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry

    2016-04-01

    The title salts, C4H7N2 (+)·NO3 (-)·C4H6N2, (I), and C4H7N2 (+)·NO3 (-), (II), were obtained from solutions containing 2-methyl-imidazole and nitric acid in different concentrations. In the crystal structure of salt (I), one of the -NH H atoms of the imidazole ring shows half-occupancy, hence only every second mol-ecule is in its cationic form. The nitrate anion in this structure lies on a twofold rotation axis. The neutral 2-methyl-imidazole mol-ecule and the 2-methyl-1H-imidazol-3-ium cation inter-act through N-H⋯N hydrogen bonds to form [(C4H6N2)⋯(C4H7N2)(+)] pairs. These pairs are linked with two nitrate anions on both sides through bifurcated N-H⋯(O,O) hydrogen bonds into chains running parallel to [001]. In the crystal structure of salt (II), the C4H7N2 (+) cation and the NO3 (-) anion are both located on a mirror plane, leading to a statistical disorder of the methyl H atoms. The cations and anions again inter-act through bifurcated N-H⋯(O,O) hydrogen bonds, giving rise to the formation of chains consisting of alternating anions and cations parallel to [100]. PMID:27375869

  12. CHROMOSOMAL MULTIPLICITY IN BURKHOLDERIA CEPACIA

    Science.gov (United States)

    We have used CHEF gel electrophoresis to screen preparations of large DNA from different Burkholderia cepacia isolates for the presence of DNA species corresponding to the linearized forms of the three chromosomes of 3.4,2.5, and 0.9 Mb identified in B. cepacia strain 17616. DNA ...

  13. Vibrio chromosome-specific families

    DEFF Research Database (Denmark)

    Lukjancenko, Oksana; Ussery, David

    2014-01-01

    We have compared chromosome-specific genes in a set of 18 finished Vibrio genomes, and, in addition, also calculated the pan- and core-genomes from a data set of more than 250 draft Vibrio genome sequences. These genomes come from 9 known species and 2 unknown species. Within the finished...

  14. Chromosome Territory Modeller and Viewer.

    Science.gov (United States)

    Tkacz, Magdalena A; Chromiński, Kornel; Idziak-Helmcke, Dominika; Robaszkiewicz, Ewa; Hasterok, Robert

    2016-01-01

    This paper presents ChroTeMo, a tool for chromosome territory modelling, accompanied by ChroTeVi-a chromosome territory visualisation software that uses the data obtained by ChroTeMo. These tools have been developed in order to complement the molecular cytogenetic research of interphase nucleus structure in a model grass Brachypodium distachyon. Although the modelling tool has been initially created for one particular species, it has universal application. The proposed version of ChroTeMo allows for generating a model of chromosome territory distribution in any given plant or animal species after setting the initial, species-specific parameters. ChroTeMo has been developed as a fully probabilistic modeller. Due to this feature, the comparison between the experimental data on the structure of a nucleus and the results obtained from ChroTeMo can indicate whether the distribution of chromosomes inside a nucleus is also fully probabilistic or is subjected to certain non-random patterns. The presented tools have been written in Python, so they are multiplatform, portable and easy to read. Moreover, if necessary they can be further developed by users writing their portions of code. The source code, documentation, and wiki, as well as the issue tracker and the list of related articles that use ChroTeMo and ChroTeVi, are accessible in a public repository at Github under GPL 3.0 license. PMID:27505434

  15. Chromosome Territory Modeller and Viewer

    Science.gov (United States)

    Idziak-Helmcke, Dominika; Robaszkiewicz, Ewa; Hasterok, Robert

    2016-01-01

    This paper presents ChroTeMo, a tool for chromosome territory modelling, accompanied by ChroTeVi–a chromosome territory visualisation software that uses the data obtained by ChroTeMo. These tools have been developed in order to complement the molecular cytogenetic research of interphase nucleus structure in a model grass Brachypodium distachyon. Although the modelling tool has been initially created for one particular species, it has universal application. The proposed version of ChroTeMo allows for generating a model of chromosome territory distribution in any given plant or animal species after setting the initial, species-specific parameters. ChroTeMo has been developed as a fully probabilistic modeller. Due to this feature, the comparison between the experimental data on the structure of a nucleus and the results obtained from ChroTeMo can indicate whether the distribution of chromosomes inside a nucleus is also fully probabilistic or is subjected to certain non-random patterns. The presented tools have been written in Python, so they are multiplatform, portable and easy to read. Moreover, if necessary they can be further developed by users writing their portions of code. The source code, documentation, and wiki, as well as the issue tracker and the list of related articles that use ChroTeMo and ChroTeVi, are accessible in a public repository at Github under GPL 3.0 license. PMID:27505434

  16. Isolation and purification of BVⅠ-2H from bee venom and analysis of its biological action

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The medical use of bee venom for rheumatoid arthritis ( RA ) has a very long tradition. In this study, isolation and purification of polypeptides from bee venom were carried out on sephadex chromatography, heparin sepharose CL-6B chromatography and HPLC. Several fractions were extracted, and their effects on activation of splenocyte and THP-1 cell were studied. The inhibitory fraction was selected for further studies. Finally, BVⅠ-2H that the HPLC elution profiles was a single peak was isolated by C8 column. ESI- MS detection results showed that BVⅠ-2H was a fraction of bee venom, and the molecular weight of the major component was 644.8. BVⅠ-2H could inhibit ConA-induced splenocyte proliferation, IL-1 production and interfere with splenocyte cycle in mice. Moreover, BVⅠ-2H could inhibit PMA-induced TNFα production in THP-1 cells, which was due to its inhibitory effects on TNFα mRNA expression and protein phosphorylation of IκBα. Our studies indicated that BVⅠ-2H was one of the anti-inflammatory components of bee venom.

  17. Drivers of δ2H variations in an idealized extratropical cyclone

    Science.gov (United States)

    Dütsch, Marina; Pfahl, Stephan; Wernli, Heini

    2016-05-01

    Numerical model simulations of stable water isotopes help to improve our understanding of the complex processes driving isotopic variability in atmospheric moisture. We use the isotope-enabled Consortium for Small-Scale Modelling (COSMO) model to study the governing mechanisms of δ2H variations in an idealized extratropical cyclone. A set of experiments with differing initial conditions of δ2H in vapor and partly deactivated isotopic fractionation allows us to quantify the relative roles of cloud fractionation and vertical and horizontal advection for the simulated δ2H signals associated with the cyclone and fronts. Horizontal transport determines the large-scale pattern of δ2H in both vapor and precipitation, while fractionation and vertical transport are more important on a smaller scale, near the fronts. During the passage of the cold front fractionation leads to a V-shaped trend of δ2H in precipitation and vapor, which is, for vapor, superimposed on a gradual decrease caused by the arrival of colder air masses.

  18. Ethynyl (C2H) in massive star formation: Tracing the initial conditions?

    CERN Document Server

    Beuther, H; Henning, T; Linz, H

    2008-01-01

    APEX single-dish observations at sub-millimeter wavelengths toward a sample of massive star-forming regions reveal that C2H is almost omni-present toward all covered evolutionary stages from Infrared Dark Clouds via High-Mass Protostellar Objects to Ultracompact HII regions. High-resolution data from the Submillimeter Array toward one hot-core like High-Mass Protostellar Object show a shell-like distribution of C2H with a radius of ~9000AU around the central submm peak position. These observed features are well reproduced by a 1D cloud model with power-law density and temperature distributions and a gas-grain chemical network. The reactive C2H radical (ethynyl) is abundant from the onset of massive star formation, but later it is rapidly transformed to other molecules in the core center. In the outer cloud regions the abundance of C2H remains high due to constant replenishment of elemental carbon from CO being dissociated by the interstellar UV photons. We suggest that C2H may be a molecule well suited to stu...

  19. 1H-MR spectroscopy study in amyotrophic lateral sclerosis%肌萎缩侧索硬化症的~1H-MR波谱研究

    Institute of Scientific and Technical Information of China (English)

    韩静; 马林; 于生元

    2009-01-01

    Objective To characterize the features of proton magnetic resonance spectroscopy (1H-MRS)on amyotrophic lateral sclerosis(ALS)and its correlations with clinical scale.Methods Fifteen patienta with definite or probable ALS and 15 age and gender matched normal controls were enrolled.1H-MRS was performed on a 3.0 T GE imaging system(GE Medical System,Milwaukee,Wisconsin,USA).TE-averaged point resolved selective spectroscopy was used.N-acetylaspartate(NAA),creatine (Cr).Gh and Glx(glutamate+glutamine)values of subcortical motor area and posterior limb of the intemal capsule were acquired,t teat was used to compare differencea between groups,the correlations between the above valuea and clinical scale were analyzed.Results The motor area and posterior limb of the internal capsule in ALS patients had significantly lower NAA/Cr(1.91±0.34,1.53±0.17)compared with normal subjects(2.23±0.33,1.66±0.07)(t=4.25,2.90,P=0.00,0.01).ALS patients had significantly higher Glu/Cr(0.34±0.05,0.29±0.06)and Glx/Cr(0.40±0.04,0.33±0.06),compared with normal subjects(0.30±0.03,0.25±0.04)and(0.32±0.05,0.26±0.03)(t=2.56,2.40.7.34.5.30,P=0.02,0.03,0.00,0.00).The Norris scale of ALS patients were 57±8,ALSFRS were 29±4.The Norris scale was negatively correlated with Glx/Cr of primary motor cortex by lineal correlation analysis(r=-0.75,P=0.00),while ALSFRS had no correlation with GK/Cr.Conclusions Neuronal loss and Glu+Gln increase can be detected by using proton MRS in ALS patients.(1)H-MRS is an useful tool in reflecting the characteristic changes of metabolite in ALS.%目的 探讨肌萎缩侧索硬化症(ALS)患者的1H-MRS表现及其与临床评分的关系.方法 对15例临床确诊及拟诊为ALS的患者(ALS组)和15名年龄相匹配的健康志愿者(对照组)进行1H-MRS扫描,采用单体素平均TE选择性单点分辨波谱序列(TE-Averaged PRESS).扫描图像经后处理,分别获得以中央前回为中心的运动皮层和内囊后肢处的以下成分波峰:N-

  20. Multicolor spectral karyotyping of human chromosomes.

    Science.gov (United States)

    Schröck, E; du Manoir, S; Veldman, T; Schoell, B; Wienberg, J; Ferguson-Smith, M A; Ning, Y; Ledbetter, D H; Bar-Am, I; Soenksen, D; Garini, Y; Ried, T

    1996-07-26

    The simultaneous and unequivocal discernment of all human chromosomes in different colors would be of significant clinical and biologic importance. Whole-genome scanning by spectral karyotyping allowed instantaneous visualization of defined emission spectra for each human chromosome after fluorescence in situ hybridization. By means of computer separation (classification) of spectra, spectrally overlapping chromosome-specific DNA probes could be resolved, and all human chromosomes were simultaneously identified. PMID:8662537

  1. CHROMOSOMAL ABNORMALITIES IN PATIENTS WITH SPERM DISORDERS

    OpenAIRE

    L. Y. Pylyp; L. A. Spinenko; V. D. Zukin; N. M. Bilko

    2013-01-01

    Chromosomal abnormalities are among the most common genetic causes of spermatogenic disruptions. Carriers of chromosomal abnormalities are at increased risk of infertility, miscarriage or birth of a child with unbalanced karyotype due to the production of unbalanced gametes. The natural selection against chromosomally abnormal sperm usually prevents fertilization with sperm barring in cases of serious chromosomal abnormalities. However, assisted reproductive technologies in general and intrac...

  2. IGF2/H19 hypomethylation in a patient with very low birthweight, preocious pubarche and insulin resistance

    Directory of Open Access Journals (Sweden)

    Murphy Rinki

    2012-05-01

    Full Text Available Abstract Background Insulin like growth factor 2 (IGF2 is an imprinted gene, which has an important role in fetal growth as established in mice models. IGF2 is downregulated through hypomethylation of a differentially methylated region (DMR in Silver Russell syndrome (SRS, characterised by growth restriction. We have previously reported that severe pre- and post-natal growth restriction associated with insulin resistance and precocious pubarche in a woman without body asymmetry or other SRS features resulted from a balanced translocation affecting the regulation of her IGF2 gene expression. We hypothesised that severe pre- and post-natal growth restriction associated with insulin resistance and precocious pubarche in the absence of SRS are also caused by downregulation of IGF2 through hypomethylation, gene mutation or structural chromosomal abnormalities. Methods We performed routine karyotyping, IGF2 gene sequencing and investigated DNA methylation of the IGF2 differentially methylated region (DMR0 and H19 DMR using pyrosequencing, in four women selected for very low birth weight ( Results We identified a 20 year old woman with severe hypomethylation at both DMRs. She was the smallest at birth (birthweight SDS,-3.9, and had the shortest adult height (143 cm. The patient was diagnosed with polycystic ovarian syndrome at the age of 15 years, and had impaired fasting glucose in the presence of a low BMI (19.2 kg/m2. Conclusions Our case of growth restriction, premature pubarche and insulin resistance in the absence of body asymmetry or other features of SRS adds to the expanding phenotype of IGF2/H19 methylation abnormalities. Further studies are needed to confirm whether growth restriction in association with premature pubarche and insulin resistance is a specific manifestation of reduced IGF2 expression.

  3. Evolution of sex chromosomes ZW of Schistosoma mansoni inferred from chromosome paint and BAC mapping analyses.

    Science.gov (United States)

    Hirai, Hirohisa; Hirai, Yuriko; LoVerde, Philip T

    2012-12-01

    Chromosomes of schistosome parasites among digenetic flukes have a unique evolution because they exhibit the sex chromosomes ZW, which are not found in the other groups of flukes that are hermaphrodites. We conducted molecular cytogenetic analyses for investigating the sex chromosome evolution using chromosome paint analysis and BAC clones mapping. To carry this out, we developed a technique for making paint probes of genomic DNA from a single scraped chromosome segment using a chromosome microdissection system, and a FISH mapping technique for BAC clones. Paint probes clearly identified each of the 8 pairs of chromosomes by a different fluorochrome color. Combination analysis of chromosome paint analysis with Z/W probes and chromosome mapping with 93 BAC clones revealed that the W chromosome of Schistosoma mansoni has evolved by at least four inversion events and heterochromatinization. Nine of 93 BAC clones hybridized with both the Z and W chromosomes, but the locations were different between Z and W chromosomes. The homologous regions were estimated to have moved from the original Z chromosome to the differentiated W chromosome by three inversions events that occurred before W heterohcromatinization. An inversion that was observed in the heterochromatic region of the W chromosome likely occurred after W heterochromatinization. These inversions and heterochromatinization are hypothesized to be the key factors that promoted the evolution of the W chromosome of S. mansoni. PMID:22831897

  4. Chromosome Aberrations by Heavy Ions

    Science.gov (United States)

    Ballarini, Francesca; Ottolenghi, Andrea

    It is well known that mammalian cells exposed to ionizing radiation can show different types of chromosome aberrations (CAs) including dicentrics, translocations, rings, deletions and complex exchanges. Chromosome aberrations are a particularly relevant endpoint in radiobiology, because they play a fundamental role in the pathways leading either to cell death, or to cell conversion to malignancy. In particular, reciprocal translocations involving pairs of specific genes are strongly correlated (and probably also causally-related) with specific tumour types; a typical example is the BCR-ABL translocation for Chronic Myeloid Leukaemia. Furthermore, aberrations can be used for applications in biodosimetry and more generally as biomarkers of exposure and risk, that is the case for cancer patients monitored during Carbon-ion therapy and astronauts exposed to space radiation. Indeed hadron therapy and astronauts' exposure to space radiation represent two of the few scenarios where human beings can be exposed to heavy ions. After a brief introduction on the main general features of chromosome aberrations, in this work we will address key aspects of the current knowledge on chromosome aberration induction, both from an experimental and from a theoretical point of view. More specifically, in vitro data will be summarized and discussed, outlining important issues such as the role of interphase death/mitotic delay and that of complex-exchange scoring. Some available in vivo data on cancer patients and astronauts will be also reported, together with possible interpretation problems. Finally, two of the few available models of chromosome aberration induction by ionizing radiation (including heavy ions) will be described and compared, focusing on the different assumptions adopted by the authors and on how these models can deal with heavy ions.

  5. A case of trisomy of chromosome 15

    OpenAIRE

    Coldwell, S; Fitzgerald, B.; Semmens, J.M.; Ede, R; Bateman, C

    1981-01-01

    We describe a case of trisomy of chromosome 15 in an infant who presented at birth with numerous abnormalities. As far as we are aware this chromosomal abnormality has not been described before. On the basis of this one case there appear to be no features which are specific to this chromosomal abnormality.

  6. A Novel Orange Juice Concentration Method Based on C2H4 Clathrate Hydrate Formation

    Directory of Open Access Journals (Sweden)

    Shifeng Li

    2014-06-01

    Full Text Available A novel orange juice concentration method by C2H4 hydrate formation was presented. The experiments were carried out in a high-pressure stirred reactor. The changes of temperature and pressure during C2H4 hydrate formation were discussed under different pressure (2.10 and 4.43 MPa. Dehydration ratio was defined in order to evaluate the separation efficiency. It was found that secondary nucleation happened under higher initial pressure. The dehydration ratios were 20.2 and 99.3% with initial pressure at 2.10 and 4.43 MPa, respectively. The results demonstrated that removal of water by formation of C2H4 hydrate is a potential technology for orange juice concentration.

  7. Natural 4-Hydroxy-2,5-dimethyl-3(2H-furanone (Furaneol®

    Directory of Open Access Journals (Sweden)

    Wilfried Schwab

    2013-06-01

    Full Text Available 4-Hydroxy-2,5-dimethyl-3(2H-furanone (HDMF, furaneol® and its methyl ether 2,5-dimethyl-4-methoxy-3(2H-furanone (DMMF are import aroma chemicals and are considered key flavor compounds in many fruit. Due to their attractive sensory properties they are highly appreciated by the food industry. In fruits 2,5-dimethyl-3(2H-furanones are synthesized by a series of enzymatic steps whereas HDMF is also a product of the Maillard reaction. Numerous methods for the synthetic preparation of these compounds have been published and are applied by industry, but for the development of a biotechnological process the knowledge and availability of biosynthetic enzymes are required. During the last years substantial progress has been made in the elucidation of the biological pathway leading to HDMF and DMMF. This review summarizes the latest advances in this field.

  8. Hydrogenation-induced atomic stripes on the 2 H -MoS2 surface

    Science.gov (United States)

    Han, Sang Wook; Yun, Won Seok; Lee, J. D.; Hwang, Y. H.; Baik, J.; Shin, H. J.; Lee, Wang G.; Park, Young S.; Kim, Kwang S.

    2015-12-01

    We report that the hydrogenation of a single crystal 2 H -MoS2 induces a novel-intermediate phase between 2H and 1T phases on its surface, i.e., the large-area, uniform, robust, and surface array of atomic stripes through the intralayer atomic-plane gliding. The total energy calculations confirm that the hydrogenation-induced atomic stripes are energetically most stable on the MoS2 surface between the semiconducting 2H and metallic 1T phase. Furthermore, the electronic states associated with the hydrogen ions, which is bonded to sulfur anions on both sides of the MoS2 surface layer, appear in the vicinity of the Fermi level (EF) and reduces the band gap. This is promising in developing the monolayer-based field-effect transistor or vanishing the Schottky barrier for practical applications.

  9. A SAS2H/KENO-V Methodology for 3D Full Core depletion analysis

    International Nuclear Information System (INIS)

    This paper describes the use of a SAS2H/KENO-V methodology for 3D full core depletion analysis and illustrates its capabilities by applying it to burnup analysis of the IRIS core benchmarks. This new SAS2H/KENO-V sequence combines a 3D Monte Carlo full core calculation of node power distribution and a 1D Wigner-Seitz equivalent cell transport method for independent depletion calculation of each of the nodes. This approach reduces by more than an order of magnitude the time required for getting comparable results using the MOCUP code system. The SAS2H/KENO-V results for the asymmetric IRIS core benchmark are in good agreement with the results of the ALPHA/PHOENIX/ANC code system. (author)

  10. New coordination modes in potassium edta salts: K2[H2edta]2H2O, K3[Hedta]2H2O and K4[edta]·3.92H2O.

    Science.gov (United States)

    Krawczyk, Monika K; Lis, Tadeusz

    2011-07-01

    Three potassium edta (edta is ethylenediaminetetraacetic acid, H(4)Y) salts which have different degrees of ionization of the edta anion, namely dipotassium 2-({2-[bis(carboxylatomethyl)azaniumyl]ethyl}(carboxylatomethyl)azaniumyl)acetate dihydrate, 2K(+)·C(10)H(14)N(2)O(8)(2-)·2H(2)O, (I), tripotassium 2,2'-({2-[bis(carboxylatomethyl)amino]ethyl}ammonio)diacetate dihydrate, 3K(+)·C(10)H(13)N(2)O(8)(3-)·2H(2)O, (II), and tetrapotassium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate 3.92-hydrate, 4K(+)·C(10)H(12)N(2)O(8)(4-)·3.92H(2)O, (III), were obtained in crystalline form from water solutions after mixing edta with potassium hydroxide in different molar ratios. In (II), a new mode of coordination of the edta anion to the metal is observed. The HY(3-) anion contains one deprotonated N atom coordinated to K(+) and the second N atom is involved in intramolecular bifurcated N-H···O and N-H···N hydrogen bonds. The overall conformation of the HY(3-) anions is very similar to that of the Y(4-) anions in (III), although a slightly different spatial arrangement of the -CH(2)COO(-) groups in relation to (III) is observed, whereas the H(2)Y(2-) anions in (I) adopt a distinctly different geometry. The preferred synclinal conformation of the -NCH(2)CH(2)N- moiety was found for all edta anions. In all three crystals, the anions and water molecules are arranged in three-dimensional networks linked via O-H···O and C-H···O [and N-H···O in (I) and (II)] hydrogen bonds. K···O interactions also contribute to the three-dimensional polymeric architecture of the salts. PMID:21727627

  11. On-board electric vehicle battery charger with enhanced V2H operation mode

    OpenAIRE

    Monteiro, Vítor Duarte Fernandes; Exposto, Bruno Fernandes; Pinto, J. G.; Almeida, Raul Fernando Silva; João C. Ferreira; Meléndez, Andrés A. Nogueiras; João L Afonso

    2014-01-01

    This paper proposes an on-board Electric Vehicle (EV) battery charger with enhanced Vehicle-to-Home (V2H) operation mode. For such purpose was adapted an on-board bidirectional battery charger prototype to allow the Grid-to-Vehicle (G2V), Vehicle-to-Grid (V2G) and V2H operation modes. Along the paper are presented the hardware topology and the control algorithms of this battery charger. The idea underlying to this paper is the operation of the on-board bidirectional ba...

  12. 4-Methyl-2-oxo-2H-chromen-7-yl 4-methoxybenzenesulfonate

    Directory of Open Access Journals (Sweden)

    Suman Sinha

    2011-12-01

    Full Text Available In the title compound, C17H14O6S, the 2H-chromene ring is essentially planar, with a maximum deviation of 0.016 (1 Å. The dihedral angle between the 2H-chromene and the benzene rings is 54.61 (5°. The C atom of the methoxy group is close to coplanar with its attached ring [deviation = 0.082 (2 Å]. In the crystal, molecules are connected via C—H...O hydrogen bonds, forming sheets lying parallel to the bc plane. Weak C—H...π interactions are also observed.

  13. Effects of structural modulations on the quasiparticle distribution in 2H-TaSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Haenke, Torben; Kordyuk, Alexander; Zabolotnyy, Volodymyr; Evtushinsky, Daniil; Sass, Paul; Hess, Christian; Borisenko, Sergey; Buechner, Bernd [IFW Dresden, Institute for Solid State Research, P.O. Box 270116, D-01171 Dresden (Germany); Berger, Helmut [Institut de Physique Appliquee, EPF, 1015 Lausanne (Switzerland)

    2009-07-01

    We report on a temperature dependent scanning tunneling microscopy (STM) and angle resolved photoemission (ARPES) study of the Cu intercalated dichalcogenide 2H-TaSe{sub 2}. The Cu intercalation leads not only to a lowering of the transition temperature into the commensurate charge-density wave state (CDW) but also to the formation of a {radical}(13) x {radical}(13) superstructure, previously observed for the 1T polytype only. The origin, spectroscopic appearance, and influence of these superstructures on the electronic properties of 2H-TaSe{sub 2} are discussed.

  14. Effects of structural modulations on the quasiparticle distribution in 2H-TaSe2

    International Nuclear Information System (INIS)

    We report on a temperature dependent scanning tunneling microscopy (STM) and angle resolved photoemission (ARPES) study of the Cu intercalated dichalcogenide 2H-TaSe2. The Cu intercalation leads not only to a lowering of the transition temperature into the commensurate charge-density wave state (CDW) but also to the formation of a √(13) x √(13) superstructure, previously observed for the 1T polytype only. The origin, spectroscopic appearance, and influence of these superstructures on the electronic properties of 2H-TaSe2 are discussed.

  15. Multicomponent Synthesis of 3,6-Dihydro-2H-1,3-thiazine-2-thiones

    Directory of Open Access Journals (Sweden)

    Frans J. J. de Kanter

    2012-02-01

    Full Text Available Non-fused 3,6-dihydro-2H-1,3-thiazine-2-thiones constitute a so far rather unexplored class of compounds, with the latest report dating back more than two decades. Thiazine-2-thiones contain an endocyclic dithiocarbamate group, which is often found in pesticides, in substrates for radical chemistry and in synthetic intermediates towards thioureas and amidines. We now report the multicomponent reaction (MCR of in situ-generated 1-azadienes with carbon disulfide. With this reaction, a one-step protocol towards the potentially interesting 3,6-dihydro-2H-1,3-thiazine-2-thiones was established and a small library was synthesized.

  16. Trojan Horse particle invariance for 2H(d,p)3H reaction: a detailed study

    OpenAIRE

    Pizzone R.G.; Spitaleri C.; Bertulani C.A.; Mukhamedzhanov A.M.; Blokhintsev L.; La Cognata M.; Lamia L.; Rinollo A.; Spartá R.; Tumino A.

    2014-01-01

    In the last decades the Trojan Horse method has played a crucial role for the measurement of several charged particle induced reactions cross sections of astrophysical interest. To better understand its cornerstones and its applications to physical cases many tests were performed to verify all its properties and the possible future perspectives. The Trojan Horse nucleus invariance for the binary d(d,p)t reaction was therefore tested using the quasi free 2H(6Li, pt)4He and 2H(3He,pt)H reaction...

  17. Study of the peak effect phenomenon in single crystals of 2H-NbSe2

    Indian Academy of Sciences (India)

    C V Tomy; D Pal; S S Banerjee; S Ramakrishnan; A K Grover; S Bhattacharya; M Higgins; G Balakrishnan; McK Paul

    2002-05-01

    The weakly pinned single crystals of the hexagonal 2H-NbSe2 compound have emerged as prototypes for determining and characterizing the phase boundaries of the possible order–disorder transformations in the vortex matter. We present here a status report based on the ac and dc magnetization measurements of the peak effect phenomenon in three crystals of 2H-NbSe2, in which the critical current densities vary over two orders of magnitude. We sketch the generic vortex phase diagram of a weakly pinned superconductor, which also utilizes theoretical proposals. We also establish the connection between the metastability effects and pinning.

  18. Analytical potential energy surface for O + C2H2 system

    Science.gov (United States)

    Garashchuk, Sophya; Rassolov, Vitaly A.; Braams, Bastiaan J.

    2013-11-01

    Full-dimensional analytical potential energy surfaces (PESs) for the O(1P) + C2H2 and O(3P) + C2H2 reactions are presented. The PESs are constructed by fitting thousands of ab initio data points using permutationally invariant polynomials [5]. Electronic structure data are obtained within the restricted coupled cluster theory with single and double excitations with perturbative triple corrections and correlation consistent basis set of triple-ζ with diffuse functions. Motivated by experiments, formation of DOCC and cyclic DCCO at collision energies of 2.5-4 eV is examined using quasi-classical trajectory dynamics on the triplet surface.

  19. Infrared intensities and optical constants of crystalline C 2H 4 and C 2D 4

    Science.gov (United States)

    Zhao, G.; Ospina, M. J.; Khanna, R. K.

    Infrared absorption spectra of several thin films of C 2H 4 and C 2D 4 at ˜55 K were investigated at ˜0.6 cm -1 resolution. The integrated band intensities of the infrared active fundamental modes were obtained by a linear fit of the integrated absorbances vs film thickness. An iterative Kramers—Kronig analysis of the absorption data was carried out to obtain the complex refractive indices of crystalline C 2H 4 and C 2D 4 in the regions of absorption bands.

  20. Chromosome mapping of Xenopus tropicalis using the G- and Ag-bands: tandem duplication and polyploidization of larvae heads.

    Science.gov (United States)

    Uehara, Mariko; Haramoto, Yoshikazu; Sekizaki, Hiroyuki; Takahashi, Shuji; Asashima, Makoto

    2002-10-01

    Developmental cytogenetic analyses of Xenopus tropicalis larvae from two origins were performed on stage 27-34 heads treated with colchicine. Standard G-band karyotyping using trypsin and chromosome mapping of 184 bands were examined. Although the main karyotype was 2n = 20, polyploidy (3n = 30 or 4n = 40) and aneuploidy were detected in each individual treated with colchicine, even those treated for only 1 h. The percentage of polyploid karyotypes was 10-20% across the total of measured metaphases. The mean mitotic index was 0.10. Chromosomal breaks and exchanges were detected at the secondary constriction of chromosomes 5 or 6. Ag-band detection showed clearly positive staining at the secondary constriction of chromosome 5, which corresponds to the nucleolar organizer region. Tandem duplication of negative G-bands at the secondary constriction of chromosome 6 and the short arm of chromosome 10 was suggested by this study. X. tropicalis thus provides a good model to study the mechanism and effects of chromosomal abnormalities, gene mapping and tissue specific gene expression in the developmental process. PMID:12392576

  1. Chromosomal instability in Streptomyces avermitilis: major deletion in the central region and stable circularized chromosome

    Directory of Open Access Journals (Sweden)

    Wen Ying

    2010-07-01

    Full Text Available Abstract Background The chromosome of Streptomyces has been shown to be unstable, frequently undergoing gross chromosomal rearrangements. However, the mechanisms underlying this phenomenon remain unclear, with previous studies focused on two chromosomal ends as targets for rearrangements. Here we investigated chromosomal instability of Streptomyces avermitilis, an important producer of avermectins, and characterized four gross chromosomal rearrangement events, including a major deletion in the central region. The present findings provide a valuable contribution to the mechanistic study of genetic instability in Streptomyces. Results Thirty randomly-selected "bald" mutants derived from the wild-type strain all contained gross chromosomal rearrangements of various types. One of the bald mutants, SA1-8, had the same linear chromosomal structure as the high avermectin-producing mutant 76-9. Chromosomes of both strains displayed at least three independent chromosomal rearrangements, including chromosomal arm replacement to form new 88-kb terminal inverted repeats (TIRs, and two major deletions. One of the deletions eliminated the 36-kb central region of the chromosome, but surprisingly did not affect viability of the cells. The other deletion (74-kb was internal to the right chromosomal arm. The chromosome of another bald mutant, SA1-6, was circularized with deletions at both ends. No obvious homology was found in all fusion sequences. Generational stability analysis showed that the chromosomal structure of SA1-8 and SA1-6 was stable. Conclusions Various chromosomal rearrangements, including chromosomal arm replacement, interstitial deletions and chromosomal circularization, occurred in S. avermitilis by non-homologous recombination. The finding of an inner deletion involving in the central region of S. avermitilis chromosome suggests that the entire Streptomyces chromosome may be the target for rearrangements, which are not limited, as previously

  2. The origin of human chromosome 2 analyzed by comparative chromosome mapping with a DNA microlibrary

    OpenAIRE

    Wienberg, Johannes; Jauch, Anna; Lüdecke, H J; Senger, G; Horsthemke, B; Claussen, U; Cremer, Thomas; Arnold, N.; Lengauer, Christoph

    1994-01-01

    Fluorescencein situ hybridization (FISH) of microlibraries established from distinct chromosome subregions can test the evolutionary conservation of chromosome bands as well as chromosomal rearrangements that occurred during primate evolution and will help to clarify phylogenetic relationships. We used a DNA library established by microdissection and microcloning from the entire long arm of human chromosome 2 for fluorescencein situ hybridization and comparative mapping of the chromosomes of ...

  3. Comparative 1H NMR-based metabonomic analysis of HIV-1 sera

    International Nuclear Information System (INIS)

    1H NMR spectroscopy of sera from HIV-1 infected and uninfected individuals was performed on 300 and 600 MHz instruments. The resultant spectra were automatically data reduced to 90 and 180 integral segments of equal length. Analysis of variance identified significant differences between the sample groups, especially for the samples analyzed on 600 MHz and reduced to fewer segments. Linear discriminant analysis correctly classified 100% of the samples analyzed on the 300 MHz NMR (reduced to 180 segments); an increase in instrument sensitivity resulted in lower percentages of correctly classified samples. Multinomial logistic regression (MLR) resulted in 100% correct classification of all samples from both instruments. Thus 1H-NMR metabonomics on either instrument distinguishes HIV-positive individuals using or not using anti retroviral therapy, but the sensitivity of the instrument impacts on data reduction. Furthermore, MLR is a novel multivariate statistical technique for improved classification of biological data analyzed in NMR

  4. Comparative {sup 1}H NMR-based metabonomic analysis of HIV-1 sera

    Energy Technology Data Exchange (ETDEWEB)

    Philippeos, C. [University of Johannesburg, Department of Biochemistry (South Africa); Steffens, F. E. [University of Pretoria, Department of Statistics (South Africa); Meyer, D. [University of Pretoria, Department of Biochemistry (South Africa)], E-mail: debra.meyer@up.ac.za

    2009-07-15

    {sup 1}H NMR spectroscopy of sera from HIV-1 infected and uninfected individuals was performed on 300 and 600 MHz instruments. The resultant spectra were automatically data reduced to 90 and 180 integral segments of equal length. Analysis of variance identified significant differences between the sample groups, especially for the samples analyzed on 600 MHz and reduced to fewer segments. Linear discriminant analysis correctly classified 100% of the samples analyzed on the 300 MHz NMR (reduced to 180 segments); an increase in instrument sensitivity resulted in lower percentages of correctly classified samples. Multinomial logistic regression (MLR) resulted in 100% correct classification of all samples from both instruments. Thus {sup 1}H-NMR metabonomics on either instrument distinguishes HIV-positive individuals using or not using anti retroviral therapy, but the sensitivity of the instrument impacts on data reduction. Furthermore, MLR is a novel multivariate statistical technique for improved classification of biological data analyzed in NMR.

  5. Quantitative analysis of sugars in wood hydrolyzates with 1H NMR during the autohydrolysis of hardwoods.

    Science.gov (United States)

    Mittal, Ashutosh; Scott, Gary M; Amidon, Thomas E; Kiemle, David J; Stipanovic, Arthur J

    2009-12-01

    The focus of this work was to determine the utility of (1)H NMR spectroscopy in the quantification of sugars resulting from the solubilization of hemicelluloses during the autohydrolysis of hardwoods and the use of this technique to evaluate the kinetics of this process over a range of temperatures and times. Yields of residual xylan, xylooligomers, xylose, glucose, and the degraded products of sugars, i.e., furfural and HMF (5-hydroxymethyl furfural), were determined. The monosaccharide and oligomer contents were quantified with a recently developed high resolution (1)H NMR spectroscopic analysis. This method provided precise measurement of the residual xylan and cellulose remaining in the extracted wood samples and xylose and glucose in the hydrolyzates. NMR was found to exhibit good repeatability and provided carbohydrate compositional results comparable to published methods for sugar maple and aspen woods. PMID:19674893

  6. 1H MAS NMR spectra of hy- droxyl species on diatomite surface

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    High spinning speed 1H magic-angle spinning nuclear magnetic resonance (1H MAS NMR) was used to detect surface hydroxyl groups of diatomite, which include isolated hydroxyl groups and hydrogen-bonded hydroxyl groups, and water adsorbed on diatomite surface that include pore water and hydrogen-bonded water. The corresponding proton chemical shifts of above species are ca. 2.0, 6.0-7.1, 4.9 and 3.0 respectively. Accompanied by thermal treatment temperature ascending, the pore water and hydrogen-bonded water are desorbed successively. As a result, the relative intensities of the peaks assigned to protons of isolat-ed hydroxyl groups and hydrogen-bonded hydroxyl groups increase gradually and reach their maxima at 1000℃. After 1100℃ calcination, the hydroxyl groups that classified to strongly hydrogen-bonded ones and the isolated hydroxyl groups condense basically. But some weakly hydrogen-bonded hydroxyl groups may still persist in the micropores.

  7. Localized 1hω particle-hole strength in nuclei

    International Nuclear Information System (INIS)

    A cross section enhancement, persisting to high momentum transfer, has been observed around 1hω in excitation energy in spectra from inelastic proton-, alpha- and electron scattering on 90Zr, 116Sn, 196Pt and 208Pb. Data are presented for (p,p') at 201 MeV, (α,α') at 120 MeV and analyzed together with existing data obtained with 133.8 MeV polarized ( vector p,p') on 116Sn and electron-scattering data on 116Sn and 196Pt. Two different interpretations of the observed enhancement are discussed: that of the incoherent sum of all 1hω cross section and alternatively the sum over the isoscalar normal modes of all multipolarities. ((orig.))

  8. Localized 1h{omega} particle-hole strength in nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Hofstee, M.A. [Rijksuniversiteit Groningen (Netherlands). Kernfysisch Versneller Inst.; Werf, S.Y. van der [Rijksuniversiteit Groningen (Netherlands). Kernfysisch Versneller Inst.; Berg, A.M. van den [Rijksuniversiteit Groningen (Netherlands). Kernfysisch Versneller Inst.; Blasi, N. [Dipartimento di Fisica dell` Universita and INFN, Sezione di Milano, I-20133 Milano (Italy); Bordewijk, J.A. [Rijksuniversiteit Groningen (Netherlands). Kernfysisch Versneller Inst.; Borghols, W.T.A. [National Institute for Nuclear Physics and High-Energy Physics, Section K, P.O. Box 41882, 1009 DB Amsterdam (Netherlands); De Leo, R. [Dipartimento di Fisica dell` Universita and INFN, Sezione di Bari, I-70126 Bari (Italy); Emery, G.T. [Department of Physics, Bowdoin College, Brunswick, ME 04011, USA, and Indiana University Cyclotron Facility, Bloomington, IN 47408 (United States); Fortier, S. [Institut de Physique Nucleaire, Orsay (France); Gales, S. [Institut de Physique Nucleaire, Orsay (France); Harakeh, M.N. [Rijksuniversiteit Groningen (Netherlands). Kernfysisch Versneller Inst.; Heijer, P. den [National Institute for Nuclear Physics and High-Energy Physics, Section K, P.O. Box 41882, 1009 DB Amsterdam (Netherlands); Jager, C.W. de [National Institute for Nuclear Physics and High-Energy Physics, Section K, P.O. Box 41882, 1009 DB Amsterdam (Netherlands); Langevin-Joliot, H. [Institut de Physique Nucleaire, Orsay (France); Micheletti, S. [Dipartimento di Fisica dell` Universita and INFN, Sezione di Milano, I-20133 Milano (Italy); Morlet, M. [Institut de Physique Nucleaire, Orsay (France); Pignanelli, M. [Dipartimento di Fisica dell` Universita and INFN, Sezione di Milano, I-20133 Milano (Italy); Schippers, J.M. [Rijksuniversiteit Groningen (Netherlands). Kernfysisch Versneller Inst.; Vries, R. de [National Institute for Nuclear Physics and High-Energy Physics, Section K, P.O. Box 41882, 1009 DB Amsterdam (Netherlands); Willis, A.

    1995-06-12

    A cross section enhancement, persisting to high momentum transfer, has been observed around 1h{omega} in excitation energy in spectra from inelastic proton-, alpha- and electron scattering on {sup 90}Zr, {sup 116}Sn, {sup 196}Pt and {sup 208}Pb. Data are presented for (p,p`) at 201 MeV, ({alpha},{alpha}`) at 120 MeV and analyzed together with existing data obtained with 133.8 MeV polarized ( vector p,p`) on {sup 116}Sn and electron-scattering data on {sup 116}Sn and {sup 196}Pt. Two different interpretations of the observed enhancement are discussed: that of the incoherent sum of all 1h{omega} cross section and alternatively the sum over the isoscalar normal modes of all multipolarities. ((orig.)).

  9. Discrimination of sugarcane according to cultivar by 1H NMR and chemometric analyses

    Energy Technology Data Exchange (ETDEWEB)

    Alves Filho, Elenilson G.; Silva, Lorena M.A.; Choze, Rafael; Liao, Luciano M. [Laboratorio de Ressonancia Magnetica Nuclear, Instituto de Quimica, Universidade Federal de Goias (UFG), Goiania, GO (Brazil); Honda, Neli K.; Alcantara, Glaucia B. [Departamento de Quimica, Universidade Federal de Mato Grosso do Sul (UFMS), Campo Grande, MS (Brazil)

    2012-07-01

    Several technologies for the development of new sugarcane cultivars have mainly focused on the increase in productivity and greater disease resistance. Sugarcane cultivars are usually identified by the organography of the leaves and stems, the analysis of peroxidase and esterase isoenzyme activities and the total soluble protein as well as soluble solid content. Nuclear magnetic resonance (NMR) associated with chemometric analysis has proven to be a valuable tool for cultivar assessment. Thus, this article describes the potential of chemometric analysis applied to 1H high resolution magic angle spinning (HRMAS) and NMR in solution for the investigation of sugarcane cultivars. For this purpose, leaves from eight different cultivars of sugarcane were investigated by {sup 1}H NMR spectroscopy in combination with chemometric analysis. The approach shows to be a useful tool for the distinction and classification of different sugarcane cultivars as well as to access the differences on its chemical composition. (author)

  10. (1)H-NMR-based discrimination of thermal and vinegar treated ginseng roots.

    Science.gov (United States)

    Kim, So-Hyun; Hyun, Sun-Hee; Yang, Seung-Ok; Choi, Hyung-Kyoon; Lee, Boo-Yong

    2010-08-01

    To investigate the changes in nonvolatile metabolites of thermal and/or vinegar treated ginseng (TVG), samples prepared using various treatment conditions were analyzed using an (1)H-NMR-based metabolomics technique. The processing conditions of the ginseng in this study were 100, 140, and 180 degrees C with and without vinegar and the duration of exposure to each temperature was 10, 30, and 50 min, respectively. There was a clear separation in the score plots among various treatment conditions. Major compounds contributing to the separation of 50% methanol extracts of TVG with various process conditions were valine, lactate, alanine, arginine, glucose, fructose, and sucrose. As temperature increased, valine, arginine, glucose, fructose, and sucrose concentrations decreased, whereas lactate, glucose, and fructose increased in the vinegar-treated samples compared to non-vinegar-treated samples. The present study suggests the usefulness of an (1)H-NMR-based metabolomics approach to discriminate TVG samples, subjected to different processing conditions. PMID:20722913

  11. Exploring the 3-piperidin-4-yl-1H-indole scaffold as a novel antimalarial chemotype.

    Science.gov (United States)

    Santos, Sofia A; Lukens, Amanda K; Coelho, Lis; Nogueira, Fátima; Wirth, Dyann F; Mazitschek, Ralph; Moreira, Rui; Paulo, Alexandra

    2015-09-18

    A series of 3-piperidin-4-yl-1H-indoles with building block diversity was synthesized based on a hit derived from an HTS whole-cell screen against Plasmodium falciparum. Thirty-eight compounds were obtained following a three-step synthetic approach and evaluated for anti-parasitic activity. The SAR shows that 3-piperidin-4-yl-1H-indole is intolerant to most N-piperidinyl modifications. Nevertheless, we were able to identify a new compound (10d) with lead-like properties (MW = 305; cLogP = 2.42), showing antimalarial activity against drug-resistant and sensitive strains (EC50 values ∼ 3 μM), selectivity for malaria parasite and no cross-resistance with chloroquine, thus representing a potential new chemotype for further optimization towards novel and affordable antimalarial drugs. PMID:26295174

  12. Direct detection of solanesol in tobacco by 1H and 13C magic angle spinning NMR

    International Nuclear Information System (INIS)

    1H and 13C NMR have been used to detect solanesol directly in tobacco without destroying or modifying the sample. Magic angle sample spinning was employed to remove the resonance line broadening due to variations of magnetic susceptibility within the sample. 13C line widths of ca . 10 Hz were obtained. The 1H MAS spectrum of tobacco allows the solanesol signals to be resolved from the broad signal of exchangeable protons. 13C spin-lattice relaxation times (T3) and nuclear Overhauser enhancements (NOE) of solanesol in chloroform solution, in intact tobacco, and as nest oil indicate that the polyisoprene chain motion in tobacco is restricted relative to the motion in solution but still sufficient to average out the dipolar couplings between protons and carbons. (author)

  13. A sup 1 H nuclear magnetic resonance study of structural and organisational changes in the cell

    CERN Document Server

    Tunnah, S K

    2000-01-01

    Increasing importance is being placed on understanding the role of membrane lipids in many different areas of biochemistry. It is of interest to determine what interactions may occur between membrane lipids and drug species. Furthermore, an increasing body of evidence suggests that membrane lipids are involved in the pathology of numerous diseases such as rheumatoid arthritis, cancer and HIV. Clearly, the more information available on the mechanisms involved in diseases, the greater the potential for identifying a cure or even a prevention. sup 1 H nuclear magnetic resonance (NMR) spectroscopy was used to study the alterations in membrane lipid organisation and structure in intact, viable cultured cells. Changes in the sup 1 H NMR spectra and the spin-lattice relaxation measurements of the human K562 and the rat FRTL-5 cell lines were observed on the addition of the fatty acid species: triolein, evening primrose oil, arachidonic acid and ITF 1779. Results indicate that the membrane lipids are reorganised to a...

  14. Dangling-bond logic gates on a Si(100)-(2 × 1)-H surface

    International Nuclear Information System (INIS)

    Atomic-scale Boolean logic gates (LGs) with two inputs and one output (i.e. OR, NOR, AND, NAND) were designed on a Si(100)-(2 × 1)-H surface and connected to the macroscopic scale by metallic nano-pads physisorbed on the Si(100)-(2 × 1)-H surface. The logic inputs are provided by saturating and unsaturating two surface Si dangling bonds, which can, for example, be achieved by adding and extracting two hydrogen atoms per input. Quantum circuit design rules together with semi-empirical elastic-scattering quantum chemistry transport calculations were used to determine the output current intensity of the proposed switches and LGs when they are interconnected to the metallic nano-pads by surface atomic-scale wires. Our calculations demonstrate that the proposed devices can reach ON/OFF ratios of up to 2000 for a running current in the 10 µA range. (paper)

  15. 1H chemical shift imaging characterization of human brain tumor and edema

    International Nuclear Information System (INIS)

    Longitudinal (T1) and transverse (T2) relaxation times of metabolites in human brain tumor, peritumoral edema, and unaffected brain tissue were assessed from point resolved spectroscopy (PRESS) 1H chemical shift imaging results at different repetition times (TR=1500 and 5000 ms; T1: n=19) and echo times (TE=135 and 270 ms; T2: n=7). Metabolite T1 and T2 relaxation times in unaffected brain tissue corresponded with those published for healthy volunteers. T2 relaxation times were reduced in tumor (choline, N-acetyl aspartate) and edema (choline, creatine) compared with unaffected brain tissue (p1H chemical shift imaging is most suited in the use of choline elevation as tumor marker. (orig.)

  16. Evaluation of saffron (Crocus sativus L.) adulteration with plant adulterants by (1)H NMR metabolite fingerprinting.

    Science.gov (United States)

    Petrakis, Eleftherios A; Cagliani, Laura R; Polissiou, Moschos G; Consonni, Roberto

    2015-04-15

    In the present work, a preliminary study for the detection of adulterated saffron and the identification of the adulterant used by means of (1)H NMR and chemometrics is reported. Authentic Greek saffron and four typical plant-derived materials utilised as bulking agents in saffron, i.e., Crocus sativus stamens, safflower, turmeric, and gardenia were investigated. A two-step approach, relied on the application of both OPLS-DA and O2PLS-DA models to the (1)H NMR data, was adopted to perform authentication and prediction of authentic and adulterated saffron. Taking into account the deficiency of established methodologies to detect saffron adulteration with plant adulterants, the method developed resulted reliable in assessing the type of adulteration and could be viable for dealing with extensive saffron frauds at a minimum level of 20% (w/w). PMID:25466103

  17. Preliminary study of 3T 1H MR spectroscopy in bone and soft tissue tumors

    Institute of Scientific and Technical Information of China (English)

    QI Zi-hua; LI Chuan-fu; LI Zhen-feng; ZHANG Kai; WANG Qian; YU De-xin

    2009-01-01

    Background Magnetic resonance spectroscopy (MRS) is one method that can examine noninvasively the alive specimen of the organ, metabolism of the organ and cell, and the biochemistry change. MRS provides the biochemistry information that may be used to diagnose tumors or differentiate the malignant tumor from benign. The objective of this study is to investigate the benign and malignant bone and soft tissue tumors by 1H-MR spectroscopy (1H-MRS) on a 3 Tesla MR scanner, then to assess the usefulness of 'H-MRS in diagnosing bone and soft tissue tumors and distinguishing benign from malignant tumors. Methods Fifty-six patients with bone and soft tissue tumors proved clinically and pathologically were examined with 1H-MRS. 1H-MRS was performed to study malignant musculoskeletal tumors, benign tumors and normal muscle adjacent to lesions to analyze the characteristics, and single-voxel point-resolved spectroscopy sequence was used. Proton brain exam-single voxel of 1H-MRS which directly appeared in the spectrum, was observed to find the peak height of choline compounds (Cho) opposite to the creatine (Cr), and whether there was a Cho peak. Metabolite values were calculated automatically from the area under each metabolite peak by the Functool 3.1 software. Metabolite ratios of Cho/Cr were manually calculated. Then according to the results, it was judged whether there existed benign or malignant tumors. The Kappa statistical test was used to analyze the MRS results, the histopathology data and the surgical situation. Statistics processing was performed using the software package SPSS11.5 for Windows. Results1H-MRS spectra style of bone and soft tissue tumors was different from that of normal muscle, and differences also existed between benign and malignant tumors. Choline level in malignant tumor was markedly higher than that in benign tumors. Cho/Cr in malignant tumor was higher than in benign tumor significantly (P<0.05). The true positive rate of bone and soft tissue

  18. Nonvortical Rashba Spin Structure on a Surface with C_{1h} Symmetry.

    Science.gov (United States)

    Annese, Emilia; Kuzumaki, Takuya; Müller, Beate; Yamamoto, Yuta; Nakano, Hiroto; Kato, Haruki; Araki, Atsushi; Ohtaka, Minoru; Aoki, Takashi; Ishikawa, Hirotaka; Hayashida, Takashi; Osiecki, Jacek R; Miyamoto, Koji; Takeichi, Yasuo; Harasawa, Ayumi; Yaji, Koichiro; Shirasawa, Tetsuroh; Nittoh, Koh-Ichi; Yang, Wooil; Miki, Kazushi; Oda, Tatsuki; Yeom, Han Woong; Sakamoto, Kazuyuki

    2016-07-01

    A totally anisotropic peculiar Rashba-Bychkov (RB) splitting of electronic bands was found on the Tl/Si(110)-(1×1) surface with C_{1h} symmetry by angle- and spin-resolved photoelectron spectroscopy and first-principles theoretical calculation. The constant energy contour of the upper branch of the RB split band has a warped elliptical shape centered at a k point located between Γ[over ¯] and the edge of the surface Brillouin zone, i.e., at a point without time-reversal symmetry. The spin-polarization vector of this state is in-plane and points almost the same direction along the whole elliptic contour. This novel nonvortical RB spin structure is confirmed as a general phenomenon originating from the C_{1h} symmetry of the surface. PMID:27419582

  19. Nonvortical Rashba Spin Structure on a Surface with C1 h Symmetry

    Science.gov (United States)

    Annese, Emilia; Kuzumaki, Takuya; Müller, Beate; Yamamoto, Yuta; Nakano, Hiroto; Kato, Haruki; Araki, Atsushi; Ohtaka, Minoru; Aoki, Takashi; Ishikawa, Hirotaka; Hayashida, Takashi; Osiecki, Jacek R.; Miyamoto, Koji; Takeichi, Yasuo; Harasawa, Ayumi; Yaji, Koichiro; Shirasawa, Tetsuroh; Nittoh, Koh-ichi; Yang, Wooil; Miki, Kazushi; Oda, Tatsuki; Yeom, Han Woong; Sakamoto, Kazuyuki

    2016-07-01

    A totally anisotropic peculiar Rashba-Bychkov (RB) splitting of electronic bands was found on the Tl /Si (110 )-(1 ×1 ) surface with C1 h symmetry by angle- and spin-resolved photoelectron spectroscopy and first-principles theoretical calculation. The constant energy contour of the upper branch of the RB split band has a warped elliptical shape centered at a k point located between Γ ¯ and the edge of the surface Brillouin zone, i.e., at a point without time-reversal symmetry. The spin-polarization vector of this state is in-plane and points almost the same direction along the whole elliptic contour. This novel nonvortical RB spin structure is confirmed as a general phenomenon originating from the C1 h symmetry of the surface.

  20. N-Carbethoxy-N′-(3-phenyl-1H-1,2,4-triazol-5-ylthiourea

    Directory of Open Access Journals (Sweden)

    Anton V. Dolzhenko

    2010-02-01

    Full Text Available The title compound {systematic name: ethyl N-[N-(3-phenyl-1H-1,2,4-triazol-5-ylcarbamothioyl]carbamate}, C12H13N5O2S, exists in the 3-phenyl-5-thioureido-1H-1,2,4-triazole tautomeric form stabilized by intramolecular hydrogen bonding between the endocyclic NH H atom and the thioureido S atom. The molecular structure is also stabilized by intramolecular N—H...O=C hydrogen bonds arranged in an S(6 graph-set motif within the carbethoxythiourea moiety. The mean planes of the phenyl and 1,2,4-triazole rings make a dihedral angle of 7.61 (11°. In the crystal, the molecules form two types of inversion dimers. Intermolecular hydrogen bonds are arranged in R22(6 and R22(8 graph-set motifs, together forming a network parallel to (111.

  1. A Gas-Phase Investigation of Oxygen-Hydrogen Exchange Reaction of O(3P) + C2H5 → H(2S) + C2H4O

    International Nuclear Information System (INIS)

    The gas-phase radical-radical reaction O(3P) + C2H5 (ethyl) → H(2S) + CH3CHO (acetaldehyde) was investigated by applying a combination of vacuum-ultraviolet laser-induced fluorescence spectroscopy in a crossed beam configuration and ab initio calculations. The two radical reactants O(3P) and C2H5 were respectively produced by photolysis of NO2 and supersonic flash pyrolysis of the synthesized precursor azoethane. Doppler profile analysis of the nascent H-atom products in the Lyman-α region revealed that the average translational energy of the products and the average fraction of the total available energy released as translational energy were 5.01 ± 0.72 kcal mol-1 and 6.1%, respectively. The empirical data combined with CBS-QB3 level ab initio theory and statistical calculations demonstrated that the title exchange reaction is a major channel and proceeds via an addition-elimination mechanism through the formation of a short-lived, dynamical addition complex on the doublet potential energy surface. On the basis of systematic comparison with several exchange reactions of hydrocarbon radicals, the observed small kinetic energy release can be explained in terms of the loose transition state with a product-like geometry and a small reverse activation barrier along the reaction coordinate

  2. Synthesis and Crystal Structure of Ni3(admt)6(NCS)6·C2H5OH·2H2O

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Reaction of nickel (Ⅱ) perchlorate with 4-amino-3,5-dimethyl-1,2,4-triaxole(admt)and NG4NCS gave a trinuclear complex Ni3(admtrz)6 (NCS)6·C2H5OH·2H2O,C32H58N30Ni3O3S6.The compound crystallizes in the orthorhombic space group Pbca(#61) with a=13. 551(3) , b=25.146(6), c=16.553(4) A, V=5640(2)A 3, Z=4, Mr=1279.47, Dc=1. 507 g/cm3; μ(Mo-Kα)=12.70 cm-1 and F(000) = 2656. The final refinement with 2543 observed reflections is converged with R= 0. 058 and Rw= 0. 069. In the Ni3 (admt)6 (NCS)6 molecule, the central nickel atom is coordinated in a distorted octahedral environment by four triazole bridges and two thiocyanate bridges. The terminal nickel atoms are in addition coordinated by two thiocyanate and one admtrz ligand, and thus also have a distorted octahedral geometry.Ni-N distances are 2.040(7)-2. 222(7) A, Ni-Ni distances are 3. 411(1) A.

  3. Structural characterization, thermal, dielectric, vibrational properties and molecular motions in [C3N2H5]6[Bi4Br18

    Science.gov (United States)

    Piecha, A.; Jakubas, R.; Pietraszko, A.; Baran, J.; Medycki, W.; Kruk, D.

    2009-11-01

    [C3N2H5]6[Bi4Br18] has been synthesized and characterized by the X-ray (at 293 and 110 K), calorimetric, dilatometric and dielectric measurements. At room temperature it crystallizes in the monoclinic space group, C2/ m. A crystal structure consists of disordered imidazolium cations and ordered discrete tetramers of [Bi4Br18]. This compound reveals a rich polymorphism in a solid state. It undergoes three solid-solid phase transitions: from phase I to II at 426/423 K (heating-cooling), II→III at 227 K and III→IV at 219.5/219 K. A clear dielectric relaxation process is found in the room temperature phase II. Infrared studies of the polycrystalline [C3N2H5]6[Bi4Br18] showed that the ν(N-H), δ(ring) and δ(C-H) modes of the imidazolium cations appeared to be very sensitive to the IV→III phase transition. 1H NMR measurements confirmed a key role of the imidazolium cations in the phase transitions mechanisms at low temperatures.

  4. catena-Poly[[[aqua­chlorido­manganese(II)]-bis­[μ-1,1′-(oxydi-p-phenyl­ene)di-1H-imidazole-κ2 N 3:N 3′

    OpenAIRE

    Xiao-Long Mu

    2011-01-01

    The title coordination polymer, {[MnCl(C18H14N4O)2(H2O)]Cl·C3H7NO·H2O}n, obtained by the solvothermal reaction of BIDPE and manganese(II) salt in H2O/DMF (DMF is dimethylformamide), is composed of a chain of [Mn2(BIDPE)2] [BIDPE is 1,1′-(oxydi-p-phenylene)di-1H-imidazole] metallocyclic rings that exhibit inversion symmetry. The coordination about the Mn(II) ions is distorted octahedral with a MnClN4O coordination set. In the crystal, the polymeric chains are linked...

  5. Applications of 1H-NMR relaxometry in experimental liver studies

    International Nuclear Information System (INIS)

    Purpose of this study was to investigate applications of proton nuclear magnetic resonance (1H-NMR) relaxometry in experimental medicine. Relaxometry was performed by measurements of spin-lattice (T1) and spin-spin (T2) relaxation time parameters on liver biopsies up to four hours after biopsy excision. Variations of relaxation times due to species and strain, different sample handling and different liver damage models, ethionine fatty liver and paracetamol liver necrosis, were investigated. Cell integrity effects were studied on homogenized liver samples. Relaxation time parameters, especially 'main' components T1A and T2A of biexponential model fit, were identified to react very sensitive after tissue damages as well as to cell viability. Thus, investigation of stored liver grafts was performed in order to evaluate the possibility of a rapid liver graft viability testing method for human liver transplantation surgery by 1H-NMR relaxometry. Another series of measurements was performed to investigate the applicability of isoflurane anesthesia for in vivo NMR experiments. This study proved the good appropriateness of isoflurane for that purpose provided that physiological monitoring and individual adjustment of anesthesia are performed. In these investigations it could be revealed that mainly T1A and T2A are influenced by tissue condition and that different information is inherent in these two parameters, with T2A reflecting tissue viability and changes of tissue conditions very sensitively but rather unspecifically in respect to the damage applied. Based on these results the following future applications of 1H-NMR relaxometry are suggested : (1) model investigations, (2) investigation of given pathologies, (3) investigation of basic requirements for in vivo NMR and (4) application in a liver graft viability testing protocol, which seems to be the most important future application of 1H-NMR relaxometry in medicine. (author)

  6. 23Na and 1H NMR studies on melittin channels activated by tricyclic tranquilizers.

    OpenAIRE

    Tanaka, H.; Matsunaga, K.; Kawazura, H

    1992-01-01

    A dynamic 23Na nuclear magnetic resonance (NMR) technique was applied to the exchange system of Na+ ions present inside and outside large unilamellar vesicles at an equivalent concentration. Addition of melittin to phosphatidylcholine vesicles did not induce any detectable Na+ transport across the membrane but subsequent addition of a trace of chlorpromazine or imipramine did induce Na+ transport. Because the formation of a drug-melittin adduct in a solution was detected by 1H NMR, the activa...

  7. 1H NMR spectroscopic determination of deterioration marker compounds in fats and oils

    OpenAIRE

    Skiera, Christina

    2013-01-01

    In food and pharmaceutical analysis, the classical indices peroxide value (PV), acid value (AV) and p-anisidine value (ANV) still play an important role as quality and authenticity control parameters of fats and oils. These indices are sum parameters for certain deterioration products (PV for hydroperoxides, AV for free fatty acids, ANV for aldehydes) and are obtained using volumetric or UV/VIS spectroscopic analytical approaches. 1H NMR spectroscopy provides a fast and simple alternative to ...

  8. (2-Chlorophenyl-3-methylchromeno[2,3-c]pyrazol-4(1H-one

    Directory of Open Access Journals (Sweden)

    Wolfgang Holzer

    2010-03-01

    Full Text Available The title compound was prepared by treatment of 1-(2-chlorophenyl-3-methyl-2-pyrazolin-5-one with 2-chlorobenzoyl chloride / Ca(OH2 in 1,4-dioxane and subsequent cyclization of the thus obtained 4-aroyl-5-hydroxypyrazole with sodium hydride in dry DMF. Detailed spectroscopic data (1H NMR, 13C NMR, 15N NMR, IR, MS are presented.

  9. 3-Methyl-1-phenyl-1H-pyrazol-5-yl 2-Bromo-3-furan-carboxylate

    Directory of Open Access Journals (Sweden)

    Karin Schalle

    2009-07-01

    Full Text Available The reaction of 3-methyl-1-phenyl-2-pyrazolin-5-one and 2-bromo-3-furoyl chloride in the presence of Ca(OH2 in 1,4-dioxane gave the title compound. The latter was also obtained in much higher yield upon reaction of the starting materials in the system dichloromethane / triethylamine. Detailed spectroscopic data (1H NMR, 13C NMR, 15N NMR, IR, MS are presented.

  10. 1H MRS spectroscopy in brain tumors - in search of the highest efficacy

    International Nuclear Information System (INIS)

    Many thousands of published papers, a lot of communications and daily practice show the outstanding role of proton spectroscopy (1H MRS) in neurooncology. Paradoxically, in several clinical centres (neurosurgery ones) we can observe the lack of full acceptance of the reliability of this method. Presumably, the reason for this attitude lies in non-uniform methodology and quite superficial treatment of spectroscopic results. At the beginning of this paper, we would like to stress that fortunately, there is a certain number of publications which order criteria of tumor's malignancy, its tissue characterisation and the degree of malignancy. In this paper we intend to point out the proper ways of improving reliability of 1H MRS in brain tumor diagnosis. Obviously, the quality of spectroscopic exams is influenced by methodology and manner of result interpretation (e.g. just simple visual inspection of MRS spectra is not sufficient for correct diagnosis). Currently, imaging diagnosis of brain tumors is based on many modalities (DTI, perfusion CT, MR, PET, SPECT) which are sufficiently effective in detection and differentiation of the lesions; in this context, we can say that 1H MRS spectroscopy constitutes the element of multimodal diagnostic approach for brain tumors. Nevertheless, the current papers concerning MR spectroscopy stress its significant role in making therapeutic decision, particularly as an alternative for surgery treatment and solution of the recurrence of tumor or/and extent of the tumor's spreading. Over 15 years of experience with 1H MRS in diagnosis of brain tumors convinced us that these methods have very high diagnostic and decision-making value provided that it is properly applied and interpreted correctly. It is also important to choose the statistic methods that will show the best discriminators (markers) for particular pathologies. Authors' intention is to recommend the best ways to form the right diagnosis considering technological requirements

  11. Synthesis and antileishmanial activity of new 1-Aryl-1H-Pyrazole-4- carboximidamides derivatives

    International Nuclear Information System (INIS)

    Chemotherapy for leishmaniasis, diseases caused by protozoa of the genus Leishmania, remains inefficient in several treatments. So there is a need to search for new drugs. In this work, we have synthesized 1-aryl-1H-pyrazole-4-carboximidamides derivatives and evaluated antileishmanial activities in vitro, as well as cytotoxic effects. Structure-activity relationship (SAR) studies were carried out with all the compounds of the series. Compound 2 showed an activity profile that can be improved through medicinal chemistry strategies. (author)

  12. 1H NMR study of thermotropic phase transition in aqueous polymer solutions

    Czech Academy of Sciences Publication Activity Database

    Spěváček, Jiří; Hanyková, L.

    Poznan : Adam Mickiewicz University, Poznan, 2002 - (Garsztka, M.; Pisula, D.; Wegorowska, W.). s. 237 [Congress AMPERE: Magnetic Resonance and Related Phenomena /31./. 15.07.2002-19.07.2002, Poznan] R&D Projects: GA AV ČR KSK4050111 Grant ostatní: GA UK(CZ) 164/20B Keywords : 1H NMR * thermotropic phase transition * poly(vinyl methyl ether)/D2O solutions Subject RIV: CD - Macromolecular Chemistry

  13. 1H and 31P nuclear magnetic resonance spectroscopy of erythrocyte extracts in myotonic muscular dystrophy

    International Nuclear Information System (INIS)

    Extracts freshly prepared from erythrocytes of patients with myotonic muscular dystrophy, their unaffected siblings, and normal control subjects were examined with both 1H and 31P nuclear magnetic resonance spectroscopy. A moderate variability was found in the relative amounts of various nonphosphorylated compounds among patients and control subjects; however, no significant differences were found between the groups. As for the phosphorylated compounds, the sum of ADP+ATP was found significantly elevated in the myotonic muscular dystrophy patients

  14. MR diffusion imaging and 1H spectroscopy in a child with medulloblastoma: A case report

    Energy Technology Data Exchange (ETDEWEB)

    Wilke, M. [Max-Planck-Institute of Psychiatry, Muenchen (Germany). NMR Study Group; Eidenschink, A.; Mueller-Weihrich, S. [Technical Univ. of Muenchen, (Germany). Childrens' Hospital; Auer, D.P. [Max-Planck-Institute of Psychiatry, Muenchen (Germany). NMR Study Group

    2000-01-01

    We report on a child with a metastasising medulloblastoma which was assessed by MR diffusion imaging and 1H MR spectroscopy (MRS). Reduced mean apparent diffusion coefficients and a high amount of taurine could be demonstrated. This is the first reported case of high taurine in medulloblastoma in vivo and confirms earlier in vitro findings. It is suggested that the changes on diffusion imaging, possibly reflecting the small-cell histology of the tumour and high taurine in MRS, are indicative of medulloblastoma.

  15. Synthese und pharmakologische Charakterisierung dualer Histamin-H1-/H4-Rezeptorliganden

    OpenAIRE

    Wagner, Eva

    2012-01-01

    Im Rahmen dieses Promotionsprojektes sollten duale H1-/H4-Rezeptor-Antagonisten entwickelt werden. Der im Jahr 2000 entdeckte H4-Rezeptor spielt wie der H1-Rezeptor eine Rolle in der Pathogenese von allergischen Krankheiten[1]. Ausschlaggebend für diese Arbeit waren die Ergebnisse der Neumann-Forschungsgruppe[2]: es wurde gezeigt, dass die kombinierte Gabe von H1-Rezeptorantagonist (Mepyramin) und H4-Rezeptorantagonist (JNJ7777120) zu einem synergistischen Effekt im akuten murinen Asthm...

  16. Metabonomic signature analysis of cervical carcinoma and precancerous lesions in women by 1H NMR spectroscopy

    OpenAIRE

    Hasim, Ayshamgul; ALI, MAYINUER; MAMTIMIN, BATUR; Ma, Jun-Qi; Li, Qiao-Zhi; ABUDULA, ABULIZI

    2012-01-01

    1H nuclear magnetic resonance (NMR)-based metabonomics has been used to characterize the metabolic profiles of cervical intraepithelial neoplasia (CIN) and cervical squamous cell carcinoma (CSCC). Principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA) were used to model the systematic variation related to patients with CIN or CSCC with healthy controls. Potential metabolic biomarkers were identified using database comparisons, and the one-way a...

  17. Application of 1H-NMR metabolomic profiling for reef-building corals.

    Directory of Open Access Journals (Sweden)

    Emilia M Sogin

    Full Text Available In light of global reef decline new methods to accurately, cheaply, and quickly evaluate coral metabolic states are needed to assess reef health. Metabolomic profiling can describe the response of individuals to disturbance (i.e., shifts in environmental conditions across biological models and is a powerful approach for characterizing and comparing coral metabolism. For the first time, we assess the utility of a proton-nuclear magnetic resonance spectroscopy (1H-NMR-based metabolomics approach in characterizing coral metabolite profiles by 1 investigating technical, intra-, and inter-sample variation, 2 evaluating the ability to recover targeted metabolite spikes, and 3 assessing the potential for this method to differentiate among coral species. Our results indicate 1H-NMR profiling of Porites compressa corals is highly reproducible and exhibits low levels of variability within and among colonies. The spiking experiments validate the sensitivity of our methods and showcase the capacity of orthogonal partial least squares discriminate analysis (OPLS-DA to distinguish between profiles spiked with varying metabolite concentrations (0 mM, 0.1 mM, and 10 mM. Finally, 1H-NMR metabolomics coupled with OPLS-DA, revealed species-specific patterns in metabolite profiles among four reef-building corals (Pocillopora damicornis, Porites lobata, Montipora aequituberculata, and Seriatopora hystrix. Collectively, these data indicate that 1H-NMR metabolomic techniques can profile reef-building coral metabolomes and have the potential to provide an integrated picture of the coral phenotype in response to environmental change.

  18. Application of 1H-NMR Metabolomic Profiling for Reef-Building Corals

    Science.gov (United States)

    Sogin, Emilia M.; Anderson, Paul; Williams, Philip; Chen, Chii-Shiarng; Gates, Ruth D.

    2014-01-01

    In light of global reef decline new methods to accurately, cheaply, and quickly evaluate coral metabolic states are needed to assess reef health. Metabolomic profiling can describe the response of individuals to disturbance (i.e., shifts in environmental conditions) across biological models and is a powerful approach for characterizing and comparing coral metabolism. For the first time, we assess the utility of a proton-nuclear magnetic resonance spectroscopy (1H-NMR)-based metabolomics approach in characterizing coral metabolite profiles by 1) investigating technical, intra-, and inter-sample variation, 2) evaluating the ability to recover targeted metabolite spikes, and 3) assessing the potential for this method to differentiate among coral species. Our results indicate 1H-NMR profiling of Porites compressa corals is highly reproducible and exhibits low levels of variability within and among colonies. The spiking experiments validate the sensitivity of our methods and showcase the capacity of orthogonal partial least squares discriminate analysis (OPLS-DA) to distinguish between profiles spiked with varying metabolite concentrations (0 mM, 0.1 mM, and 10 mM). Finally, 1H-NMR metabolomics coupled with OPLS-DA, revealed species-specific patterns in metabolite profiles among four reef-building corals (Pocillopora damicornis, Porites lobata, Montipora aequituberculata, and Seriatopora hystrix). Collectively, these data indicate that 1H-NMR metabolomic techniques can profile reef-building coral metabolomes and have the potential to provide an integrated picture of the coral phenotype in response to environmental change. PMID:25354140

  19. Statistical contributrion to the analysis of metabonomic data in 1H-NMR spectroscopy

    OpenAIRE

    Rousseau, Réjane

    2011-01-01

    This thesis provides a complete methodology to lead a metabonomic study from the data acquisition to the discovery of biomarkers. Metabonomics aims to discover biomarkers or the metabolites altered in biological reactions. 1H-NMR spectroscopy is used to generate spectral profiles describing the composition of metabolites in collected biofluid samples. Statistical comparisons of spectra obtained in various biological states permits a quantitative investigation of metabolites changes inherent t...

  20. Multivoxel 1H-MR spectroscopy in obstructive sleep apnea hypopnea syndrome

    International Nuclear Information System (INIS)

    Objective: To investigate the clinical value of multivoxel 1H magnetic resonance spectroscopy (1H-MRS) in patients with obstructive sleep apnea hypopnea syndrome (OSAHS). Materials and Methods: 20 patients (case group) with moderate to severe clinically diagnosed OSAHS and 20 age-gender matched healthy volunteers (control group) underwent brain multivoxel 1H-MRS examinations. The ratios of brain metabolites of centrum ovale and basal ganglia were recorded respectively. Related clinical indexes, including sleep apnea and hypopnea index (AHI) and the average night-time oxygen saturation (SpO2), were recorded. Results: In region of centrum ovale, the NAA/Cho and NAA/Cr of the case group decreased and were significantly lower than that of control group (P<0.05). The Cho/Cr of the case group was significantly increased compared to the controls (P<0.05). In region of basal ganglia, the NAA/Cho, NAA/Cr, and Cho/Cr had no significantly difference between the two groups (P>0.05). Lactate peak was not detected in the two groups. In the region of centrum ovale, the AHI showed inverse correlation to the NAA/Cho (P<0.05). The SpO2 showed positive correlations to the NAA/Cho (P<0.05). There was no correlation between clinical indexes and NAA/Cr or Cho/Cr (P>0.05). Conclusion: Multivoxel 1H-MRS could early detect the changes of cerebral metabolism in patients with OSAHS. It provides an objective imaging basis for the clinical diagnosis and treatment. (authors)

  1. MRI and {sup 1}H MRS findings in Smith-Lemli-Opitz syndrome

    Energy Technology Data Exchange (ETDEWEB)

    Caruso, P.A. [Department of Radiology, Massachusetts Eye and Ear Infirmary, Boston, MA (United States); Harvard Medical School, Boston, MA (United States); Poussaint, T.Y. [Department of Radiology, Children' s Hospital, 300 Longwood Avenue, MA 02115, Boston (United States); Tzika, A.A.; Astrakas, L.G. [Department of Surgery, Massachusetts General Hospital, Boston, MA (United States); Zurakowski, D. [Department of Biostatistics, Children' s Hospital Boston, Boston, MA (United States); Elias, E.R. [Department of Pediatrics and Genetics, Children' s Hospital, Denver, CO (United States); School of Medicine, University of Colorado, Denver, CO (United States); Bay, C. [Department of Medical Genetics, Children' s Hospital of Pittsburgh, Pittsburgh, PA (United States); Irons, M.B. [Division of Clinical Genetics and Metabolism, Children' s Hospital Boston, Boston, MA (United States)

    2004-01-01

    Smith-Lemli-Opitz syndrome (SLOS) is an autosomal recessive disorder characterized by a defect in cholesterol biosynthesis, associated with mental retardation and multisystem structural abnormalities. This study investigated the prevalence of congenital CNS abnormalities by MRI in a large series of patients with SLOS and the correlation of the clinical and biochemical findings with the results of MRI and {sup 1}H MRS. Eighteen patients were studied; all underwent MRI of the brain, and 16 had {sup 1}H MRS of the cerebral white matter. The ratios choline:NAA, lipid:NAA, and lipid:choline metabolite were found to be correlated with the clinical degree of disease severity, serum total sterol ratios (cholesterol/cholesterol + 7-dehydrocholesterol + 8-dehydrocholesterol) and in two cases with the effect of cholesterol therapy. Abnormal CNS findings were noted in five patients, including callosal abnormalities (n=4), Dandy-Walker variant (n=1), and arachnoid cyst (n=1). Holoprosencephaly was noted in one patient with a prevalence of 6%. Choline:NAA was elevated in seven patients. There was a statistically significant positive correlation between the lipid:choline ratio and the serum cholesterol precursor, 8-dehydrocholesterol. In two patients {sup 1}H MRS demonstrated abnormally elevated lipids prior to cholesterol therapy, which improved on therapy. The use of MRI and {sup 1}H MRS is an effective way to demonstrate brain structural abnormalities in patients with SLOS and may prove to be an effective method for the assessment of the effects of cholesterol replacement therapy in the brain. (orig.)

  2. 2-(2-hydroxyethyl)-1H,3H-benzo[c]pyrrol-1-one

    Czech Academy of Sciences Publication Activity Database

    Urban, Jiří; Fábry, Jan; Zuman, P.; Ludvík, Jiří; Císařová, I.

    2007-01-01

    Roč. 63, - (2007), o4137-o4138. ISSN 1600-5368 R&D Projects: GA MŠk 1P05ME785 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z10100520 Keywords : 2-(2-hydroxyethyl)-1H,3H-benzo[c]pyrrol-1-one * hydrogen bonds * interactions Subject RIV: CG - Electrochemistry Impact factor: 0.508, year: 2007

  3. Molecular neurodevelopment: An in vivo31P-1H MRSI study

    OpenAIRE

    Goldstein, Gerald; Panchalingam, Kanagasabai; McClure, Richard J.; Stanley, Jeffrey A.; Calhoun, Vince D.; Pearlson, Godfrey D.; Pettegrew, Jay W.

    2009-01-01

    Synaptic development and elimination are normal neurodevelopmental processes which if altered could contribute to various neuropsychiatric disorders. 31P-1H magnetic resonance spectroscopic imaging and structural MRI exams were conducted on 106 healthy children ages 6–18 years in order to identify neuromolecular indices of synaptic development and elimination. Over the age range studied, age-related changes in high-energy phosphate (phosphocreatine), membrane phospholipid metabolism (precurso...

  4. Cholinergic Dysfunction in Fragile X Syndrome and Potential Intervention: A Preliminary 1H MRS Study

    OpenAIRE

    Kesler, Shelli R.; Lightbody, Amy A.; Reiss, Allan L.

    2009-01-01

    Males with fragile X syndrome are at risk for significant cognitive and behavioral deficits, particularly those involving executive prefrontal systems. Disruption of the cholinergic system secondary to fragile X mental retardation protein deficiency may contribute to the cognitive-behavioral impairments associated with fragile X. We measured choline in the dorsolateral prefrontal cortex of 9 males with fragile X syndrome and 9 age-matched typically developing controls using 1H magnetic resona...

  5. 1 H MR Spectroscopy in Gliomatosis: Is there a Sensitivity Issue?

    OpenAIRE

    Eljamel, M.S.; M. Szewczyk-Bieda; Main, G.; Kanodia, A. K.

    2011-01-01

    Objective. 1H MR spectroscopy (MRS) is widely performed for assessment of brain tumours and is considered a highly sensitive technique capable of differentiating benign from malignant conditions and tumour grading. Method. We present a case of a 69 year old woman who was suspected to have gliomatosis on MRI. Results. MRS performed using single voxel and chemical shift/multivoxel techniques was within normal limits. A repeat scan 6 months later showed progressive disease, and biopsy was perfor...

  6. MR diffusion imaging and 1H spectroscopy in a child with medulloblastoma: A case report

    International Nuclear Information System (INIS)

    We report on a child with a metastasising medulloblastoma which was assessed by MR diffusion imaging and 1H MR spectroscopy (MRS). Reduced mean apparent diffusion coefficients and a high amount of taurine could be demonstrated. This is the first reported case of high taurine in medulloblastoma in vivo and confirms earlier in vitro findings. It is suggested that the changes on diffusion imaging, possibly reflecting the small-cell histology of the tumour and high taurine in MRS, are indicative of medulloblastoma

  7. Follow-up gliomas after radiotherapy: {sup 1}H MR spectroscopic imaging for increasing diagnostic accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Lichy, Matthias Philipp; Plathow, Christian [German Cancer Research Center, Department of Radiology, Heidelberg (Germany); University of Tuebingen, Department of Diagnostic Radiology, Tuebingen (Germany); Schulz-Ertner, Daniela [University of Heidelberg, Department of Radiation Therapy, Heidelberg (Germany); Kauczor, Hans-Ulrich [German Cancer Research Center, Department of Radiology, Heidelberg (Germany); Schlemmer, Heinz-Peter [University of Tuebingen, Department of Diagnostic Radiology, Tuebingen (Germany)

    2005-11-01

    We evaluated the value of magnetic resonance imaging (MRI) and the additional benefit of proton MR spectroscopic imaging ({sup 1}H SI) in patients with a new suspicious lesion after fractionated stereotactic radiotherapy (FSRT) of a glioma. Thirty-four patients with histologically proven astrocytoma WHO II-IV after treatment by FSRT and a new suspect lesion in the follow-up were included in this study. Data were analysed by three independent radiologists with different experience in {sup 1}H SI: Data were verified by clinical follow-up (PT, progressive tumour; nPT, non-progressive tumour) and a kappa analysis was performed. Sensitivity and specificity of T{sub 1} weighted (w) and T{sub 2}w MRI was compared (imaging at radiotherapy and follow-up) using further follow-up controls as gold standard and the additional benefit of {sup 1}H SI (imaging at follow-up) was calculated. Mean interval between last irradiation and detection of a suspicious lesion was 37 {+-} 32 months. Time to clinical evaluation was 13 {+-} 8 months. Interobserver agreement was significantly high in all analyses (kappa always >0.8, P < 0.05). T{sub 2}w imaging proved to be superior to contrast enhanced T{sub 1}w imaging in sensitivity (87.5 vs 81.25%) and specificity (85.7 vs 57.1%). Solitary {sup 1}H SI had similar results as T{sub 2}w (sensitivity 87.5%, specificity 71.4%). Taking all techniques into account, all PT were correctly diagnosed. (orig.)

  8. Synthesis and antileishmanial activity of new 1-Aryl-1H-Pyrazole-4- carboximidamides derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Mauricio S. dos; Gomes, Adriana O.; Bernardino, Alice M.R.; Souza, Marcos C. de, E-mail: alicerolim@globo.co [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Programa de Pos-Graduacao em Quimica Organica; Khan, Misbahul A. [The Islamia University of Bahawalpur (Pakistan). Chemistry Dept.; Brito, Monique A. de [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Fac. de Farmacia. Lab. de Quimica Medicinal Computacional; Castro, Helena C.; Abreu, Paula A. [Universidade Federal Fluminense (LABioMol/GCM/UFF), Niteroi, RJ (Brazil). Inst. de Biologia. Lab. de Antibioticos, Bioquimica e Modelagem Molecular; Rodrigues, Carlos R. [Universidade Federal do Rio de Janeiro (ModMol/UFRJ), RJ (Brazil). Fac. de Farmacia. Lab. de Modelagem Molecular e QSAR; Leo, Rosa M.M. de; Leon, Leonor L.; Canto-Cavalheiro, Marilene M. [Fundacao Oswaldo Cruz (IOC/FIOCRUZ), Rio de Janeiro, RJ (Brazil). Instituto Oswaldo Cruz. Lab. de Bioquimica de Tripanosomatideos

    2011-07-01

    Chemotherapy for leishmaniasis, diseases caused by protozoa of the genus Leishmania, remains inefficient in several treatments. So there is a need to search for new drugs. In this work, we have synthesized 1-aryl-1H-pyrazole-4-carboximidamides derivatives and evaluated antileishmanial activities in vitro, as well as cytotoxic effects. Structure-activity relationship (SAR) studies were carried out with all the compounds of the series. Compound 2 showed an activity profile that can be improved through medicinal chemistry strategies. (author)

  9. Metabolic phenotyping by 1H-NMR spectroscopy detects lung cancer via a simple blood sample

    OpenAIRE

    Louis,Evelyne; MESOTTEN, Liesbet; Thomeer, Michiel; Vandeurzen, Kurt; Darquennes, Karen; Vanhove, Karolien; Reekmans, Gunter; Adriaensens, Peter

    2013-01-01

    Introduction: Lung cancer is the leading cause of cancer death worldwide. There is an urgent need of effective methods to detect lung cancer. Accumulating evidence shows that the metabolism of cancer cells differs from that of normal cells. Disturbances in biochemical pathways which occur during the development of cancer provoke changes in the metabolic phenotype. Objective: To determine the metabolic phenotype of lung cancer by 1H-NMR spectroscopy. Methods: Fasting venous blood samples of 78...

  10. Metabolic phenotyping of blood plasma by 1H-NMR spectroscopy to detect lung cancer?

    OpenAIRE

    Louis,Evelyne; MESOTTEN, Liesbet; Thomeer, Michiel; Vanhove, Karolien; Vandeurzen, K.; Sadowska, A.; Reekmans, Gunter; Adriaensens, Peter

    2013-01-01

    Introduction. Lung cancer is the leading cause of cancer death worldwide. An effective method which allows to detect lung cancer is urgently needed. Accumulating evidence shows that the metabolism of cancer cells differs from that of normal cells(1). Disturbances in biochemical pathways which occur during the development of cancer provoke changes in the metabolic phenotype(2). Objective. To determine the metabolic phenotype of lung cancer by means of proton nuclear magnetic resonance (1H-...

  11. {sup 1}H-MR-spectroscopic imaging in patients with Alzheimer`s disease; {sup 1}H-MR-spektroskopische Bildgebung bei Patienten mit klinisch gesichertem Morbus Alzheimer

    Energy Technology Data Exchange (ETDEWEB)

    Block, W. [Radiogische Klinik der Univ. Bonn (Germany); Traeber, F. [Radiogische Klinik der Univ. Bonn (Germany); Kuhl, C.K. [Radiogische Klinik der Univ. Bonn (Germany); Fric, M. [Psychiatrische Universitaetsklinik, Bonn (Germany); Keller, E. [Radiogische Klinik der Univ. Bonn (Germany); Lamerichs, R. [Philips Medical Systems, Best (Netherlands); Rink, H. [Radiogische Klinik der Univ. Bonn (Germany); Moeller, H.J. [Psychiatrische Universitaetsklinik, Bonn (Germany); Schild, H.H. [Radiogische Klinik der Univ. Bonn (Germany)

    1995-09-01

    To detect regional differences in accompanying metabolic changes, {sup 1}H-Magnetic Resonance Spectroscopic Imaging was performed in 16 patients with Alzheimer`s disease (AD); the clinical diagnosis was based upon DSM-III-R and NINCDS-ADRDA guidelines. In the hippocampal region metabolic maps of the local distribution of N-acetylaspartate (NAA), choline (Cho), creatine compounds (P(Cr)) and lactate were determined. Ratios of Cho/NAA, (P)Cr/NAA and Cho/(P)Cr calculated from selected hippocampal spectra were compared to those from healthy volunteers (n=17). AD patients demonstrated an increase of Cho/NAA and (P)Cr/NAA ratios caused by increased choline compounds and decreased NAA. These alterations were observed in 11/12 cases in the hippocampal and in 7/12 in the temporo-occipital region. Hippocampal Cho/NAA ratios (0.56{+-}0.19) were significantly elevated compared with controls. The observed elevation of choline compounds in the hippocampus supports the hypothesis that alterations in the cholinergic system play an important role in Alzheimer`s disease. The observed reduction of NAA is due to neuronal degeneration. (orig./MG) [Deutsch] Zur Darstellung von regionalen metabolischen Veraenderungen bei Morbus Alzheimer wurden mit dem Verfahren des {sup 1}H-Magnetic-Resonance-Spectroscopic-Imaging 16 Patienten untersucht, deren Diagnose klinisch entsprechend DSM-III-R- und NINCDS-ADRDA-Kriterien gestellt wurde. In Hoehe des Hippocampus wurden transaxiale ``Metabolitenkarten`` der regionalen Verteilung von N-Acetyl-Aspartat (NAA), cholinhaltiger Verbindungen (Cho), Gesamtkreatin (P(Cr)) und Laktat erstellt. Zur Quantifizierung der Unterschiede zum Normalkollektiv (n=17) wurden die Metabolitenquotienten Cho/NAA, (P)Cr/NAA und Cho/(P)Cr, insbesondere aus der Hippocampusregion, ermittelt. Das Krankheitsbild des M. Alzheimer stellte sich durch eine Erhoehung der Quotienten Cho/NAA und Cho/(P)Cr dar, wobei neben einer Cholinerhoehung die Reduktion des Neurotransmitters NAA

  12. Investigation of Compton profiles of NO and C2H2%NO与C2H2的康普顿轮廓研究

    Institute of Scientific and Technical Information of China (English)

    马永朋; 赵小利; 刘亚伟; 徐龙泉; 康旭; 倪冬冬; 闫帅; 朱林繁; 杨科

    2015-01-01

    The Compton profiles of nitric oxide and acetylene molecules have been determined at an incident photon energy of 20 keV. Compton profile measurements are carried out with the beamline BL15U1 at the Shanghai Synchrotron Radiation Facility (SSRF). A dedicated gas cell is used, in which diffuse scattering is effectively suppressed. By considering that the statistical accuracy of 0.2%at pz ≈0 is achieved, the Compton profiles of NO and C2H2 determined in this paper can serve as the experimental benchmark data. Furthermore, the density functional theory (DFT) and HF calculation for different basis sets are used to calculate the Compton profiles of nitric oxide and acetylene. It is found that the DFT calculations with the diffuse basis sets are closer to the experimental results, indicating that the electronic density distribution of nitric oxide is more diffuse. For acetylene, the HF calculation is of better agreement with the experimental result. To better understand Compton profiles, we have compared them with distributions of electron density by theoretical calculation. There are clear correspondences between them: diffuse distribution is related to the localized profile and complex structure in electron density distribution, which also shows a subtle structure in profile. The present Compton profiles of nitric oxide and acetylene molecules achieved by synchrotron radiation are the most accurate up to now, as far as we know.%基于第三代同步辐射光源,在20 keV的入射X射线能量下测量了NO与C2H2分子的康普顿轮廓.考虑到本次实验结果在pz ≈0附近的统计精度达到了0.2%,本文报道的NO和C2H2的康普顿轮廓可以作为严格检验理论的实验基准.除此之外,还分别采用HF方法及密度泛函方法选用不同的基组计算了NO与C2 H2康普顿轮廓.通过对比实验结果与理论计算,发现对于NO分子,加入弥散函数基组理论计算结果与实验符合更好,说明NO分子基态的电

  13. Temporal genomic evolution of bird sex chromosomes

    DEFF Research Database (Denmark)

    Wang, Zongji; Zhang, Jilin; Yang, Wei;

    2014-01-01

    driving forces of Z chromosome evolution, we analyze here 45 newly available bird genomes and four species' transcriptomes, over their course of recombination loss between the sex chromosomes. RESULTS: We show Z chromosomes in general have a significantly higher substitution rate in introns and synonymous...... evolved very recently. CONCLUSIONS: In conclusion, we uncover that the sequence and expression patterns of Z chromosome genes covary with their ages of becoming Z-linked. In contrast to the mammalian X chromosomes, such patterns are mainly driven by mutational bias and genetic drift in birds, due...... to the opposite sex-biased inheritance of Z vs. X....

  14. Holoprosencephaly due to numeric chromosome abnormalities.

    Science.gov (United States)

    Solomon, Benjamin D; Rosenbaum, Kenneth N; Meck, Jeanne M; Muenke, Maximilian

    2010-02-15

    Holoprosencephaly (HPE) is the most common malformation of the human forebrain. When a clinician identifies a patient with HPE, a routine chromosome analysis is often the first genetic test sent for laboratory analysis in order to assess for a structural or numerical chromosome anomaly. An abnormality of chromosome number is overall the most frequently identified etiology in a patient with HPE. These abnormalities include trisomy 13, trisomy 18, and triploidy, though several others have been reported. Such chromosome number abnormalities are almost universally fatal early in gestation or in infancy. Clinical features of specific chromosome number abnormalities may be recognized by phenotypic manifestations in addition to the HPE. PMID:20104610

  15. Novel insights into mitotic chromosome condensation

    Science.gov (United States)

    Piskadlo, Ewa; Oliveira, Raquel A.

    2016-01-01

    The fidelity of mitosis is essential for life, and successful completion of this process relies on drastic changes in chromosome organization at the onset of nuclear division. The mechanisms that govern chromosome compaction at every cell division cycle are still far from full comprehension, yet recent studies provide novel insights into this problem, challenging classical views on mitotic chromosome assembly. Here, we briefly introduce various models for chromosome assembly and known factors involved in the condensation process (e.g. condensin complexes and topoisomerase II). We will then focus on a few selected studies that have recently brought novel insights into the mysterious way chromosomes are condensed during nuclear division.

  16. 1H MRS study of brain metabolic disorder in patients with chronic liver cirrhosis

    International Nuclear Information System (INIS)

    Objective: To study the metabolic alterations in the brain of patients with chronic liver cirrhosis with 1H magnetic resonance spectroscopy (1H MRS) for better understanding the pathophysiology of chronic hepatic encephalopathy (CHE), which will help us in the diagnosis and treatment of this disease. Methods: STEAM 1H MRS and MRI were performed in 30 patients with chronic liver cirrhosis is and 15 healthy volunteers. The height of resonance peaks of different metabolites was measured and the ratios of the other metabolites to Cr were calculated. The authors also studied the correlation between metabolites and the association between globus pallidum signal intensity and the spectroscopic alterations. Results: In patients with severe cirrhosis (in decompensatory period) or CHE, the mean values of mI/Cr and Cho/Cr ratio were significantly lower than those in healthy volunteers or patients with minor cirrhosis (in compensatory period) (P0.05). There was negative correlation between mI/Cr and Glx-α/Cr(r -0.51, n = 44, P1-weighted images, the globus pallidum signal intensity was significantly higher in patients with severe cirrhosis or CHE. mI/Cr, Cho/Cr and Glx-α/Cr correlated significantly with MRI signal changes respectively. Conclusions: Proton MRS can demonstrate brain metabolic changes in patients with chronic liver cirrhosis in vivo noninvasively, thereby helping interpret the pathophysiology of CHE

  17. Improved analysis of 1H-MR spectra in the presence of mobile lipids.

    Science.gov (United States)

    Auer, D P; Gössl, C; Schirmer, T; Czisch, M

    2001-09-01

    Focal brain lesions can be associated with proton magnetic resonance spectra (1H-MRS)-detectable mobile lipids, reflecting severe tissue degradation and necrosis. However, advanced fitting procedures, such as the LCModel, fail to adequately fit spectra in the presence of lipid resonances. To overcome this, different approaches to generate lipid model spectra were compared using a phantom, real in vivo data, and simulated data. Twenty-six in vivo short-echo time (TE) 1H-MRS from 21 malignant gliomas, four infections, and one ischemia were analyzed to evaluate the performance of the modified LCModel fit. Adding simulated aliphatic resonances at 1.3 and 0.9 ppm improved the overall fitting quality remarkably and allowed good separation of lactate and alanine. Also, a better differentiation of glioblastomas and anaplastic gliomas was achieved. In conclusion, we propose a simple way to efficiently include lipid resonances in the LCModel, allowing a better fit of in vivo short-TE 1H-MRS, and demonstrate the diagnostic potential of quantitative assessment of mobile lipids in brain tumors. PMID:11550257

  18. 1H-MR spectroscopy in anorexia nervosa. Reversible cerebral metabolic changes

    International Nuclear Information System (INIS)

    Purpose: By using localized 1H-MR spectroscopy in the brain of patients with anorexia nervosa we wanted to verify our preliminary results and to look for a reversibility of the metabolic changes under therapy. Methods: In 22 patients and 17 healthy volunteers (11 follow-up examinations) single voxel 1H-MR spectroscopy (TE=50 ms, TM=30 ms, TR=1500 ms, voxel (2 cm)3, acq.: 256) was used in two different localizations (thalamus and parieto-occipital region). The first examination of the patients was performed before therapy, the follow-up examination at the end of therapy. Results: In both regions of the brain we found a statistically significant elevation of the Cho/Cr-ratio in comparison to normal controls. The follow-up examinations revealed reversibility of the metabolic changes under successful therapy. Conclusion: 1H-MR spectroscopy reveals metabolic changes in the brain of patients with anorexia nervosa, which are reversible under successful therapy. These metabolic changes can be conclusively explained using a biochemical model. (orig.)

  19. Effect of biological factors on successful measurements with skeletal-muscle 1H-MRS

    Science.gov (United States)

    Isobe, Tomonori; Okamoto, Yoshikazu; Hirano, Yuji; Ando, Hiroki; Takada, Kenta; Sato, Eisuke; Shinoda, Kazuya; Tadano, Kiichi; Takei, Hideyuki; Kamizawa, Satoshi; Mori, Yutaro; Suzuki, Hiroaki

    2016-01-01

    Background Our purpose in this study was to clarify whether differences in subject group attributes could affect data acquisition in proton magnetic resonance spectroscopy (1H-MRS). Methods Subjects without diabetes mellitus (DM) were divided into two groups (group A, in their 20s; group B, 30–60 years old). Subjects with DM formed group C (30–60 years old). The numbers of subjects were 19, 27, and 22 for group A, B, and C respectively. For all subjects, 1H-MRS measurements were taken of the soleus muscle (SOL) and the anterior tibial muscle (AT). We defined the success of the measurements by the detection of intramyocellular lipids. Moreover, we also measured the full width at half maximum of the water peaks for all subjects. Results The success rate was significantly higher for the AT (100%) than for the SOL (81.6%) (P<0.01). For the SOL, the success rate was 100% in group A, 85.2% in group B, and 77.3% in group C. There was a significant difference (P<0.05) between groups A and B, as well as between groups A and C. In all subjects, there was a significant difference (P<0.01) in the full width at half maximum (Hz) of the water peak between the AT and SOL measurements. Conclusion We conclude that differences in the age and DM history of subjects could affect the probability of successful 1H-MRS data acquisition. PMID:27499626

  20. 1H relaxation enhancement induced by nanoparticles in solutions: Influence of magnetic properties and diffusion

    International Nuclear Information System (INIS)

    Magnetic nanoparticles that induce nuclear relaxation are the most promising materials to enhance the sensitivity in Magnetic Resonance Imaging. In order to provide a comprehensive understanding of the magnetic field dependence of the relaxation enhancement in solutions, Nuclear Magnetic Resonance 1H spin-lattice relaxation for decalin and toluene solutions of various Fe2O3 nanoparticles was investigated. The relaxation experiments were performed in a frequency range of 10 kHz–20 MHz by applying Field Cycling method, and in the temperature range of 257–298 K, using nanoparticles differing in size and shape: spherical – 5 nm diameter, cubic – 6.5 nm diameter, and cubic – 9 nm diameter. The relaxation dispersion data were interpreted in terms of a theory of nuclear relaxation induced by magnetic crystals in solution. The approach was tested with respect to its applicability depending on the magnetic characteristics of the nanocrystals and the time-scale of translational diffusion of the solvent. The role of Curie relaxation and the contributions to the overall 1H spin-lattice relaxation associated with the electronic spin-lattice and spin-spin relaxation was thoroughly discussed. It was demonstrated that the approach leads to consistent results providing information on the magnetic (electronic) properties of the nanocrystals, i.e., effective electron spin and relaxation times. In addition, features of the 1H spin-lattice relaxation resulting from the electronic properties of the crystals and the solvent diffusion were explained

  1. 1H NMR spectroscopic studies establish that heparanase is a retaining glycosidase

    International Nuclear Information System (INIS)

    Highlights: •1H and 13C NMR chemical shifts of fondaparinux were fully assigned by 1D and 2D NMR techniques. •Hydrolysis of fondaparinux by heparanase was monitored by 1H NMR spectroscopy. •Heparanase is established to be a retaining glycosidase. -- Abstract: Heparanase is an endo-β-glucuronidase that cleaves heparan sulfate side chains of proteoglycans in basement membranes and the extracellular matrix (ECM). Heparanase is implicated in several diverse pathological processes associated with ECM degradation such as metastasis, inflammation and angiogenesis and is thus an important target for anti-cancer and anti-inflammatory drug discovery. Heparanase has been classed as belonging to the clan A glycoside hydrolase family 79 based on sequence analysis, secondary structure predictions and mutagenic analysis, and thus it has been inferred that it is a retaining glycosidase. However, there has been no direct experimental evidence to support this conclusion. Herein we describe 1H NMR spectroscopic studies of the hydrolysis of the pentasaccharide substrate fondaparinux by heparanase, and provide conclusive evidence that heparanase hydrolyses its substrate with retention of configuration and is thus established as a retaining glycosidase. Knowledge of the mechanism of hydrolysis may have implications for future design of inhibitors for this important drug target

  2. Anti-Toxoplasma Activity of 2-(Naphthalene-2-γlthiol-1H Indole.

    Directory of Open Access Journals (Sweden)

    Qasem Asgari

    2015-06-01

    Full Text Available This study was undertaken to evaluate the viability, infectivity and immunity of Toxoplasma gondii tachyzoites exposed to 2-(naphthalene-2-ylthio-1H-indole.Tachyzoites of RH strain were incubated in various concentrations of 2-(naphthalene-2-ylthio-1H-indole (25-800 μM for 1.5 hours. Then, they were stained by PI and analyzed by Fluorescence-activated cell sorting (FACS. To evaluate the infectivity, the tachyzoites exposed to the different concentrations of the compound were inoculated to 10 BALB/c mice groups. For Control, parasites exposed to DMSO (0.2% v/v were also intraperitoneally inoculated into two groups of mice. The immunity of the exposed tachyzoites was evaluated by inoculation of the naïve parasite to the survived mice.The LD50 of 2-(naphthalene-2-ylthio-1H-indole was 57 μmol. The longevity of mice was dose dependent. Five mice out of group 400μmol and 3 out of group 800μmol showed immunization to the parasite.Our findings demonstrated the toxoplasmocidal activity of the compound. The presence of a well-organized transporter mechanism for indole compounds within the parasite in conjunction with several effective mechanisms of these compounds on Toxoplasma viability would open a window for production of new drugs and vaccines.

  3. Discriminating binding and positioning of amphiphiles to lipid bilayers by 1H NMR

    International Nuclear Information System (INIS)

    The binding and positioning in lipid bilayers of three well-known drugs--imipramine, nicotine, and caffeine--have been studied using 1H NMR. The membrane model system consisted of 'fast-tumbling' lipid bicelles, in which a bilayered lipid domain, composed of the unsaturated lipid, 1,2-dimyristelaidoyl-sn-glycero-3-phosphocholine (DMLPC) was surrounded by a rim of deuterated detergent-like lipids, consisting of 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC-d22). Binding and immersion depth information was obtained by three experiments. (1) 1H chemical shift perturbations, upon transfer of the amphiphiles from water to a bicelle mixture, were used to estimate regions of the amphiphiles that interact with the membrane. (2) Water contact to resolvable protons was measured through a Nuclear Overhauser Effect (NOE) between water and resolvable drug and lipid resonances. In the case of both lipids and membrane bound drugs, positive NOEs with large cross-relaxation rates were measured for most resonances originating from the membrane hydrophilic region, while negative NOEs were observed predominantly to resonances in the hydrophobic region of the membrane. (3) 1H NMR measurements of oxygen-induced (paramagnetic) spin-lattice relaxation rates, which are known to increase with membrane immersion depth, were used to corroborate conclusions based on chemical shift perturbations and water-ligand NOEs

  4. Theoretical study of an energetic material di-1H-1,3,4-triazole derivatives

    Directory of Open Access Journals (Sweden)

    Hua Zhou

    2014-12-01

    Full Text Available Computations by density functional theory (DFT method are performed on a series of di-1H-1,3,4-triazole derivatives with different substituents and linkages. The heat of formation (HOF is predicted by the designed isodesmic reactions. The predicted results reveal that –N3 and –NN– groups are effective structural units for increasing the HOF values of the di-1H-1,3,4-triazole derivatives. The HOMO–LUMO gap is affected by the substituents and linkage groups. Detonation performance is evaluated using the Kamlet–Jacobs approach based on the calculated density and HOF. The results indicate that –NO2, –NF2, –NH–, –NH–NH– and –NN– groups are helpful for enhancing the detonation properties of di-1H-1,3,4-triazole derivatives. The bond dissociation energy and bond order of the weakest bonds are analyzed to investigate their stability. It is observed that the –CH2–, –CH2–CH2– and –CHCH– groups are effective structural units for improving the stabilities of these derivatives. Considering the detonation performance and the stability, five compounds are screened as the potential candidates for high energy density materials.

  5. Theoretical study of an energetic material di-1H-1,3,4-triazole derivatives

    Institute of Scientific and Technical Information of China (English)

    Hua ZHOU; Zhong-liang MA; Jian-long WANG; Dong WANG

    2014-01-01

    Computations by density functional theory (DFT) method are performed on a series of di-1H-1,3,4-triazole derivatives with different sub-stituents and linkages. The heat of formation (HOF ) is predicted by the designed isodesmic reactions. The predicted results reveal that eN3 and eN]Ne groups are effective structural units for increasing the HOF values of the di-1H-1,3,4-triazole derivatives. The HOMOeLUMO gap is affected by the substituents and linkage groups. Detonation performance is evaluated using the KamleteJacobs approach based on the calculated density and HOF. The results indicate that eNO2, eNF2, eNHe, eNHeNHe and eN]Ne groups are helpful for enhancing the detonation properties of di-1H-1,3,4-triazole derivatives. The bond dissociation energy and bond order of the weakest bonds are analyzed to investigate their stability. It is observed that the eCH2e, eCH2eCH2e and eCH]CHe groups are effective structural units for improving the stabilities of these derivatives. Considering the detonation performance and the stability, five compounds are screened as the potential candidates for high energy density materials.

  6. Fire-related post-traumatic stress disorder: brain 1H-MR spetroscopic findings

    International Nuclear Information System (INIS)

    To investigate the MR imaging and 1H-MR spectroscopic findings of acute fire-related post-traumatic stress disorder (PTSD). Sixteen patients (M:F=10:6; mean age, 16 years) with fire-related PTSD underwent MR imagine and 1H-MR spectroscopy, and for control purposes, the procedures were repeated in eight age-matched normal volunteers. In all patients and controls, the regions of interest where data were acquired at MRS were the basal ganglia (BG), frontal periventricular white matter (FWM), and parietal periventricular white matter (PWM). In all patients with PTSD, MR images appeared normal. In contrast, MRS showed that in the BG, NAA/Cr ratios were significantly lower in patients than in volunteers. This decrease did not, however, show close correlation with the severity of the neuropsychiatric symptoms. In patients, neither NAA/Cr ratios in FWM nor PWM, nor Cho/Cr ratios in all three regions, were significantly different from those in the control group. Decreased NAA/Cr ratios in the BG, as seen at 1H-MRS, might be an early sign of acute fire-related PTSD

  7. Permissivity of the NCI-60 cancer cell lines to oncolytic Vaccinia Virus GLV-1h68

    Directory of Open Access Journals (Sweden)

    Bedognetti Davide

    2011-10-01

    Full Text Available Abstract Background Oncolytic viral therapy represents an alternative therapeutic strategy for the treatment of cancer. We previously described GLV-1h68, a modified Vaccinia Virus with exclusive tropism for tumor cells, and we observed a cell line-specific relationship between the ability of GLV-1h68 to replicate in vitro and its ability to colonize and eliminate tumor in vivo. Methods In the current study we surveyed the in vitro permissivity to GLV-1h68 replication of the NCI-60 panel of cell lines. Selected cell lines were also tested for permissivity to another Vaccinia Virus and a vesicular stomatitis virus (VSV strain. In order to identify correlates of permissity to viral infection, we measured transcriptional profiles of the cell lines prior infection. Results We observed highly heterogeneous permissivity to VACV infection amongst the cell lines. The heterogeneity of permissivity was independent of tissue with the exception of B cell derivation. Cell lines were also tested for permissivity to another Vaccinia Virus and a vesicular stomatitis virus (VSV strain and a significant correlation was found suggesting a common permissive phenotype. While no clear transcriptional pattern could be identified as predictor of permissivity to infection, some associations were observed suggesting multifactorial basis permissivity to viral infection. Conclusions Our findings have implications for the design of oncolytic therapies for cancer and offer insights into the nature of permissivity of tumor cells to viral infection.

  8. Serum metabolic signature of minimal hepatic encephalopathy by (1)H-nuclear magnetic resonance.

    Science.gov (United States)

    Jiménez, Beatriz; Montoliu, Carmina; MacIntyre, David A; Serra, Miguel A; Wassel, Abdallah; Jover, María; Romero-Gomez, Manuel; Rodrigo, Jose M; Pineda-Lucena, Antonio; Felipo, Vicente

    2010-10-01

    Minimal hepatic encephalopathy (MHE) reduces quality of life of cirrhotic patients, predicts overt hepatic encephalopathy, and is associated with poor prognosis. We hypothesized that MHE arises once metabolic alterations derived from the liver reach a particular threshold. Our aim was to assess whether metabolic profiling of serum samples by high-field (1)H-nuclear magnetic resonance spectroscopy ((1)H NMR) and subsequent multivariate analyses would be useful to characterize metabolic perturbations associated with MHE and to identify potential metabolic biomarkers. Metabolic serum profiles from controls (n = 69) and cirrhotic patients without MHE (n = 62) and with MHE (n = 39) were acquired using high field NMR. Supervised modeling of the data provided perfect discrimination between healthy controls and cirrhotic patients and allowed the generation of a predictive model displaying strong discrimination between patients with and without MHE (R(2)Y = 0.68, Q(2)Y = 0.63). MHE patients displayed increased serum concentrations of glucose, lactate, methionine, TMAO, and glycerol, as well as decreased levels of choline, branch amino acids, alanine, glycine, acetoacetate, NAC, and lipid moieties. Serum metabonomics by (1)H NMR offers a useful approach for characterizing underlying metabolic differences between patients with and without MHE. This procedure shows great potential as a diagnostic tool of MHE as it objectively reflects measurable biochemical differences between the patient groups and may facilitate monitoring of both disease progression and effects of therapeutic treatments. PMID:20690770

  9. 15N-{1H} NOE experiment at high magnetic field strengths

    International Nuclear Information System (INIS)

    The heteronuclear 15N-{1H} NOE values are typically determined by taking the ratio of 15N signal intensities recorded in the presence and absence of 1H saturation prior to evolution of 15N magnetization. Since the intensity ratio of two independent experiments is taken, complete recovery of 15N magnetization during the scan repetition delay is critical to obtain reliable NOE values. Because it may not be practical to wait for the complete recovery of magnetization at high magnetic fields, Solomon equations may be used to correct measured NOE values. Here, based on experiments and simulations, we show that since the cross-correlation between 1H-15N dipole and 15N chemical shift anisotropy becomes significant at high fields for small or deuterated proteins, measured NOE values can not be accurately corrected based on the Solomon equations. We also discuss ranges of rotational correlation times and proton spin-flip rate, in which the NOE values can be corrected by the equations

  10. Metabolic alterations in Parkinson's disease after thalamotomy, as revealed by 1H MR spectroscopy

    International Nuclear Information System (INIS)

    To determine, using proton magnetic resonance spectroscopy (1H MRS) whether thalamotomy in patients with Parkinson's disease gives rise to significant changes in regional brain metabolism. Fifteen patients each underwent stereotactic thalamotomy for the control of medically refractory parkinsonian tremor. Single-voxel 1H MRS was performed on a 1.5T unit using a STEAM sequence (TR/TM/TE, 2000/14/20 msec), and spectra were obtained from substantia nigra, thalamus and putamen areas, with volumes of interest of 7-8ml, before and after thalamotomy. NAA/Cho, NAA/Cr and Cho/Cr metabolite ratios were calculated from relative peak area measurements, and any changes were recorded and assessed. In the substantia nigra and thalamus, NAA/Cho ratios were generally low. In the substantia nigra of 80% of patients (12/15) who showed clinical improvement, decreased NAA/Cho ratios were observed in selected voxels after thalamic surgery (p1H MRS may help lead to a better understanding of the pathophysiologic processes occurring in those with Parkinson's disease

  11. {sup 1}H NMR spectroscopic studies establish that heparanase is a retaining glycosidase

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Jennifer C., E-mail: jennifer.wilson@griffith.edu.au [Institute for Glycomics, Griffith University Gold Coast Campus, QLD 4222 (Australia); Laloo, Andrew Elohim [School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane, QLD 4072 (Australia); Singh, Sanjesh [Institute for Glycomics, Griffith University Gold Coast Campus, QLD 4222 (Australia); Ferro, Vito, E-mail: v.ferro@uq.edu.au [School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane, QLD 4072 (Australia)

    2014-01-03

    Highlights: •{sup 1}H and {sup 13}C NMR chemical shifts of fondaparinux were fully assigned by 1D and 2D NMR techniques. •Hydrolysis of fondaparinux by heparanase was monitored by {sup 1}H NMR spectroscopy. •Heparanase is established to be a retaining glycosidase. -- Abstract: Heparanase is an endo-β-glucuronidase that cleaves heparan sulfate side chains of proteoglycans in basement membranes and the extracellular matrix (ECM). Heparanase is implicated in several diverse pathological processes associated with ECM degradation such as metastasis, inflammation and angiogenesis and is thus an important target for anti-cancer and anti-inflammatory drug discovery. Heparanase has been classed as belonging to the clan A glycoside hydrolase family 79 based on sequence analysis, secondary structure predictions and mutagenic analysis, and thus it has been inferred that it is a retaining glycosidase. However, there has been no direct experimental evidence to support this conclusion. Herein we describe {sup 1}H NMR spectroscopic studies of the hydrolysis of the pentasaccharide substrate fondaparinux by heparanase, and provide conclusive evidence that heparanase hydrolyses its substrate with retention of configuration and is thus established as a retaining glycosidase. Knowledge of the mechanism of hydrolysis may have implications for future design of inhibitors for this important drug target.

  12. Fire-related post-traumatic stress disorder: brain {sup 1}H-MR spetroscopic findings

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Myung Kwan; Suh, Chang Hae; Kim, Hyung Jin; Kim, Sung Tae; Lee, Jeong Seop; Kang, Min Hee [Inha University Hospital College of Medicine, Incheon (Korea, Republic of); Kim, Ji Hye [Gachon Medical School, Incheon (Korea, Republic of); Lee, Jung Hee [National Institute of Neurologic Disorders and Stroke, Bethesda (United States)

    2003-06-01

    To investigate the MR imaging and {sup 1}H-MR spectroscopic findings of acute fire-related post-traumatic stress disorder (PTSD). Sixteen patients (M:F=10:6; mean age, 16 years) with fire-related PTSD underwent MR imagine and {sup 1}H-MR spectroscopy, and for control purposes, the procedures were repeated in eight age-matched normal volunteers. In all patients and controls, the regions of interest where data were acquired at MRS were the basal ganglia (BG), frontal periventricular white matter (FWM), and parietal periventricular white matter (PWM). In all patients with PTSD, MR images appeared normal. In contrast, MRS showed that in the BG, NAA/Cr ratios were significantly lower in patients than in volunteers. This decrease did not, however, show close correlation with the severity of the neuropsychiatric symptoms. In patients, neither NAA/Cr ratios in FWM nor PWM, nor Cho/Cr ratios in all three regions, were significantly different from those in the control group. Decreased NAA/Cr ratios in the BG, as seen at {sup 1}H-MRS, might be an early sign of acute fire-related PTSD.

  13. An efficient spectra processing method for metabolite identification from 1H-NMR metabolomics data.

    Science.gov (United States)

    Jacob, Daniel; Deborde, Catherine; Moing, Annick

    2013-06-01

    The spectra processing step is crucial in metabolomics approaches, especially for proton NMR metabolomics profiling. During this step, noise reduction, baseline correction, peak alignment and reduction of the 1D (1)H-NMR spectral data are required in order to allow biological information to be highlighted through further statistical analyses. Above all, data reduction (binning or bucketing) strongly impacts subsequent statistical data analysis and potential biomarker discovery. Here, we propose an efficient spectra processing method which also provides helpful support for compound identification using a new data reduction algorithm that produces relevant variables, called buckets. These buckets are the result of the extraction of all relevant peaks contained in the complex mixture spectra, rid of any non-significant signal. Taking advantage of the concentration variability of each compound in a series of samples and based on significant correlations that link these buckets together into clusters, the method further proposes automatic assignment of metabolites by matching these clusters with the spectra of reference compounds from the Human Metabolome Database or a home-made database. This new method is applied to a set of simulated (1)H-NMR spectra to determine the effect of some processing parameters and, as a proof of concept, to a tomato (1)H-NMR dataset to test its ability to recover the fruit extract compositions. The implementation code for both clustering and matching steps is available upon request to the corresponding author. PMID:23525538

  14. Permissivity of the NCI-60 cancer cell lines to oncolytic Vaccinia Virus GLV-1h68

    International Nuclear Information System (INIS)

    Oncolytic viral therapy represents an alternative therapeutic strategy for the treatment of cancer. We previously described GLV-1h68, a modified Vaccinia Virus with exclusive tropism for tumor cells, and we observed a cell line-specific relationship between the ability of GLV-1h68 to replicate in vitro and its ability to colonize and eliminate tumor in vivo. In the current study we surveyed the in vitro permissivity to GLV-1h68 replication of the NCI-60 panel of cell lines. Selected cell lines were also tested for permissivity to another Vaccinia Virus and a vesicular stomatitis virus (VSV) strain. In order to identify correlates of permissity to viral infection, we measured transcriptional profiles of the cell lines prior infection. We observed highly heterogeneous permissivity to VACV infection amongst the cell lines. The heterogeneity of permissivity was independent of tissue with the exception of B cell derivation. Cell lines were also tested for permissivity to another Vaccinia Virus and a vesicular stomatitis virus (VSV) strain and a significant correlation was found suggesting a common permissive phenotype. While no clear transcriptional pattern could be identified as predictor of permissivity to infection, some associations were observed suggesting multifactorial basis permissivity to viral infection. Our findings have implications for the design of oncolytic therapies for cancer and offer insights into the nature of permissivity of tumor cells to viral infection

  15. Physical and Structural Characterization of Imidazolium-Based Organic-Inorganic Hybrid: (C3N2H5)2[CoCl4].

    Science.gov (United States)

    Piecha-Bisiorek, Anna; Bieńko, Alina; Jakubas, Ryszard; Boča, Roman; Weselski, Marek; Kinzhybalo, Vasyl; Pietraszko, Adam; Wojciechowska, Martyna; Medycki, Wojciech; Kruk, Danuta

    2016-03-31

    (C3N2H5)2[CoCl4] (ICC) was characterized in a wide temperature range by the single-crystal X-ray diffraction method. Differential scanning calorimetry revealed two structural phase transitions: continuous at 245.5 K (from phase I to II) and a discontinuous one at 234/237 K (cooling/heating) (II → III). ICC adopts monoclinic space groups C2/c and P21/c in phase (I) and (III), respectively. The intermediate phase (II) appears to be incommensurately modulated. Dynamic properties of polycrystalline ICC were studied by means of dielectric spectroscopy and proton magnetic resonance ((1)H NMR). The presence of a low frequency dielectric relaxation process in phase III reflects libration motion of the imidazolium cations. The temperature dependence of the (1)H spin-lattice relaxation time indicated two motional processes with similar activation energies that are by about an order of magnitude smaller than the activation energy obtained from dielectric studies. There are no abrupt changes in the (1)H relaxation time at the phase transitions indicating that the dynamics of the imidazolium rings gradually varies with temperature; that is, it does not change suddenly at the phase transition. Negative values of the Weiss constant and the intermolecular exchange parameter were obtained, confirming the presence of a weak antiferromagnetic interaction between the nearest cobalt centers. Moreover, the magnitude of zero field splitting was determined. The AC susceptibility measurements show that a slow magnetic relaxation is induced by small external magnetic field. PMID:26959833

  16. Transient Microgeographic Clines during B Chromosome Invasion.

    Science.gov (United States)

    Camacho, Juan Pedro M; Shaw, Michael W; Cabrero, Josefa; Bakkali, Mohammed; Ruíz-Estévez, Mercedes; Ruíz-Ruano, Francisco J; Martín-Blázquez, Rubén; López-León, María Dolores

    2015-11-01

    The near-neutral model of B chromosome evolution predicts that the invasion of a new population should last some tens of generations, but the details on how it proceeds in real populations are mostly unknown. Trying to fill this gap, we analyze here a natural population of the grasshopper Eyprepocnemis plorans at three time points during the last 35 years. Our results show that B chromosome frequency increased significantly during this period and that a cline observed in 1992 had disappeared in 2012 once B chromosome frequency reached an upper limit at all sites sampled. This indicates that, during B chromosome invasion, transient clines for B chromosome frequency are formed at the invasion front on a microgeographic scale. Computer simulation experiments showed that the pattern of change observed for genotypic frequencies is consistent with the existence of B chromosome drive through females and selection against individuals with a high number of B chromosomes. PMID:26655780

  17. Mitosis. Microtubule detyrosination guides chromosomes during mitosis.

    Science.gov (United States)

    Barisic, Marin; Silva e Sousa, Ricardo; Tripathy, Suvranta K; Magiera, Maria M; Zaytsev, Anatoly V; Pereira, Ana L; Janke, Carsten; Grishchuk, Ekaterina L; Maiato, Helder

    2015-05-15

    Before chromosomes segregate into daughter cells, they align at the mitotic spindle equator, a process known as chromosome congression. Centromere-associated protein E (CENP-E)/Kinesin-7 is a microtubule plus-end-directed kinetochore motor required for congression of pole-proximal chromosomes. Because the plus-ends of many astral microtubules in the spindle point to the cell cortex, it remains unknown how CENP-E guides pole-proximal chromosomes specifically toward the equator. We found that congression of pole-proximal chromosomes depended on specific posttranslational detyrosination of spindle microtubules that point to the equator. In vitro reconstitution experiments demonstrated that CENP-E-dependent transport was strongly enhanced on detyrosinated microtubules. Blocking tubulin tyrosination in cells caused ubiquitous detyrosination of spindle microtubules, and CENP-E transported chromosomes away from spindle poles in random directions. Thus, CENP-E-driven chromosome congression is guided by microtubule detyrosination. PMID:25908662

  18. CHROMOSOMAL ABNORMALITIES IN PATIENTS WITH RECURRENT MISCARRIAGE

    Directory of Open Access Journals (Sweden)

    Daniela Mierla

    2012-06-01

    Full Text Available Chromosomal abnormalities are involved in the etiology of recurrent spontaneous pregnancy loss and sub-fertility. The purpose of this study was to determine the frequency and contribution of chromosomal abnormalities in recurrent miscarriages. The results obtained and literature review are helpful in understanding the importance of cytogenetics analysis of female infertility. To investigate the distribution of chromosomal abnormalities in the Romanian population with recurrent miscarriage, karyotype analysis by G-banding was performed from peripheral blood in 967 women infertility. Results: Chromosomal abnormalities were found to 79 women (8,17%. The percentage of chromosomal abnormalities in the studied population correlates with the data in the literature. Chromosomal abnormalities could play the important role in etiology of infertility and are more frequently detected in this group of patients compared to general population. In the infertile couples balanced chromosomal abnormalities are the main cause of spontaneous abortions.

  19. [The evolution of human Y chromosome].

    Science.gov (United States)

    Yang, Xianrong; Wang, Meiqin; Li, Shaohua

    2014-09-01

    The human Y chromosome is always intriguing for researchers, because of its role in gender determination and its unusual evolutionary history. The Y chromosome evolves from an autosome, and its evolution has been characterized by massive gene decay. The lack of recombination and protein-coding genes and high content of repetitive sequences have hindered the progress in our understanding of the Y chromosome biology. Recently, with the advances in comparative genomics and sequencing technology, the research on Y chromosome has become a hotspot, with an intensified debate about Y-chromosome final destination resulting from degeneration. This review focuses on the structure, inheritance characteristics, gene content, and the origin and evolution of Y chromosome. We also discuss the long-term destiny of Y chromosome. PMID:25252301

  20. Dynamics of chromosome segregation in Escherichia coli

    DEFF Research Database (Denmark)

    Nielsen, Henrik Jørck

    2007-01-01

    Since the 1960’es the conformation and segregation of the chromosome in Escherichia coli has been a subject of interest for many scientists. However, after 40 years of research, we still know incredibly little about how the chromosome is organized inside the cell, how it manages to duplicate this...... and reliable method enabled us to start the analysis on the distribution of various chromosomal loci inside slowly growing cells. With the actual counting and measuring no longer being any problem we could easily analyze 14 loci distributed on the E.coli chromosome. More than 15.000 cells were...... on the P1 par system. Using the new system, which is based on the pMT1 par system from Yersenia pestis, we labeled loci on opposite sides of the E.coli chromosome simultaneously and were able to show that the E.coli chromosome is organized with one chromosomal arm in each cell half. This astounding...