No oxygen isotope exchange between water and APS-sulfate at surface temperature: Evidence from quantum chemical modeling and triple-oxygen isotope experiments

Geochimica et Cosmochimica Acta

Volumn 95, Issue , 2012, Pages 106-118

  Kohl, Issaku E ^a   Asatryan, Rubik ^b   Bao, Huiming ^a  

^a LOUISIANA STATE UNIVERSITY   (United States)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FLUORESCENCE SPECTROSCOPY; GAUSSIAN METHOD; LABORATORY METHOD; NUMERICAL MODEL; OXIDATION; OXYGEN ISOTOPE; SULFATE; SURFACE TEMPERATURE;

EID: 84865450246     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2012.07.018     Document Type: Article

References (37)

1. Akagi J.M., Campbell L.L. Studies on the thermophilic sulfate-reducing bacteria III. Adenosine triphosphate-sulfurylase of Clostridium nigrificans and Desulfovibrio desulfuricans. J. Bacteriol. 1962, 84:1194-1201.
2. Akola J., Jones R.O. Calculation and prediction of molecular structures and reaction paths. SIDE 2003, 1:9.
3. Alhambra C., Wu Li, Zhang Z.-Y., Gao J. Walden-inversion-enforced transition-state stabilization in a protein tyrosine phosphatase. J. Am. Chem. Soc. 1998, 120:3858.
4. Asatryan R. Molecular hydrogen assisted transport of H-atoms. Chem. Phys. Lett. 2010, 498:263-269.
5. Asatryan R., Bozzelli J.W. Formation of Criegee intermediate in low temperature oxidation of dimethyl sulfoxide. Phys. Chem. 2008, 10:1769-1780.
6. Bao H. Purifying barite for oxygen isotope measurement by dissolution and reprecipitation in a chelating solution. Anal. Chem. 2006, 78:304-309.
7. 17O. Anal. Chem. 2000, 72:4029-4032.
8. Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98:5648.
9. Betts R., Voss R. The kinetics of oxygen exchange between the sulfite ion and water. Can. J. Geochem. 1970, 48:2035-2041.
10. 3- anions do not exist. J. Phys. Chem. 1994, 98:2298-2300.
11. Boldyrev A.I., Gutowski M., Simons J. Small multiply charged anions as building blocks in chemistry. Acc. Chem. Res. 1996, 29:497-502.
12. Brunner B., Bernasconi S.M. A revised isotope fractionation model for dissimilatory sulfate reduction in sulfate reducing bacteria. Geochim. Cosmochim. Acta 2005, 69:4759-4771.
13. Brunner B., Bernasconi S.M., Kleikemper J., Schroth M.H. A model for oxygen and sulfur isotope fractionation in sulfate during bacterial sulfate reduction processes. Geochim. Cosmochim. Acta 2005, 69:4773-4904.
14. Farquhar J., Canfield D.E., Masterson A., Bao H., Jonston D. Sulfur and oxygen isotope study of sulfate reduction in experiments with natural populations from Faellestrand, Denmark. Geochim. Cosmochim. Acta 2008, 72:2805-2821.
15. Fritz P., Basharmal G.M., Drimmie R.J., Ibsen J., Qureshi R.M. Oxygen isotope exchange between sulfate and water during bacterial reduction of sulfate. Chem. Geol. (Isotope Geosci. Sect.) 1989, 79:99-105.
16. Frisch M.J.T., et al. Revision D.01 2004, Gaussian Inc., Wallingford, CT.
17. Glendening E.D., Reed A.E., Carpenter J.E., Weinhold F. NBO Version 3.1. TCI 1998, University of Wisconsin, Madison.
18. Gonzalez C., Schlegel H.B. An improved algorithm for reaction path following. J. Phys. Chem. 1989, 90:2154-2161.
19. Hansia P., Guruprasad N., Vishveshwara S. Ab initio studies on the tri- and diphosphate fragments of adenosine triphosphate. Biophys. Chem. 2006, 119:127-136.
20. 2-), and water as studied by oxygen-17 nuclear magnetic resonance spectroscopy. Inorg. Chem. 2003, 42:1884-1894.
21. 2- fictitious?. Z. Anorg. Allg. Chem. 1992, 616:101-104.
22. Lalor D.J., Schnyder T., Saridakis V., Pillof D.E., Dong A., Tang H., Leyh T.S., Pai E.F. Structural and functional analysis of truncated form of Saccharomyces cereviiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity. PEDS 2003, 16:1071-1079.
23. Lee C., Yang W., Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37:785-789.
24. Lim C.K., Peters T.J. Isocratic reversed-phase high-performance liquid chromatography of ribonucleotides, deoxynucleotides, cyclic nucleotides and deoxycylic nucleotides. J. Chrom. 1989, 461:259-266.
25. Lowe G. Mechanisms of sulfate activation and transfer. Phil. Trans. R. Soc. Lond. B 1991, 332:141-148.
26. Rodiguez-Lopez J.N., Fenoll L.G., Penalver M.J., Garcia-Ruiz P.A., Varon R., Martinez-Ortiz F., Garcia-Canovas F., Tudela J. Tyrosinase action on monophenols: evidence for direct enzymatic release of o-diphenol. Biochim. Biophys. Acta 2001, 1548:238-256.
27. Schmutz D., Brunold C. Rapid and simple measurement of ATP-sulfurylase activity in crude plant extracts using an ATP meter for bioluminescence determination. Anal. Biochem. 1982, 121:151-155.
28. Shen Y., Buick R. The antiquity of microbial sulfate reduction. Earth Sci. Rev. 2003, 64:243-272.
29. Turchyn A.V., Bruchert V., Lyons T.W., Engel G.S., Balci N., Schrag D.P., Brunner B. Kinetic oxygen isotope effects during dissimlatory sulfate reduction: a combined theoretical and experimental approach. Geochim. Cosmochim. Acta 2010, 74:2011-2024.
30. Uchimaru T., Kawahara S., Tsuzuki S., Matsumura K., Taira K. Solution-phase energy profiles for trigonal bipyramidal species postulated as intermediates for the hydrolysis of methyl ethylene phosphate. J. Mol. Struct. (THEOCHEM) 1999, 469:215-221.
31. Ullrich T.C., Blaesse M., Huber R. Crystal structure of ATP sulfurylase from Saccharomyces cerevisiae, a key enzyme in sulfate activation. EMBO J. 2001, 20:316-329.
32. Valley J.W., Kitchen N., Kohn M.J., Niendorf C.R., Spicuzza M.J. UWG-2, a garnet standard for oxygen isotope ratios: Strategies for high precision and accuracy with laser heating. Geochim. Cosmochim. Acta 1995, 59:5223-5231.
33. Widdel F. Microbiology and ecology of sulfate- and sulfur-reducing bacteria. Biology of Anaerobic Organisms 1988, 469-585. Wiley, New York. A.J.B. Zehnder (Ed.).
34. Wolfenden R., Yuan Y. Monoalkyl sulfates as alkylating agents in water, alkylsulfatase rate enhancements, and the "energy-rich" nature of sulfate half-esters. PNAS 2007, 104:83-86.
35. Wong M., Frisch M., Wiberg K. Solvent effects 1. The mediation of electrostatic effects by solvents. J. Am. Chem. Soc. 1991, 113:4476-4482.
36. Wortmann U., Chernyavsky B., Bernasconi S., Brunner B., Bottcher M., Swart P. Oxygen isotope biogeochemistry of pore water sulfate in the deep biosphere: dominance of isotope exchange reactions with ambient water during microbial sulfate reduction (ODP Site 1130). Geochim. Cosmochim. Acta 2007, 71:4221-4232.
37. Zeebe R.E. A new value for the stable oxygen isotope fractionation between dissolved sulfate ion and water. Geochim. Cosmochim. Acta 2010, 74:818-828.