@article {ISI:000244896900002,
	title = {Sulfur K-edge XAS as a probe of sulfur-centered radical intermediates.},
	journal = {J. Am. Chem. Soc.},
	volume = {129},
	number = {11},
	year = {2007},
	month = {mar},
	pages = {3034{\textendash}5},
	abstract = {Sulfur K-edge XAS is used in the identification and characterization of sulfur based radicals obtained from UV irradiated glutathione. Ground state and time-dependent DFT calculations are used to identify thiyl (RS center dot) and perthiyl (RSS center dot) radical species.},
	keywords = {DFT, Free Radicals, Free Radicals: analysis, Free Radicals: chemistry, GLUTATHIONE, Glutathione: chemistry, Oxidation-Reduction, PHOTOCHEMISTRY, SPECTROMETRY, SPECTROPHOTOMETRY, Sulfhydryl Compounds, Sulfhydryl Compounds: chemistry, SULFUR, sulfur redox, Sulfur: chemistry, ULTRAVIOLET, X-Ray Emission, X-Ray Emission: methods, XAS},
	issn = {0002-7863},
	doi = {10.1021/ja0676760},
	url = {http://www.ncbi.nlm.nih.gov/pubmed/17319664},
	author = {Martin-Diaconescu, Vlad and Kennepohl, Pierre}
}
@article {ISI:000227764700020,
	title = {Spectroscopy of non-heme iron thiolate complexes: insight into the electronic structure of the low-spin active site of nitrile hydratase.},
	journal = {Inorg. Chem.},
	volume = {44},
	number = {6},
	year = {2005},
	month = {mar},
	pages = {1826{\textendash}36},
	abstract = {Detailed spectroscopic and computational studies of the low-spin iron complexes [Fe(III)(S2(Me2)N3 (Pr,Pr))(N3)] (1) and [Fe(III)(S2(Me2)N3 (Pr,Pr))]1+ (2) were performed to investigate the unique electronic features of these species and their relation to the low-spin ferric active sites of nitrile hydratases. Low-temperature UV/vis/NIR and MCD spectra of 1 and 2 reflect electronic structures that are dominated by antibonding interactions of the Fe 3d manifold and the equatorial thiolate S 3p orbitals. The six-coordinate complex 1 exhibits a low-energy S(pi) {\textendash}> Fe 3d(xy) (approximately 13,000 cm(-1)) charge-transfer transition that results predominantly from the low energy of the singly occupied Fe 3d(xy) orbital, due to pure pi interactions between this acceptor orbital and both thiolate donor ligands in the equatorial plane. The 3d(pi) {\textendash}> 3d(sigma) ligand-field transitions in this species occur at higher energies (>15,000 cm(-1)), reflecting its near-octahedral symmetry. The Fe 3d(xz,yz) {\textendash}> Fe 3d(xy) (d(pi) {\textendash}> d(pi)) transition occurs in the near-IR and probes the Fe(III)-S pi-donor bond; this transition reveals vibronic structure that reflects the strength of this bond (nu(e) approximately 340 cm(-1)). In contrast, the ligand-field transitions of the five-coordinate complex 2 are generally at low energy, and the S(pi) {\textendash}> Fe charge-transfer transitions occur at much higher energies relative to those in 1. This reflects changes in thiolate bonding in the equatorial plane involving the Fe 3d(xy) and Fe 3d(x2-y2) orbitals. The spectroscopic data lead to a simple bonding model that focuses on the sigma and pi interactions between the ferric ion and the equatorial thiolate ligands, which depend on the S-Fe-S bond angle in each of the complexes. These electronic descriptions provide insight into the unusual S = 1/2 ground spin state of these complexes: the orientation of the thiolate ligands in these complexes restricts their pi-donor interactions to the equatorial plane and enforces a low-spin state. These anisotropic orbital considerations provide some intriguing insights into the possible electronic interactions at the active site of nitrile hydratases and form the foundation for further studies into these low-spin ferric enzymes.},
	keywords = {BINDING SITES, Computational Biology, ELECTROCHEMISTRY, Ferric Compounds, Ferric Compounds: chemical synthesis, Ferric Compounds: chemistry, Hydro-Lyases, Hydro-Lyases: chemistry, iron, Iron: chemistry, models, MOLECULAR, Molecular Conformation, molecular structure, PhD, SPECTROPHOTOMETRY, Sulfhydryl Compounds, Sulfhydryl Compounds: chemistry},
	issn = {0020-1669},
	doi = {10.1021/ic0487068},
	url = {http://www.ncbi.nlm.nih.gov/pubmed/15762709},
	author = {Kennepohl, Pierre and Neese, Frank and Schweitzer, Dirk and Jackson, Henry L and Kovacs, Julie A and Solomon, Edward I}
}
@article {7296,
	title = {A NEW CONTINUOUS HYDRIDE GENERATOR FOR THE DETERMINATION OF ARSENIC, ANTIMONY AND TIN BY HYDRIDE GENERATION ATOMIC-ABSORPTION SPECTROMETRY},
	journal = {Analytica Chimica Acta},
	volume = {258},
	number = {2},
	year = {1992},
	note = {ISI Document Delivery No.: HK842Times Cited: 61Cited Reference Count: 24},
	month = {Mar},
	pages = {307-315},
	type = {Article},
	abstract = {A new continuous hydride generator is described. Its characteristics are compared with a conventional hydride generator for the determination of arsenic, antimony and tin by using flame atomic absorption spectrometry. This simple hydride generator combines hydride production and gas-liquid separation in one unit, obviating the use of a separate mixing/reaction coil and gas-liquid separator. Radioactive tracer studies show that a hydride generation efficiency of over 95\% is achieved with the new hydride generator and that approximately 90\% of monomethylarsonic acid (MMA) is converted to its hydride (methylarsine) within the first 10 s of the hydride generation reaction. Compared to a conventional hydride generator, an improved signal-to-noise ratio is achieved and comparable or less interference from transition metal ions is observed. Cysteine (1\% in the sample solution) is effective in reducing interferences during the hydride generation processes. In the presence of cysteine, 10-1000 fold higher amounts of Ni2+, Co2+ and Cu2+ are tolerated in the determination of arsenic, antimony and tin. Cysteine also enhances the signals of arsenic, antimony and tin by 60, 200 and 40\%, respectively. Reaction conditions were optimized by using both the simplex optimization method and one-factor-at-a-time method and results are in good agreement.},
	keywords = {AMOUNTS, ANTIMONY, arsenic, ATOMIC ABSORPTION SPECTROMETRY, EMISSION-SPECTROMETRY, GERMANIUM, HYDRIDE GENERATION, INTERFERENCE REDUCTION, L-CYSTINE, mercury, selenium, separator, SPECTROPHOTOMETRY, SPECTROSCOPY, TIN, TRACE},
	isbn = {0003-2670},
	url = {<Go to ISI>://A1992HK84200014},
	author = {Le, X. C. and Cullen, W. R. and Reimer, K. J. and Brindle, I. D.}
}
