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A new quick-scanning X-ray absorption fine-structure (QXAFS) system has been established on beamline 1W1B at the Beijing Synchrotron Radiation Facility. As an independent device, the QXAFS system can be employed by other beamlines equipped with a double-crystal monochromator to carry out quick energy scans and data acquisition. Both continuous-scan and trapezoidal-scan modes are available in this system to satisfy the time scale from subsecond (in the X-ray absorption near-edge structure region) to 1 min. Here, the trapezoidal-scan method is presented as being complementary to the continuous-scan method, in order to maintain high energy resolution and good signal-to-noise ratio. The system is demonstrated to be very reliable and has been combined with in situ cells to carry out time-resolved XAFS studies. [ABSTRACT FROM AUTHOR]

In combination with a single-crystal diamond anvil cell (DAC), a polycapillary half-lens (PHL) re-focusing optics has been used to perform high-pressure extended X-ray absorption fine-structure measurements. It is found that a large divergent X-ray beam induced by the PHL leads the Bragg glitches from single-crystal diamond to be broadened significantly and the intensity of the glitches to be reduced strongly so that most of the DAC glitches are efficiently suppressed. The remaining glitches can be easily removed by rotating the DAC by a few degrees with respect to the X-ray beam. Accurate X-ray absorption fine-structure (XAFS) spectra of polycrystalline Ge powder with a glitch-free energy range from −200 to 800 eV relative to the Ge absorption edge are obtained using this method at high pressures up to 23.7 GPa, demonstrating the capability of PHL optics in eliminating the DAC glitches for high-pressure XAFS experiments. This approach brings new possibilities to perform XAFS measurements using a DAC up to ultrahigh pressures. [ABSTRACT FROM AUTHOR]

Abstract: Microbe–mineral interactions play an important role in affecting geochemical transformations of heavy metals in the soil environment. The formation of metal sulfide, which is mediated by sulfate-reducing bacteria (SRB) through contributing to sulfate reduction is an important pathway for heavy metal stabilization in anoxic soil. In oxic rice rhizospheres, there are abundant sulfur oxidizing bacteria (SOB) which can enhance sulfur oxidation and hence the availability of heavy metals, resulting in the uptake of such metals by the plant and a potential risk to human health. In this study, the potential existence of SRB in oxic rice rhizospheres, their contribution to sulfate reduction, and potential to reduce the availability of heavy metal was investigated. PCR-DGGE fingerprinting and real-time PCR results showed increasing numbers of SRB with Pb addition, which corresponded with increases in soil pH and reduction in Eh, suggesting the enhancement of sulfur reduction and SRB activity. Sulfur K-edge XANES, which characterized sulfur speciation in situ, revealed reduced states of sulfur. The SRB mediated the sulfate reduction and contributed to the formation of reduced sulfur which interacted with Pb, leading to the formation of stable metal sulfide and reduction of Pb availability. In return, acclimated SRB populations developed in Pb-polluted conditions. Hence stabilization of reduced sulfur by Pb enhanced the activity of SRB and sulfate reduction in rice rhizosphere. [Copyright &y& Elsevier]

Abstract: Reactive adsorption desulfurization (RADS) of diesel oil was conducted over a Ni/ZnO adsorbent; the transfer of sulfur species in the RADS process was investigated by the sulfur K-edge X-ray absorption near-edge structure (XANES) and X-ray diffraction (XRD). The results indicted that the organic sulfur compounds in the diesel oil are first decomposed on surface Ni of Ni/ZnO to form Ni3S2, followed by the reduction of Ni3S2 to form H2S, and then H2S is stored in the adsorbent accompanied by the conversion of ZnO into ZnS. [Copyright &y& Elsevier]

Abstract: Acutolysin-C, a snake-venom zinc metalloproteinase, displays a distinct pH-dependent proteolytic activity, which has been tentatively assigned to a structural change of the zinc-containing catalytic center. In this work we compare X-ray absorption near-edge structure (XANES) experimental spectra at the Zn K-edge and theoretical calculations of solutions at different pH values. The experimental data show clear differences confirmed by a best fit using the MXAN procedure. The results show that, when pH decreases from pH 8.0 to pH 3.0, the zinc-coordinating catalytic water molecule moves far from the Glu143 residue that is considered to play an essential role in the proteolytic process. Data suggests that this is the possible mechanism that deactivates the metalloproteinase. [Copyright &y& Elsevier]

Abstract: Peptide deformylase (PDF, EC 3.5.1.27) is essential for the normal growth of eubacterium but not for mammalians. Recently, PDF has been studied as a target for new antibiotics. In this paper, X-ray absorption spectroscopy was employed to determine the local structure around the zinc ion of PDF from Leptospira Interrogans in dry powder, because it is very difficult to obtain the crystallized sample of LiPDF. We performed X-ray absorption near edge structure (XANES) calculation and reconstructed successfully the local geometry of the active center, and the results from calculations show that a water molecule (Wat1) has moved towards the zinc ion and lies in the distance range to coordinate with the zinc ion weakly. In addition, the sensitivity of theoretical spectra to the different ligand bodies was evaluated in terms of goodness-of-fit. [Copyright &y& Elsevier]

VUV-UV and Eu-L3 edge XANES spectra were measured for europium-doped strontium tetraborate prepared by solid state reaction at high temperature in air. The VUV-UV spectra show that the host absorption band of SrB4O7 appears below 170 nm. The charge transfer band of Eu3+ doped in SrB4O7 is peaked at 272 nm. The 4f–5d transitions of Eu2+ consist of a band peaked at 310 nm with a shoulder at 280 nm and also include the bands peaked at 238 (weak) and 203 (strong) nm. The result of XANES spectrum at Eu-L3 edge of the synthesized sample indicates that Eu3+ and Eu2+ coexist in SrB4O7:Eu prepared in air, which is consistent with the results of the VUV-UV spectra. [Copyright &y& Elsevier]