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1.
Dhanpat Rai Dean A. Moore Nancy J. Hess Kevin M. Rosso Linfeng Rao Steve M. Heald 《Journal of solution chemistry》2007,36(10):1261-1285
Chromium(III)-carbonate reactions are expected to be important in managing high-level radioactive wastes. Extensive studies
on the solubility of amorphous Cr(III) hydroxide solid in a wide range of pH (3–13) at two different fixed partial pressures
of CO2(g) (0.003 or 0.03 atm.), and as functions of K2CO3 concentrations (0.01 to 5.8 mol⋅kg−1) in the presence of 0.01 mol⋅dm−3 KOH and KHCO3 concentrations (0.001 to 0.826 mol⋅kg−1) at room temperature (22±2 °C) were carried out to obtain reliable thermodynamic data for important Cr(III)-carbonate reactions.
A combination of techniques (XRD, XANES, EXAFS, UV-Vis-NIR spectroscopy, thermodynamic analyses of solubility data, and quantum
mechanical calculations) was used to characterize the solid and aqueous species. The Pitzer ion-interaction approach was used
to interpret the solubility data. Only two aqueous species [Cr(OH)(CO3)22− and Cr(OH)4CO33−] are required to explain Cr(III)-carbonate reactions in a wide range of pH, CO2(g) partial pressures, and bicarbonate and carbonate concentrations. Calculations based on density functional theory support
the existence of these species. The log 10
K° values of reactions involving these species [{Cr(OH)3(am) + 2CO2(g)⇌Cr(OH)(CO3)22−+2H+} and {Cr(OH)3(am) + OH−+CO32−
⇌Cr(OH)4CO33−}] were found to be −(19.07±0.41) and −(4.19±0.19), respectively. No other data on any Cr(III)-carbonato complexes are available
for comparisons. 相似文献
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Leighton TG White RR Morfey CL Clarke JW Heald GJ Dumbrell HA Holland KR 《The Journal of the Acoustical Society of America》2002,112(4):1366-1376
The measurement of an acoustic emission, or scatter, from a bubble is not difficult. However, an accurate interpretation of that signal in terms of the bubble dynamics may require careful consideration. The study presented here is at first sight relatively simple: comparison of the predicted and measured quality factors of injected bubbles. While the measurement is normally done by monitoring the decay of passive emissions from a bubble, this technique becomes difficult with smaller bubbles. Therefore an active technique is introduced, which removes all the frequency-dependent effects on the measurement (such as transducer response) bar one. That, critically, is the effect of the change in the bubble resonance (frequency and damping) which results from the loading on the bubble due to the reverberant field. The vast majority of theoretical treatments of bubble acoustics assume free field conditions, yet the environmental conditions rarely if ever match these. Therefore measurements of bubble damping are compared both with the established free field theory, and with a new theory relevant to the prevailing reverberant conditions (whether caused by tank surfaces, monochromatic neighboring bubbles, or both). 相似文献
4.
Using complementary experiments we show that the room temperature ferromagnetism observed in anatase Co:TiO(2) films is not carrier mediated, but coexists with the dielectric state. TEM and x-ray absorption spectroscopy reveal a solid solution of Co in anatase, where Co is not metallic but in the +2 state substituting for Ti. Measurements at 300 K yield a M(S) of 1.1 mu(B)/Co atom, while all films are highly insulating. The evidence of intrinsic ferromagnetism in the dielectric ground state of Co:TiO(2) leads to new considerations for the origin of ferromagnetism in transition metal doped oxides. 相似文献
5.
Pd(0) mediated couplings between substituted 2-(pivaloylamino)benzeneboronic acids and 3,6-disubstituted-10-methylacridones 13 bearing a bromo or trifluoromethylsulfonyloxy substituent in the 1-position yield intermediate 1-arylacridones 16 which can be can be cyclised to new 8-methylquino[4,3,2-kl]acridines 17 with phosphorus oxychloride or 6 M HCI in EtOH. Heck reactions between triflate-substituted substrates 17 and acrylic acid derivatives afforded quinoacridines with unsaturated side-chains in the 6-position. Alkylboranes, prepared by interaction of 9-borabicyclo[3,3,1]nonane (9-BBN) and allyl acetate or N-allyltrifluoroacetamide, participated in Suzuki-Miyaura reactions with chloro-substituted 8-methylquinoacridines to form derivatives bearing functionalised propyl groups in the 6- and 10-positions. Representative 8-methylquinoacridines were methylated with methyl iodide to yield telomerase-inhibitory 8,13-dimethylquinoacridinium iodides 24. 相似文献
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KM Davis BA Mattern JI Pacold T Zakharova D Brewe I Kosheleva RW Henning TJ Graber SM Heald GT Seidler Y Pushkar 《The journal of physical chemistry letters》2012,3(14):1858-1864
The paradigm of "detection-before-destruction" was tested for a metalloprotein complex exposed at room temperature to the high x-ray flux typical of third generation synchrotron sources. Following the progression of the x-ray induced damage by Mn Kβ x-ray emission spectroscopy, we demonstrated the feasibility of collecting room temperature data on the electronic structure of native Photosystem II, a trans-membrane metalloprotein complex containing a Mn(4)Ca cluster. The determined non-damaging observation timeframe (about 100 milliseconds using continuous monochromatic beam, deposited dose 1*10(7) photons/μm(2) or 1.3*10(4) Gy, and 66 microseconds in pulsed mode using pink beam, deposited dose 4*10(7) photons/μm(2) or 4.2*10(4) Gy) is sufficient for the analysis of this protein's electron dynamics and catalytic mechanism at room temperature. Reported time frames are expected to be representative for other metalloproteins. The described instrumentation, based on the short working distance dispersive spectrometer, and experimental methodology is broadly applicable to time-resolved x-ray emission analysis at synchrotron and x-ray free-electron laser light sources. 相似文献
8.
Németh K Chapman KW Balasubramanian M Shyam B Chupas PJ Heald SM Newville M Klingler RJ Winans RE Almer JD Sandi G Srajer G 《The Journal of chemical physics》2012,136(7):074105
An efficient implementation of simultaneous reverse Monte Carlo (RMC) modeling of pair distribution function (PDF) and EXAFS spectra is reported. This implementation is an extension of the technique established by Krayzman et al. [J. Appl. Cryst. 42, 867 (2009)] in the sense that it enables simultaneous real-space fitting of x-ray PDF with accurate treatment of Q-dependence of the scattering cross-sections and EXAFS with multiple photoelectron scattering included. The extension also allows for atom swaps during EXAFS fits thereby enabling modeling the effects of chemical disorder, such as migrating atoms and vacancies. Significant acceleration of EXAFS computation is achieved via discretization of effective path lengths and subsequent reduction of operation counts. The validity and accuracy of the approach is illustrated on small atomic clusters and on 5500-9000 atom models of bcc-Fe and α-Fe(2)O(3). The accuracy gains of combined simultaneous EXAFS and PDF fits are pointed out against PDF-only and EXAFS-only RMC fits. Our modeling approach may be widely used in PDF and EXAFS based investigations of disordered materials. 相似文献
9.
Yarrow et al. have identified a small molecule inhibitor of cell migration, 3-(4-pyridyl)indole ("Rockout"), that targets Rho-kinase via a novel screening method using a scratch wound healing assay adapted to a high-throughput format and automated microscopy. 相似文献
10.
The voltammetric response of nitrogen dioxide in aqueous sulfuric acid using an edge plane pyrolytic graphite electrode has been explored and contrasted with that from basal plane pyrolytic graphite, glassy carbon or boron-doped diamond electrodes. Edge plane graphite electrode is found to produce an excellent voltammetric signal in comparison with other carbon-based electrodes exhibiting a well-defined analytically useful voltammetric redox couple in 2.5 M sulfuric acid which is absent on the alternative electrodes. 相似文献