adsorption of cysteine on au 110 from first principles

... List of Publications List of Publications G Q Lin, H Gong, and P Wu, “Electronic properties of barium chalcogenides from first- principles calculations: Tailoring wide-band-gap II-VI semiconductors”, ... provided the foundation for theoretical calculations DFT is one of the most important methods in first- principles calculations First- principles calculation means “start from the beginning”, which ... according to the special chemical bonds of Ba−O Pauling electronegativity shows that ionic bonds are strong in Ba−O but weak in others (bonds between the barium and one of the group VI elements) Hence,...

Ngày tải lên: 08/11/2015, 17:01

... Estimation of phosphorus release flux under aerobic/anaerobic conditions Samples collected from each site were analyzed to determine the baseline conditions The DO concentration and the pH of the ... release Contribution of oxygen and nitrate in boundary layer water to Eh in sediment and phosphorus mobilization To examine the contribution of nitrate to DIP release from sediments, incubation of ... anaerobic condition (N2 saturation in plastic bag) Sediment Fig.2 – Schematic diagrams of experimental systems for (a) estimation of phosphorus release flux from bottom sediment, (b) verification of...

Ngày tải lên: 05/09/2013, 09:38

... electronic structures of S-doped C-SWNT depend strongly on the geometrical configuration of S atom in the C-SWNT Under the external electric field, the electronic extended states of wave function ... emitter fabrication Conclusions In summary, we investigated the electronic structures of S-doped capped (5, 5) C-SWNT with different doping position We emphasized on analysis on how electronic structures ... electric field However, electrons obviously have two flow directions in the process of the redistribution of wave function close to the cap One is as coupled states to the tip of C-SWNT and another is...

Ngày tải lên: 21/06/2014, 18:20

... effects of the incorporation of the Ig MAR on transgene expression from three types of LV containing a luciferase expression cassette (see Additional File for vector design) Three types of cells ... sense ChL, Bonferroni post-test, p < 0.001 and antisense ChL Bonferroni post-test, p < 0,001) Conclusion In conclusion, the Ig MAR does not systematically increase transgene expression from lentiviral ... expression by several fold [12] S/MAR (Scaffold/Matrix Attachment Region) and LCR (Locus Control Region) are insulators, and their contribution to expression has been studied in the context of LV...

Ngày tải lên: 14/08/2014, 19:22

... Title of Thesis/Dissertation: Identification of Publications on Disordered Proteins from PubMed For the degree of Master of Science Choose your degree I certify that in the preparation of this ... Regions viii ABSTRACT Sirisha, Peyyeti M.S., Purdue University, August 2011 Identification of Publications on Disordered Proteins from PubMed Major Professor: Yuni Xia The literature corresponding ... IDENTIFICATION OF PUBLICATIONS ON DISORDERED PROTEINS FROM PUBMED A Thesis Submitted to the Faculty of Purdue University by Sirisha Peyyeti In Partial Fulfillment of the Requirements for the Degree of...

Ngày tải lên: 24/08/2014, 11:31

... number of firms evaluated in August 2004 and because the GMI ratings are relative (i.e., the inclusion or deletion of firms affects the rating of all firms in the sample), we focus only on the ... disclosure of remuneration is not common in Japan, and the amount of remuneration is often determined internally; and fourth, as argued by Morck et al (2000), firm value in Japan increases monotonically ... last rating.3 This construction of relative ratings contrasts the use of absolute ratings (e.g., Gompers et al., 2003) As a robustness check, we also conduct our analysis on the January 2004...

Ngày tải lên: 06/01/2015, 19:48

... is an ironic fact that the modern electronic theory of oxidation and reduction is a virtual carbon copy of the phlogiston theory The first strides after recognition of mass conservation led to ... sensible study in each of the separate fields is a conservation law Thermodynamics is based, in the first instance, on the conservation of energy, chemistry is based on the conservation of energy and mass, ... delusion and the simplification it effects is outweighed by the contradiction with reality Flat space, by definition, is void All solutions of Einstein’s equations are conditioned by the need of some...

Ngày tải lên: 04/06/2014, 16:05

... distribution functions of (a) anion and (b) cation around Zn atom of IRMOF-1 in IL/IRMOF-1 membranes at WIL/IRMOF-1 = 0.4 92 Figure 7.5 Radial distribution functions of (a) anion and ... distribution functions of anion-cation in (a) IL/IRMOF-1 membranes at WIL/IRMOF-1 = 0.4 (b) bulk phase 94 xiv Figure 7.9 Radial distribution functions of anion-anion in (a) IL/IRMOF-1 membranes ... distribution functions of (a) [SCN] and (b) [BMIM]+ around the In, O, N, and Na+ of Na-rho-ZMOF in [BMIM][SCN]/ZMOF 112 Figure 8.9 Radial distribution functions of cation-anion, anion-anion,...

Ngày tải lên: 09/09/2015, 11:17

... center of nuclei, contributing to the overestimation of bond length; however, the latter contributes to underestimation of bond length arising from correlation with electrons in long-range on molecular ... constructed as a result of electron donation and electron back-donation 13 Figure 1.7 Frontier orbital interaction in the di-σ adsorption of ethylene on Pd(111) From Pallassana and Neurock (2000) ... of d states, on the adsorption of one adsorbate, lead to weaker interactions with other adsorbates; third, elastic interaction brought by local distortions of the surface lattice on adsorption...

Ngày tải lên: 06/10/2015, 21:06

... II b From 20-45 minutes per week c More than 45 minutes per week d There was no pronunciation lesson but the teacher taught the pronunciation of new words and corrected students’ pronunciation ... will need to know some of the basic rules of the sport First of all, remember that you only need one person to make a queue If you are alone at a bus stop, for example, don’t look to relaxed Make ... lesson (If yes, how long approximately? .) When you look up new words in the dictionary, what did you often do? a looked at its meaning only b looked at its pronunciation and meaning, then pronounced...

Ngày tải lên: 07/11/2012, 14:58

... teaching pronunciation 2.2.1 Aspects of pronunciation The question of “What is pronunciation?” has been answered by a number of different definitions Generally speaking, pronunciation is simply ... effect of continuous feedback on the students’ pronunciation of English consonant sounds Other aspects of English pronunciation would not be investigated Even though the researcher made use of speaking ... comprehension Thus, little attention is given to speaking, and almost none to pronunciation However, most methods give a genuine concern for the teaching of pronunciation The appearance of a method often...

Ngày tải lên: 07/11/2012, 14:58

... 2005 Effect of nitrogen levels and initial propionate concentrations Continuous illumination The effect of nitrogen levels and initial propionate concentrations on hydrogen production from pineapple ... production by photosynthetic bacteria Effect of nitrogen levels and initial acetate concentrations Continuous illumination Upon investigation of the effect of nitrogen levels and initial acetate concentrations ... replicates of serum bottles were incubated at 30 ºC under continuous illumination (24 hours of light) or periodic illumination (12 hours of dark condition alternated with 12 hours of light condition)...

Ngày tải lên: 05/09/2013, 09:08

... the first hypothesis On the other hand, adsorption of Ca and Mg from GW and subsequent decrease in leachate As concentrations supported the second hypothesis In the case of high concentrations of ... significant upon addition of more than 100 mg/L of Ca and Mg Fig 1(b) shows the Fe concentration profiles of leachate with different Ca and Mg additions Data indicated that leached Fe concentrations decreased ... that control As leaching under different conditions of Ca and Mg addition The objective of this study was to investigate the effect of Ca and Mg addition on the leaching behavior of As from highly...

Ngày tải lên: 05/09/2013, 10:15

... destinations that are disproportionately affected by the financial crisis.15 These results call for caution when deriving conclusions based on comparisons across sectors or destinations For example, conclusions ... $3.8 million Empirical Strategy This section describes our approach to identifying the causal effect of finance on exports Consider the following general characterization of the level of exports ... managerial ability of firm i, or the firm knowledge of the market for product p in destination d The second component captures changes in the cost of production of good p, variations in the transport...

Ngày tải lên: 16/02/2014, 03:20

... specification is parsimonious because of the difficulty of estimating a nonlinear system with crossequation restrictions The choices of outputs and inputs is consistent with the intermediation or ... substantial market power from high levels of concentration or market share appear to have substantial effects on prices, but not on profitability One possible explanation of this discrepancy may ... affiliation has continued into the 1990s At the outset of the 1980s, only 2.1% of bank assets were controlled by out -of- state banking organizations Halfway through the 1990s, 27,9% of assets were controlled...

Ngày tải lên: 06/03/2014, 08:21

... inhibitors of tyrosine sulfation and N-glycosylation under conditions that allowed partial inhibition of these modifications After dialysis, the conditioned medium was fractionated on heparin–Sepharose ... the pronounced instability of tyrosine sulfate under the conditions routinely applied for positive ion MALDI-TOF-MS of peptides A complete series of sequence-specific fragment ions was only found ... Glycoconjugate J 16, 81–98 38 Lee, E.U., Roth, J & Paulson, J.C (1989) Alteration of terminal glycosylation sequences on N-linked oligosaccharides of Chinese hamster ovary cells by expression of...

Ngày tải lên: 08/03/2014, 22:20

... clones were sequenced All restriction enzymes were obtained from New England Biolabs, Beverly, MA, USA Pichia-transformation, identification of transformants, and expression Transformation of ... Y-I-P-K-V, confirming the correct processing of the yeast (a-mating factor) signal sequence for protein export The additional tyrosine resulted from the cloning site Induction of expression of rPhl ... expression time (< 24 h) expression of nondegraded allergen could be achieved (Fig 2A) However, expression over prolonged periods of time, even in protein-rich medium, did not allow expression of...

Ngày tải lên: 08/03/2014, 22:20

... calculations by author 40 In terms of language, about 5% of consumer and provider respondents used the Spanish version of the survey, while 7.4% of Contra Costa IHSS consumers consider Spanish ... Likelihood of Provider Accompanying Consumer to Locations and Saying Consumer Needs Help Getting to Locations by Each Additional Hour of Provider’s Daily Time in Travel of Specific Locations……………………………………………………………………… ... Previous Month Because They Had No Transportation………………………………… 131 25 IHSS Provider Time per Week with Consumer and Destinations That Consumer Could Not Reach in Previous Month Because of Transportation...

Ngày tải lên: 14/03/2014, 17:20

... conducted on metal complex adsorption Only a few studies have examined the adsorption of metal–inorganic complexes The majority of studies on ternary complexes have focused on the adsorption of ... with EDTA Studies of adsorption of Co–NTA onto gibbsite [112] and Pb–NTA onto TiO2 [113] showed that chelation of the metal had only small effects on the adsorption of the metal onto the surface ... environmental concentrations, the presence of alkalineearth elements has only small effect on the adsorption of Cd on amorphous iron oxyhydroxides [136] kaolinite and montmorillonite Cr(VI) adsorption...

Ngày tải lên: 15/03/2014, 23:09