the electronic properties of molecules

... on the electronic structures of BNNTs Figure 7a,b,c,d,e shows the PDOS of s and p orbitals of B68 and N35 atoms as well as the summation of these orbitals for the (8,0) BNNT At strain of 0, there ... address the influence of axial tensions on the electronic properties of (8,0) zigzag and (5,5) armchair BNNTs Although the stress-strain profiles indicate the mechanical properties of these two ... l z(t ) is the length of the BNNT in the axial b BNNT (6,6) The normal strain in the axial direction of the BNNT is given by (2) j where is the average radius of atom i and rij is the distance...

Ngày tải lên: 21/06/2014, 05:20

... of energy band in bulk Si and confinement effect: the confinement decreases the energy of HO states and increases the energy of the LU states, but the magnitude of the energy shift depends on their ... and ez is the zero-point energy of Si–H vibrations The value of lSi is equal to that in bulk Si and the zero of lH is taken to be the chemical potential at which the formation energy of SiH4 is ... could be the same as those using larger supercells where Etot is the total energy of nanowire in the supercell, lSi (lH) is the chemical potential of an Si (H) atom, nSi (nH) is the number of Si...

Ngày tải lên: 16/03/2014, 15:37

... to the analysis of the data and wrote the article SS carried out the sample preparation, the measurements and participated to the analysis of the data ER worked on the evaluation of ion-graphene ... fluence, the weighted average of the vacancy density on the probed area can be obtained by n N vac   i 1 N vac ,i f i , being N vac,i the values of the vacancy densities in the histograms and fi the ... the formation of point defects (vacancies), whereas the density of charged impurities adsorbed on the graphene surface or at the interface with the substrate remains almost unchanged Hence, the...

Ngày tải lên: 21/06/2014, 05:20

... to the analysis of the data and wrote the article SS carried out the sample preparation, the measurements and participated to the analysis of the data ER worked on the evaluation of ion-graphene ... fluence, the weighted average of the vacancy density on the probed area can be obtained by n N vac   i 1 N vac ,i f i , being N vac,i the values of the vacancy densities in the histograms and fi the ... the formation of point defects (vacancies), whereas the density of charged impurities adsorbed on the graphene surface or at the interface with the substrate remains almost unchanged Hence, the...

Ngày tải lên: 21/06/2014, 06:20

... time of heatsetting (air, solvent or water) and the tension applied to the substrates during heatsetting [11, 12] The essence of this paper is to determine the effect of time of heatsetting on the ... Figure Effect of time of heatsetting on the linearity of load extension in weft direction of knitted Ingeo™ Poly (lactic acid) Figure Mean effect of time of heatsetting on the linearity of load extension ... [PLA] Figure Mean [Ā] of effect of time of heatsetting on the tensile extension EM [%] of Ingeo™ Poly (lactic acid) 3.2 Linearity of load extension curve LT [-] The linearity of load extension curve...

Ngày tải lên: 05/09/2013, 16:10

... in the ECM, and the pH of the ECM control the filtering aspect of the ECM The ECM is a transit area for the passage of nutrients from the bloodstream into the cells and for toxins released by the ... improve the electrical functions of the ECM Therefore the composition and degree of toxicity of the ECM-glycocalyx interface will affect the electrical field and the flow of biocurrents in the ECM The ... between the inside of the cell and the outside of the cell The difference is known as the membrane potential • Because the membrane potential is created by the difference in the concentration of ions...

Ngày tải lên: 14/02/2014, 22:20

... disappearance of specific resonances without the concomitant appearance of other signals in other parts of the spectrum This result could be a consequence of the paramagnetic properties of Fe(II), ... Titration of CyaY with Fe2+ and Fe3+ Addition of Fe2+ induced the displacement of several resonances in the [1H,15N]-HSQC NMR spectrum of CyaY, but the most striking consequence of the addition was the ... induce a line ˚ broadening of 1–100 Hz in nuclei located within A of the binding site, depending on the molecular mass of the protein and the strength of the magnetic field The only exceptions are...

Ngày tải lên: 18/02/2014, 16:20

... in the apparent Km values for these substrates The interpretation of these results is complicated because the levels of uncoupling will be variable depending on the mutant and the nature of the ... binding In the case of the R258K mutant this may be allowed because of disordering of the lysine side-chain, as was previously observed for the R258Q mutant (Fig 1) [17] In the case of the R258H ... of mutations appears to be similar regardless of whether the prime substrate was penicillin G or ampicillin Utilization of 2-oxoglutarate by the R258 mutants The level of 2-OG conversion in the...

Ngày tải lên: 20/02/2014, 23:20

Ngày tải lên: 21/02/2014, 18:20

... compounds of interest in the prevention of colon cancer In the present study, we investigated the relationship of different structural factors of procyanidins, such as the mean degree of polymerization ... significantly absorbed in the intestinal tract, and reach the colon mainly intact [27] They are therefore bioavailable to the epithelial cells in the intestinal wall, where procyanidins and other phenolics ... spectroscopy to test the radical-scavenging capacity of the fractions The results show that the oligomeric fractions (VIIIG, IVG, VIIIP and IVP), which were the most effective in the previous assays...

Ngày tải lên: 07/03/2014, 05:20

... domain of PABPN1 consisting of amino acids 1–125 of the wild-type protein (N-WT) Because the aim of this study was to investigate the effect on the fibrillation properties of the most extreme disease-associated ... using the nanoscope analysis software Chemical stability of fibrils The chemical stability of fibrils was tested after the fibrillation process was completed (no further rise of ANS signals) The sample ... [26] The formation of amorphous aggregates was independent of the presence or length of the poly l-alanine sequence In contrast, no amorphous aggregates were observed with the N-terminal domain of...

Ngày tải lên: 07/03/2014, 11:20

... in isolation, they have an elevated tendency to self-associate To further characterize the nature of aggregation of FXR proteins, we have carried out a study of their aggregation properties using ... average diameter of 10 nm (Fig 6D) They also clustered together and were often found to be decorated with the uranyl acetate stain Taken together these results confirm a marked tendency of FXR constructs ... analysed the secondary structure content at different temperatures of FMRP Nt-KH1 (residues 1–280), the longest of the FMRP fragments we could obtain in a stable form (Fig 3A) The spectrum of Nt-KH1...

Ngày tải lên: 14/03/2014, 23:20

... in the affinity of the PLRP2 for micellar substrates, and probably allows the interaction of the enzyme with the substrate structure Whether the motion of the lid promotes the recognition of the ... 79 and resulting in the unmasking of the catalytic triad of the enzyme induced by the motion of the flap The accessibility of the active site can be tested using the ability of an organophosphate, ... of the PLRP2 subfamily The aim of our study was to investigate the contribution of the N-terminal and C-terminal domains to the particular behavior of hoPLRP2 The structural organization of the...

Ngày tải lên: 16/03/2014, 06:20

... features of its hysteretic properties Thus, the structures of the binary and ternary complexes of hPAH have provided a detailed picture of the protein contacts involved in the binding of biopterin cofactor ... and hydrogen bonding network of the pterin cofactor in the three structures Superpositions of the binary and ternary complexes of hPAH onto the crystal structure of the ligand-free dimeric rPAH ... (relative to the catalytic iron) and the hydrogenbonding network of the bound H4biopterin Moreover, the substrate induced repositioning of the cofactor also accounts for the release of its interaction...

Ngày tải lên: 17/03/2014, 09:20

... has s counting Proof This proof is really just a generalization of the proof of Theorem It uses, however, the Q subsets in a way that the proof of Theorem does not First, we drop the n subscript ... {at .a~} The number of strings in A is less than or equal to the number of ways of selecting one of the u strings Consider the u string to the leftof the boundary which z overlaps Because of wraparound, ... polynomiaUy bigger than the size of a grammar for the language itself The proof of this claim rests on inspection of one of the standard proofs, say Hopcroft and Ullman [5] The result is proved...

Ngày tải lên: 17/03/2014, 20:20

... of these novel EPR signals to either the cofactor or the P-cluster has proven elusive due to the fact that both of these metal clusters present in the Fe-only nitrogenase are diamagnetic in the ... identical with the control spectrum in the absence of Rc1Mo Furthermore, with the exception of the classical S ¼ 3/2 signal of the MoFe protein at lower temperatures (< 12 K), no other signal was ... type of nitrogenase cluster [27–31] In view of the lack of analogous studies on the cofactor and the P-cluster of the MoFe protein from R capsulatus (Rc1Mo), as well as our intention to use the...

Ngày tải lên: 18/03/2014, 01:20

... the credibility of the ‘scavenger’ hypothesis, we designed the last two parts of this study to simulate the physiological conditions in this tissue We evaluated the functional properties of the ... dilution in mL of 20 mm Tris ⁄ HCl buffer pH 7.8 The HNE molecules specifically interacting with the binding sites of the two OBP forms were then displaced by the addition of a large excess of the OBP ... Evaluation of the third hypothesis, the molecular basis of which is described above, is the aim of this study Here, we report the binding properties, chemical modification and chemical resistance of recombinant...

Ngày tải lên: 23/03/2014, 10:20

... Analysis of the properties of this region illuminated a unified mechanism for the formation of the peptide bond, the translocation of the tRNA molecules and the entrance of nascent proteins into the ... to the inner shell and contacting the lower part of the 3¢ termini of the tRNA molecules, four of the P-site nucleotides are located somewhat deeper in the PTC, compared with their mates at the ... formation, and the shift of the acceptor stems of the tRNA Sovereign motions of structural features of the tRNA, although of a different nature, were suggested previously and are the basis for the hybrid-state...

Ngày tải lên: 23/03/2014, 17:22

... used for further amplification Sequence analysis of PCR products from these mutant viruses confirmed the correct insertion of the ELDKWA peptide into the gp64 gene To observe the growth of viral mutants ... demonstrating the disruption of the epitope of this mouse mAb and the absence of any wild-type gp64 (Fig 3B) Expression of recombinant gp64 in infected insect cells The expression levels of recombinant ... On the Y-axis the mean intensity of fluorescence for infected Sf9 cells, expressed as the median of fluorescence of three independent infections, is shown Error bars correspond to the SD of the...

Ngày tải lên: 23/03/2014, 21:21

... orthologs in other organisms They are the two isoforms of the ADP ⁄ ATP translocase [14–16], the carnitine ⁄ acylcarnitine [17,18], citrate [13] and mitoferrin carriers [19] In the present study, ... CG6608-RB The significance of these two transcripts, which have arisen from alternative splicing of the 5¢-UTR, is not yet known However, the 5¢-UTR of eukaryotic mRNAs can play a role in the posttranscriptional ... does not catalyze the unidirectional transport (uniport) of dATP, but only the exchange reaction The uniport mode of transport was further investigated by measuring the efflux of dATPaS-[35S] from...

Ngày tải lên: 29/03/2014, 08:20