andrea damascelli probing the electronic structure of complex systems by arpes

... states have the same energy On the right side of the TS, the AFM-LS is more favorable than the AFM-IS, while on the left side of the TS, the AFM-IS is more favorable than the AFM-LS We have the saving ... going to the right side of the TS DELS= ETS EAFM-LS(ETSis the total energy of the TS, and EAFM-LS is the total energy in the AFM-LS state of the model structure under consideration) and the saving ... Moreover, based on the observation of the projected density of state (pDOS) at the Mn(1) site of (17) in the paper by Han’s et al.,25we found the existence of the spin-up states just below the Fermi level

Ngày tải lên: 16/12/2017, 17:21

... parse tree T , if we denote the set of lexicalized phrase structures in T by C, the set of lexicalized word structures by W, and the set of unknown flat words by F , then the joint probability Pr(T, ... very complex structures By (3)–(5), the generation of word structures is exactly the same as that of ordinary phrase struc-tures Hence the probabilities of these words can be defined in the same ... these structures by ourselves The good news is that the annotation is not too complicated First, we ex-tract all words in the treebank and check each of them manually Words with non-trivial structures

Ngày tải lên: 17/03/2014, 00:20

... the integrity of the cell The goodness of these simplified models was evaluated by using the solutions of the full mechanistic model as the reference standard In most cases that were tested, the ... bold) The heading designates the type of load parameter varied and the range of variation relative to the normal value of the reference state The last four columns show the percentage of the total ... passage of the cell through thin capillaries [17], the ATP demand may increase by a factor of 3–5 The oxi-dative load of erythrocytes may rise by two orders of magnitude in the presence of oxidative

Ngày tải lên: 23/03/2014, 06:20

... occupy the position vacated in the H334A mutant through removal of the imidazole group of the His, thereby effectively replacing the function of the origi-nal side chain in catalysis by the mutant ... upshift by £ 1.0 pH units of the entire pH dependence of phosphoro-lysis by the mutant, whereas the pH rate profile of the wild-type was not influenced by the added imidaz-ole Although these results ... for the hydrogen bond between Nd of His334 and the 6-OH of the glucosyl residue bound at the catalytic subsite in the selective stabilization of the transition state O-6, the ring oxygen, and the

Ngày tải lên: 23/03/2014, 07:20

... Acceleration of the cis–trans isomerization of the peptide results in the collapse of these resonances into a single set of peaks (D) Binding, but not isomerization, of the N-terminal peptide of PPWD1 ... by the model of the crystallographic data, which shows Arg489 pointing into the active site of the isomerase, whereas Lys488 points into the solvent There are chemical shifts on addition of the ... interactions between the backbone nitrogen of Glu485 with the oxygen of Gly551, the side-chain of Glu485 is nestled in a deep pocket of the enzyme (Fig 3B) An oxygen of the c-carboxyl group forms

Ngày tải lên: 23/03/2014, 07:20

... B Fig 1 The topology of Glut1 and alignment of the deduced amino acid sequences of Glut1 and Glut3 (A) The predicted structure of Glut1 [1] The position of the single endogenous site of N-linked ... line [25] The differential distribution of these isoforms seems to be independent of cell type or the amount of protein expressed To clarify the molecular basis for the con-trol of the differential ... N31 contains the first 12 amino acids of the N-terminal tail of Glut1 and, subsequently, amino acids 11–496 of Glut3 The location of the FLAG-tag is indi-cated by hatched areas at the N-terminus

Ngày tải lên: 23/03/2014, 09:20

... following the sequence.) Together with the extended loop, which extends 20 A˚ from the center of the funnel, they form the base of the b subunit (Fig 3) The last four resi-dues in the C-terminal ... region is dominated by a nine-stranded antiparallel b-sheet in the center of the domain with the active site of the enzyme on one side and the Rieske center on the other side of the sheet (Fig 3) ... from the interface between the a and b subunits to the catalytic site The comparison of these structures with other known oxygenases suggests that the broad substrate specificity pre-sented by the

Ngày tải lên: 23/03/2014, 09:21

... used to solve the structure Quality and description of the model The crystal structure of TmIDH was solved by molecu-lar replacement at 2.2 A˚ and represents the apo form of the enzyme The atomic ... structure of the dimeric apo form of TmIDH at 2.2 A˚ The R-factor of the refined model was 18.5% (Rfree22.4%) The conformation of the TmIDH structure was open and showed a domain rotation of 25– ... Super-position of the small domains showed an rmsd of 0.27 A˚ for the Ca-atoms, whereas the rmsd between the large domains was 0.32 A˚ The relative difference in the rotation of the large domain between the

Ngày tải lên: 23/03/2014, 10:21

... few miles furthereast The same people continued to do the same job What then their work had meant that their offices in the Bank had ously been sealed off internally from the rest of the Bank (Chinese ... responsibilities.’ And yet the current tide is running now quite strongly in the opposite direction.7The Wallis Report in Australia, the establish-ment of the FSA in the UK, much of the advice of the IMF to ... business of the firm, and in ensuring that other internal systems and controls are in place The detail of some of these systems and controls may indeed be specific to either prudential or conduct of

Ngày tải lên: 29/03/2014, 08:20

... stabilization of the the major part of the conformational structure of HDAH [13] The meq value of free and complexed HDAH is about )11 kJÆ mol)1Æm)1 This is consistent with the assumption that the intermediate, ... bottom of the active site and two K+ ions in the neighbourhood of the active site [13] The import-ance of Zn2+ and K+ ions for the conformational structure of HDAH was investigated by measuring the ... conformational stability of HDAH, DDG u , upon inhibitor binding is the difference between the free energy of unfolding of HDAH in the absence of inhibitor and in the presence of 100 l M of the noted inhibitor

Ngày tải lên: 30/03/2014, 08:20

... (ThDP) is the deprotonation of the C2 atom of the thiazolium ring (marked by an asterisk) The resulting ylid of ThDP (I) can attack the carbon atom of the carbonyl group of the substrate pyruvate, ... space-filling mode The closed and open sides of the tetramers are indicated. Trang 6Structure of the active siteThe general architecture of the active site of KlPDC corresponds to that of other ThDP-dependent ... in the final model, and the position of the residues adjacent to the loop are labeled The orientation of the sub-unit is the same as that of subsub-unit B in Fig 1. Trang 5domains contains the

Ngày tải lên: 30/03/2014, 10:20

... the structure of the a and/or b subunits in the complex form reported Discussion Structure ofPf b2and mutual activation Since the first report in 1988 [3], the crystal structures of the a2b2 complex ... Trang 2structures of the a or b2subunits alone as well as that of thecomplex The three-dimensional structure of the tryptophan synthase a2b2 complex from Salmonella typhimurium was determined by ... on the basis of its X-ray structure [17] In this report, the stabilization mechanism of the hyperthermophilc b2 subunit will be discussed on the basis of the crystal structures, compared with the

Ngày tải lên: 30/03/2014, 14:20

... through analysis of the StP primary structure The results have revealed clearly that Arg234 and Arg242 of the TOWER interface region of StP partially destabilize the dimer structure of the unligated ... elements of rmGP [4] and EcMalP [3] onto the linear sequence of StP and thus measures the extent of conservation of the respective
sites in StP As in other GPs, the catalytic site and the PLP ... about by the mutations is reflected by significant shifts of the Cmvalues for the mutants, relative to that for the wild-type, to higher urea concentrations by
1M or greater The stabilization of

Ngày tải lên: 31/03/2014, 01:20

... the railway timetable represents the underlying structure of the running of trains, it doesn’t tell us whether the trains are red or yellow These are part of the physical characteristics of the ... furthermore, both tures are comprised of a cover and some inside leaves of paper, but thefunction of the manila folder is to hold the final draft of a pamphlet ofpoems, while the function of the ... between the behaviour of sounds, and the behaviour of trains The analogy isn’t my own; it’s a reworking of an analogy constructed by the Swiss linguist Ferdinand de Saussure in the early years of the

Ngày tải lên: 07/04/2014, 01:09

... on Cerro Gordo at the end of the avenue The sensation of containment is further am-plified by the manner in which the Avenue of the Dead was built Although the overall effect is of one long road ... emerging from a goddess on theTeocalli, Tenochtitlan 157 8.12 Southerly view of the Plaza of theMoon 159 8.13 Plan of the Building of the Altars 1608.14 Calendrical page of the Codex Féjérvary-Mayer ... it.Furthermore, these courtyards work in tandemwith another feature of the avenue The walk isnot only a directional one, but a vertical climb as well The southern section of the Avenue ofthe Dead

Ngày tải lên: 11/06/2014, 15:57

... on the electronic structures of BNNTs Fig-ure 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 ... effect of the interactive forces and is deter-mined by the distance between the atoms In Equation 2, Viis the Voronoi volume of atomi and is constructed by the perpendicular planes bisecting the ... strain in the axial direction of the BNNT is given by  =l −l l z t z o z o ( ) ( ) ( ) (3) where l z t( ) is the length of the BNNT in the axial direction following elongation and lz(o) is the initial

Ngày tải lên: 21/06/2014, 05:20

... studied the effect of the mutations on the thermodynamic and kinetic stability. The similarity of the impact on both the thermodynamic and kinetic stabilities suggests a predominant effect on the ... stability is caused by destabilization of the native state relative to th e unfolded state. The decrease in the thermodynamic s tability of the other less s table v ariants, all of which were exclusively obtained ... F start is the signal of the substrate before the addition of enzyme, F end is the signal after cleavage of all substrate, and [E] is the concentration of RNase A . CD spectroscopy CD spectra of RNase...

Ngày tải lên: 16/03/2014, 18:20

... A ˚ resolution by the molecular replacement method. The schematic view of the overall structure is shown in Fig. 3A. Theenzymeexistsasadimeroftheabc heterotrimer. There is a noncrystallographic twofold ... cob(II)alamin by X-ray irradiation [59]. Therefore, we believe that the structure reported in this paper is also that of the glycerol dehydrataseÆcob(II)alamin complex. The dihedral angle of the northern ... from a bulk of water by the corrin ring of cobalamin. Figure 4B shows the structure around the enzyme-bound cobalamin. The cobalamin molecule is bound between the a and b subunits in the so-called...

Ngày tải lên: 21/02/2014, 03:20

... the form curl/π (2) + E (2) . 5. Strategy of the proof of the Asymptotics Theorem In this section we describe the main ideas in the proof of the Asymptotics Theorem. (1) Section 6. We start by ... given a detailed proof of the theorem by relying heav- ily on a result, which we have called the Asymptotics Theorem, concerning the geometric properties of the causal structure of appropriately ... I + 0 is the future domain of the origin on Σ 0 . Remark 9.3. The proof of Corollary 9.2 requires an extension argument. The estimates of the Asymptotics Theorem, which are uniform with respect to the...

Ngày tải lên: 16/02/2014, 05:20

... to the enzyme. This may indicate that the steric limitation of the enzyme’s binding pocket takes place in the area between the ortho and para positions of the aromatic substrate. On the basis of ... removes the steric hindrance and allows the approach of 2IPA towards the catalytic iron. Residue I248 lies at the entrance of the substrate- binding pocket of the enzyme, leading to the substrate channel. ... [14]. The lack of characterization of the structural determinant of the substrate specificity of the AtdA enzyme has thus limited its development as a biocatalyst for the bioremediation of a wide...

Ngày tải lên: 19/02/2014, 02:20