the electronic structure of complex systems

... qualitatively the existence of the IS state of Mn2+, as well as the existence of elongated Jahn–Teller distortions at the B sites in (3)–(7) However, the existence of the LS ground-state of Fig The correlations ... explain the spin state of manganese ions Note that the existence of the LS state of Mn2+ ions in (1) and (2) is related to the Structure Types II and II*, while the existence of the IS state of Mn2+ ... 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

Ngày tải lên: 16/12/2017, 17:21

... the philosophy of acancer cell Together, these problems far exceed the importance of an event like the credit crunch.The debt that the global economy is building up with the environment, or the ... independently of one another to maximise their own utility This view of the economy – similar to the atomic theory of physics – sees the individual as all-important, and downplays the role of society ... 1721, after losing most of his fortune in the collapse of the South Sea bubble: ‘I can calculate the motions of heavenly bodies, but not the madness of people.’ To see whether the economy is law-bound

Ngày tải lên: 29/03/2018, 13:59

... concerns the change of cropping of farmers and their strategy to adapt to the change of salinity of water These studies only focus on a subpart of Step 6 of the LUP process They enric the plan ... Anlyzis of the recent land-use plans issues in the Mekong Delta 18 1.3 Research questions 22 1.4 Objectives of the current research 22 1.5 Contribution of the thesis 23 1.6 Structure of the thesis ... correction of the thesis and research papers as well as their help for the implementation of the BDI architecture into the GAMA platform I would like to express my gratitude to the rest of my thesis

Ngày tải lên: 11/07/2021, 16:37

... depends on the exponent of a weighted set of statistics (y) The set of statistics represents the predictors that one can put in the model; for example, the number of edges, the number of triangles, ... chance Furthermore, the more time researchers are part of the field, the greater the human capital that they acquire This capital comes in the form of research ideas and human connections The longer ... "The Social Structure of the Information Systems Collaboration Network: Centers of Influence and Antecedents of Tie Formation," Communications of the Association for Information Systems:

Ngày tải lên: 23/10/2022, 15:24

... 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 ... quality for none of the reactions except the ATPase reaction On the other hand, the quality achieved with the LL rate law fluctuated less from one reaction to the other than with the other simplified ... sensors of the energetic status of the cell [22] Under conditions of enhanced utilization or atten-uated synthesis of ATP or GTP, the concentrations of the related monophosphates increase, due to the

Ngày tải lên: 23/03/2014, 06:20

... 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 ... splice-osomal complexes It is theorized that this high level of complexity and seeming duplication of effort in the spliceosomal complexes are a function of the exquisite sophistication of dynamic ... 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 ... through these FLAG-tagged proteins Neither the N-terminus nor the C-terminus of Glut1 is needed for the DRM distribution To determine the functional domains responsible for the DRM distribution of

Ngày tải lên: 23/03/2014, 09:20

... 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) Covering one side of the sheet are two Fig 2 Crystal structure ... 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 ... for each of the three a subunits LI, on the other hand, could only be partially modeled for one of the three a subunits, the high flexibility of the loop precluded modeling for the two other chains

Ngày tải lên: 23/03/2014, 09:21

... 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– ... 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 ... 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, ... stability of these enzymes Fur-thermore, despite the identification of a large number of HDAC inhibitors, the effect of inhibitor binding on enzyme structure and conformational stability of the enzyme ... 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

... 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 ... located at the solvent-exposed surface of the tetramer and it connects the middle and the C-ter-minal domains (Fig 2) In the crystal structure of pyruvamide-activated ScPDC, the cleft between these

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 ... 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 ... accepted 28 April 2004) 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

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 ... bp downstream of the stop codon of the StP gene The entire open reading frame for StP consisted of 2388 bp encoding a protein of 796 amino acids The calculated molecular mass of the StP subunit

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 ... thinking ofthe written system of the language as in some sense‘primary’ that they maymake faulty generalisations about the sound structure of the language theyspeak For example, try the following

Ngày tải lên: 07/04/2014, 01:09

... 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 ... 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 ... 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 ... whererB and rN represent the radii of the B and N cylinders If the value of radial buckling approaches zero, the B and N atoms will be located on the cylindri-cal surface of the BNNT, while a positive ... when the strain continuously increases Figure 6 shows the Mulliken charges at different strains for the B63 and N61 atoms of the (8,0) BNNT and for the B68 and N35 atoms of the (5,5) BNNT These

Ngày tải lên: 21/06/2014, 05:20

... previous MIMO results On the other hand, there are no reports in the literature on the study of the chan-nel capacity of MIMO systems with the Nakagami fading to the best of the authors’ knowledge ... conservativeness of the lower bound comes from the diagonal assumption on Q. If, on the other hand, Q is nondiagonal, some kind of knowl-edge, either statistical property on or the exact value of the fading ... is, the outage probability can be actually viewed as the cumulative distribution function (cdf) of the conditional Shannon capacity Notice that the last equality of the above function of the

Ngày tải lên: 22/06/2014, 23:20

... 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 and southern least-squares ... twofold axis around the center of Fig. 3A. The structure of an abc heterotrimer unit is shown in Fig. 3B. The central region of the a subunit constitutes the (b/a) 8 barrel, the so-called TIM (triosephosphate isomerase) ... 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 axis...

Ngày tải lên: 21/02/2014, 03:20

... express ε AB R A43B in 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 ... 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