composite descriptors calculated from 2d structures

... This text Organic Structures from 2D NMR Spectra builds on the popular series Organic Structures from Spectra, which is now in its fifth edition The aim of Organic Structures from Spectra is to ... Organic Structures from 2D NMR Spectra Organic Structures from 2D NMR Spectra L D Field, H L Li and A M Magill School of Chemistry, ... applied field Organic Structures from 2D NMR Spectra L D Field, H L Li and A M Magill © 2015 John Wiley & Sons, Ltd Published 2015 by John Wiley & Sons, Ltd Organic Structures from 2D NMR Spectra Table...

Ngày tải lên: 02/12/2016, 12:53

... create them using structures, unions, and enumerated data types Discussions and examples include using pointers to structures, passing structures to functions, and returning structures from functions ... Combining Data into Structures 591 Accessing Structure Members 594 Initializing a Structure 599 Arrays of Structures 603 Focus on Software Engineering: Nested Structures 606 Structures as Function ... course: • Starting Out with C++: From Control Structures through Objects • • Starting Out with C++: Early Objects Brief Version of Starting Out with C++: From Control Structures through Objects Preface...

Ngày tải lên: 19/03/2014, 14:14

... of the MSI-594 helix varied from 15° to 25° from the Insights from NMR structures of antimicrobial peptides bilayer surface, whereas that of the MSI-78 helix varied from 5° to 10° The difference ... may form b-strands and b-turn structures in LPS micelles [52,54,57] With a set of designed peptides, the LPS-bound structures reveal multiple b-turn and b-strand structures (Fig 4) of these antimicrobial ... A Ramamoorthy 06 ⁄ 01 ⁄ 22 ⁄ 19 ⁄ 446 from A*BMRC (Singapore) (to S Bhattacharjya) We thank A Bhunia for preparing some of the figures Insights from NMR structures of antimicrobial peptides 18...

Ngày tải lên: 29/03/2014, 22:21

... order to generate multiple views which fit the 2D probe data, so 2D- to-3D” matching and retrieval can be achieved 1.2 Contributions This paper is a novel 2D- to-3D” retrieval framework with the following ... processed in order to extract multiple 2D silhouettes, (ii) multiple sketched contours of the same mental query (target), or (iii) simply 2D silhouettes extracted from multiple photos of the same category ... resulting from the combination of translation, rotation, scaling, and reflection Pv , v ∈ {xy, xz, yz}, denote, respectively, the “3D-to -2D parallel projections on the xy, xz, and yz canonical 2D planes...

Ngày tải lên: 21/06/2014, 18:20

... placebo Page of (page number not for citation purposes) was calculated, with 95% confidence interval (CI) [19] Relative risk with 95% CI was calculated by using the fixed effects model [20] and was ... were calculated for pain reduction and patient global assessment after intra-articular corticosteroid, on the basis of fewer than 200 patients [26] The NNT to achieve improvement in pain ranged from ... fees or lecture fees from pharmaceutical companies, including Pfizer, MSD, GSK, AstraZeneca, Grunenthal, Menarini and Futura RAM, HJM and SD have also received research support from charities and...

Ngày tải lên: 09/08/2014, 10:23

... 32 2.5 Concrete-Filled Pipe-In-Pipe Composite Structures 36 2.6 Filler Materials for Composite Structures 41 2.7 Observations Arising from the Literature Review 43 ii ... performance of the three types of pipe structures, i.e., the hollow pipe structures, the ULCC-filled pipe structures and the ULCC-filled pipe-in-pipe composite structures (2) To develop finite element ... pipe-in-pipe composite structures The objective of this research is, therefore, to develop a framework to predict the impact response of ultra lightweight cement composite (ULCC) filled pipe structures, ...

Ngày tải lên: 09/09/2015, 11:10

... most people are using SOI platforms to make 2D photonic structures However, SOI is much more expensive compared to bulk silicon, and it is limited to 2D structures In this thesis, a newly developed ... fabricate two dimensional (2D) , planar structures To make the devices more condensed integrated and more functional, three dimensional (3D) structures are necessary To achieve 3D structures, other additional ... E-field line, which moves from inside to outside the gap with decreasing gap size From [110] 47 Fig Schematic of the forced current approach to achieving high resolution structures, the black...

Ngày tải lên: 10/09/2015, 09:04

... exemplified by the 3D crystallographic structures of LH2’s from the species Rhodopseudomonas acidophila and Rhodospirillum molischianum [6,7] Both species synthesize LH2’s from repeating a-helical protein ... possibly originate from the structural differences between the LH2’s from different species Similarly, it has been documented that the LPR is a critical factor in packing LH2 from Rhodop acidophila ... from the image shown in Fig 4B (B) LH2 dimer type originating from Fig 4C (C, D) The two distinct height profiles of LH2 dimers, indicating the tilt (n = 20) (E) Zig-zag LH2 lattice isolated from...

Ngày tải lên: 18/02/2014, 18:20

... The crystal structures of CTX and NFX allowed us to make detailed comparison of 12 xylanases, five from thermophilic organisms This gives a more reliable comparison of the enzyme structures in ... three-dimensional structures of family 11 xylanases are now available for both mesophiles and thermophiles, we made a detailed comparison of the structures of these enzymes Twelve structures used ... with TRX II are 63% and 51%, respectively The molecular replacement solutions were initially calculated from the room temperature data sets and the models were further improved with the high-resolution...

Ngày tải lên: 20/02/2014, 23:20

... extracellular invertase from T maritima [62], exo-inulinase from A awamori [51], fructan-1-exohydrolase from Cichorium intybus [72], invertase from S occidentalis [59] and cell wall invertase from Arabidopsis ... b-fructofuranosidase from B longum KN29.1 was solved by molecular replacement using a model created from two similar proteins: invertase from Thermotoga maritima (PDB ID: 1W2T) [50] and exo-inulinase from Aspergillus ... enzymes from family GH32 with determined crystal structure b-fructofuranosidase from Bifidobacterium longum KN29.1; b-fructofuranosidase (invertase) from Thermotoga maritima [37]; invertase from...

Ngày tải lên: 06/03/2014, 00:21

... purchased from Haematologic Technologies Inc (Essex, VT, USA) Factor IX was obtained from Baxter Healthcare Corp (Fremont, CA, USA) The anti-Lex (SH1) and anti-Lea (CF4C4) IgG were purchased from ... was purchased from Bethyl Laboratories Inc (Montgomery, TX, USA) Lex-BSA and SLex-BSA were obtained from Calbiochem (Schwalbach, Germany); SLea-human serum albumin was purchased from GlycoTech ... individual glycoform In comparison, these larger structures occur at significantly higher abundance on the heavy chain and, with contribution from a total of four glycosylation sites, collectively...

Ngày tải lên: 07/03/2014, 06:20

... we aim to acquire qualia structures according to this restricted interpretation 889 Automatically Acquiring Qualia Structures Our approach to learning qualia structures from the Web is on the one ... the learned qualia structures a posteriori The paper is structured as follows: Section introduces qualia structures for the sake of completeness and describes the specific structures we aim to ... qualia structures In particular, we have focused on learning ranked qualia structures which allow to find an ideal cut-off point to increase the precision/recall trade-off of the learned structures...

Ngày tải lên: 08/03/2014, 02:21

... rest of the structures This residue also has multiple conformations in both structures of mutated protein (i.e TcRpiB-C69A ⁄ Pi and TcRpiB-C69A ⁄ All6P) In all the TcRpiB complex structures presented, ... data collection This work was supported from a grant from the Swedish Research Council (contract 2007-6136) to S.L.M A.L.S was supported by fellowships from the Repsol-YPF Foundation, the Swedish ... B-factor, ligand atoms, (A2) Ramachandran plot outliers (nonglycine) (%)b ˚ rmsd from ideal bond length (A)c rmsd from ideal bond angle (°)c PDB entry code Data collection statistics Data collection...

Ngày tải lên: 15/03/2014, 00:20

... model is from which the phases were computed Another type of electron-density map, the socalled difference map, calculated using differences between the observed and calculated amplitudes and calculated ... experimentally, they are calculated from the current model Such a (Fobs, ucalc) map represents an approximation of the true structure, depending on the accuracy of the calculated phases, that ... been compiled based on small-molecule structures [9–11] but there is growing evidence from high-quality protein models that the nuances of macromolecular structures should also be taken into account...

Ngày tải lên: 16/03/2014, 06:20

... analysis Total RNA was extracted from the H roretzi gonad according to the standard method of acid/guanidinium thiocyanate/chloroform Poly(A)+ RNA was isolated from total RNA by using oligotex-dT30 ... detected were cut from the membrane and the N-terminal amino-acid sequence was determined as described above RESULTS CDNA cloning of ascidian spermosin Spermosin was highly puri®ed from H roretzi ... From these results, it was concluded that there are two forms of spermosin in ascidian sperm and that the amount of the 33-kDa form is higher than that of the 40-kDa form Models for protein structures...

Ngày tải lên: 17/03/2014, 11:20

... International Monetary Fund WP/12/29 IMF Working Paper European Department Bank Funding Structures and Risk: Evidence from the Global Financial Crisis1 Prepared by Francisco Vazquez and Pablo Federico ... is suitable from the financial stability perspective Global banks are systemically important and extremely challenging to resolve, due to the complexity of their business and legal structures, ... home governments during the global financial crisis, starting from end-2007 This captures banks that received direct assistance from the government (equity injections, bond purchases) as opposed...

Ngày tải lên: 22/03/2014, 21:20

... intensities from the 150 ms mixing time NOESY spectrum resulted in interproton restraints for NTX-1 The results of hydrogen–deuterium exchange experiments along with preliminary NOE based calculated structures ... of the NMR structures reveals a satisfactory agreement between the two structures (Fig 5), with both having comparable mobility in the same structural regions Molecular dynamics The structures ... second cooling phase from 1000 K to 50 K in 4000 steps; and (d) 4000 steps refinement and energy minimization The time step for integration was set to 0.003 ps One hundred structures were generated...

Ngày tải lên: 23/03/2014, 13:20

... 4) GO(z, [FROM( y), z]) GO(z, [FROM( y), z]) GO(z, [FROM( AT(y)), z]) GO(z, [FROM( AT(y)), z]) GO(z, [y, TO(z)]) GO(x, [y, TO(z)]) GO(z, [FROM( y), TO(z)]) GO(z, [FROM( y),TO(z)]) GO(z, [FROM( AT(y)),TO(z)]) ... 149 S GO(cup, [FROM( AT(John)), TO(AT(Mary))]) VP GO(z, [FROM( AT(John)), TO(AT(Mary))I) NP cup DET N cup V GO(x, [y, z]) I The cup slid PP FROM( AT(John)) P NP FROM( AT(x)) J o h n I from I N John ... AT(Mary) FROM( AT(John)) AT(Mary) AT(John) AT(Mary) John disjunction GO(z,[y,TO(AT(z))]) FROM( AT(John)) Mary GO(z,[y,TO(AT(z))]) Mary FROM( AT(John)) GO(z, [FROM( y),TO(AT(z))]) AT(John) Mary GO(z, [FROM( y),TO(AT(z))])...

Ngày tải lên: 24/03/2014, 02:20

... GalSEGLx Lane 4, total GSLs from adult worms Lane 5, total GSLs from plerocercoids Monohexosylceramides GSLs corresponding to CMH were purified as three fractions from adult worms (Fig 2A) GLC ... GSLs were isolated from adults (less polar ones shown in Fig 2A; more polar ones in Fig 2B) and designated as A-1 through A-10 (ÔAÕ stands for adult) Five GSLs were isolated from plerocercoids ... globotriaosylceramide, and globotetraosylceramide was purchased from Matreya A standard mixture of partially methylated alditol acetates was from BioCarb Anti-paramyosin mAb PM was donated by T Nakamura...

Ngày tải lên: 24/03/2014, 03:21

... and Fc are the observed and calculated structure factors Rfree [47] is calculated as for Rwork but from a randomly selected subset of the data (5%), which were excluded from the refinement SeMet ... [23], serine racemase from Rattus norvegicus and Homo sapiens [30], and OASS from S typhimurium [31] In tryptophan synthase b from E coli [32] and l-serine dehydratase from Rattus norvegicus ... dehydratase from Saccharomyces cerevisiae Biochem J 409, 399–406 Tanaka H, Yamamoto A, Ishida T & Horiike K (2008) D-Serine dehydratase from chicken kidney: a vertebral homologue of the cryptic enzyme from...

Ngày tải lên: 28/03/2014, 22:20