Ab initio electronic structure investigation of adsorption, coadsorption and reactions on selected transition metal surfaces
computational modeling of adsorption, nucleation and catalysis on solid surfaces
Ngày tải lên: 13/11/2014, 10:13
Ab initio and DFT investigation of the mechanism and hydration pattern of sialidase and its inhibitor
... AB INITIO AND DFT INVESTIGATION OF THE MECHANISM AND HYDRATION PATTERN OF SIALIDASE AND ITS INHIBITORS KRISHNAN CHANDRASEKARAN M.S (By Research) Chemistry National University of Singapore A THESIS ... substituents of tamiflu 170-172 Figure 40-44, C6 substituents of tamiflu 174-175 xi SUMMARY This research study addresses the ab initio and DFT inv...
Ngày tải lên: 11/09/2015, 09:15
Synthesis and structure investigation of stabilized aromatic oligoamides and their interaction with g quadruplex structures 1
... the group of Hamilton,29 Lehn,28 Gong ,13 Huc15 and Li16 made a great contribution in developing crescent and helical structures containing cavtities with tunable sizes since 19 99 Gong’s group ... pore was prompted as 10 Figure 1. 7b.24 Figure 1. 7 Circular aromatic oligoamides from Gong’s group (a) Chemical structures of shape persistent macrocyles 1, (b) with thei...
Ngày tải lên: 10/09/2015, 15:49
Synthesis and structure investigation of stabilized aromatic oligoamides and their interaction with g quadruplex structures 2
... 126 .55， 126 .47, 126 .36, 126 .31, 126 .18， 126 .03, 125 .97, 125 . 92, 125 .84, 125 .35, 125 .13, 63 124 .99, 124 .88, 124 .84, 124 .68, 124 .43, 123 .10, 64.46, 63 .26 , 63.10, 63.00, 62. 97, 62. 25, 52. 23 HRMS-ESI: ... 131.97, 129 .09, 128 .97, 126 .73, 126 .63, 126 .22 , 125 .79, 125 .05, 124 .71, 124 .59, 124 . 42, 123 .45, 64.45, 63 .23 , 62. 50, 53.38, 52. 30 HRMS-ESI: calculated f...
Ngày tải lên: 10/09/2015, 15:49
Synthesis and structure investigation of stabilized aromatic oligoamides and their interaction with g quadruplex structures 3
... 161. 13, 155 .38 , 155.08, 149.09, 147. 43, 147 .39 , 147.19, 147.09, 144.42, 1 43. 95, 140. 53, 132 .91, 132 . 53, 132 .36 , 132 .28, 132 .21, 132 . 13, 129 .39 , 126.91, 126. 83, 126.69, 126.52, 126.45, 125. 63, 125.45, ... 4.00 (s, 3H), 3. 94 (s, 3H), 3. 90 (s, 6H), 3. 83 (s, 3H), 3. 82 (s, 3H), 1.67 (m, 2H), 1.48 (s, 6H), 1.27 (m, 8H), 1.15 (m, 2H), 0.66 (m, 3H) 13C NMR (125 MHz, CDC...
Ngày tải lên: 10/09/2015, 15:49
Synthesis and structure investigation of stabilized aromatic oligoamides and their interaction with g quadruplex structures 4
... H-bonding interactions, leading to the rigidification of the amide linkages and a crescent aromatic backbone Figure 4. 2 1H NMR spectrum (500 MHz, 298 K, CDCl3) of pentamer at mM 4. 2 .4 Solid State Structure ... 165.83, 163.13, 160 .41 , 159 .44 , 156. 14, 155.30, 1 54. 23, 152.13, 151.56, 149 .60, 141 .79, 139 .47 , 138.29, 137. 54, 1 24 136 .47 , 1 34. 80, 133.90, 132.79, 129...
Ngày tải lên: 10/09/2015, 15:49
Synthesis and structure investigation of stabilized aromatic oligoamides and their interaction with g quadruplex structures 5
... forming a parallel G- quadruplex ODN4 5 -GAGTTAGAGTTAGAGTTAGAGT-3’ Mutated ODN1 that can’t form a G- quadruplex ODN5 5 -AGGGTTAGGGTTAGGGTTAGGGT-3’ Telomeric DNA forming -parallel/antiparallel G- quadruplex ... DNA forming -parallel/antiparallel G- quadruplex in K ODN2 5 -TAGGGTTAGGGTTAGGGTTAGGGT-3’ Telomeric DNA mixed + forming mixed -parallel/antiparallel G- quadruplex in K...
Ngày tải lên: 10/09/2015, 15:49
Synthesis and structure investigation of stabilized aromatic oligoamides and their interaction with g quadruplex structures 6
... TBA 5’- GGTTGGTGT GGTTGG-3’ Thrombin-binding aptamer TBA2 5’-AGTCCGTGGTAGGGCAGGTTGGGGTGACT-3’ Thrombin-binding aptamer Apt29R 5’- AGTCACCCCAACCTGCCCTACCACGGACT-3’ Complementary sequence of TBA2 ... (5’-GGTTGGTGTGGTTGG-3’), which binds to the fibrinogen-binding site of thrombin with Kd ≈ 100 nM, and (5’-AGTCCGTGGTAGGGCAGGTTGGGGTGACT-3’), heparin-binding site of thrombin with Kd ≈ 0...
Ngày tải lên: 10/09/2015, 15:49
Synthesis and structure investigation of stabilized aromatic oligoamides and their interaction with g quadruplex structures 7
... AuNPs aggregation was studied As in Figure 7. 5, even though the aggregation of gold nanoparticles remained when the concentration of 10a is lower than μM, at 0 .75 μM, partial disaggregation of AuNPs ... capable of strong binding toward TBA Thus, the developed AuNPs screening assay allows the efficient and specific identification of G- quadruplex- binding ligands Figure 7. 13...
Ngày tải lên: 10/09/2015, 15:49
An experimental investigation of heat transfer and fluid flow in a rectangular duct with inclined discrete ribs
... rib arrangements on heat transfer and flow behavior in a rectangular rib roughened passage” International Journal of Heat and mass transfer; 123: 675-681, 2001 [6] Lau S.C., McMillin R.D and Han ... studies of augmented heat transfer and friction in asymmetrically heated rectangular ducts with ribs on the heated wall in transverse, inclined, V-continu...
Ngày tải lên: 05/09/2013, 16:10
Báo cáo khoa học: Investigation of the kinetics and order of tyrosine phosphorylation in the T-cell receptor f chain by the protein tyrosine kinase Lck potx
... restriction to Lck accessing certain tyrosine residues of the protein chain Our studies have determined the efficiency of phosphorylation of each of the six f ITAM tyrosines by PTK Lck, from which ... vitro phosphorylation by Lck, confirmed tyrosine 1N to be the first phosphorylated Differences arising in the order of phosphorylation of the sub...
Ngày tải lên: 08/03/2014, 02:20
Always Leave Home Without It: A Further Investigation of the Credit-Card Effect on Willingness to Pay pptx
... was played on a Sunday afternoon, three days after the Thursday auction The other pair of tickets was to a regular season baseball game, between the Red ALWAYS LEAVE HOME Sox and the Toronto Blue ... Blue Jays There was also a consolation prize of a pair of banners (one featuring the Celtics and one featuring the Red Sox) We did not provide information abou...
Ngày tải lên: 29/03/2014, 03:21
Báo cáo hóa học: " Investigation of Nucleation Mechanism and Tapering Observed in ZnO Nanowire Growth by Carbothermal Reduction Technique" ppt
... Reichling M: Phys Rev B 2008, 77:041405R doi:10.1007/s11671-010-9738-3 Cite this article as: Kar et al.: Investigation of Nucleation Mechanism and Tapering Observed in ZnO Nanowire Growth by Carbothermal ... such faceting is observed only in tapered nanowires and not in straight ones as seen in Figure 5d, indicating such faceting might have some relation to...
Ngày tải lên: 21/06/2014, 08:20
Báo cáo y học: "Investigation of hydrophobic moment and hydrophobicity properties for transmembrane α-helices" ppt
... frequency and the robustness to varying angular frequency Correlations between the mean hydrophobic moment and mean hydrophobicity of transmembrane αhelices are established, verified and analysed ... 25.05.04) Hydrophobic moment plot analysis of transmembrane, αhelix forming segments In the present study, all hydrophobic moment plot analyses were performed using the...
Ngày tải lên: 13/08/2014, 22:22
an investigation of accuracy, learning and biases in judgmental adjustments of statistical forecasts
... better understanding of judgmental adjustments is of interest to researchers and practitioners This research is an investigation of judgmental adjustments of statistical forecasts in terms of accuracy ... changes Sanders (1992) shows instances when judgmental adjustments can improve accuracy and reduce biases by recognizing the patterns in data and in...
Ngày tải lên: 02/11/2014, 00:25