Ab initio electronic structure investigation of adsorption, coadsorption and reactions on selected transition metal surfaces
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 investigation of sialidase enzyme mechanism and hydration pattern ... development of sialidase inhibitors Chapter 7, deals with the effect of substituents on the binding affinity of the sialidase inhibitors The substituents were introduced at the C4 and C7 position of DANA...
- 209
- 262
- 0
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 their large aromatic surfaces, ... Figure 1. 9 Structure of G- tetrads and its ligands: (a) G- tetrad, (b) oligoamides binding to G- quadruplexes 1. 3 Aim of the Study Although there have been many recent advances in devised folding...
- 18
- 233
- 0
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 for [M+Na]+ (C25H23N3O9): m/z 5 32. 1 327 found: ... NMR ( 125 MHz, CDCl3) δ 165.80, 1 62. 86, 161. 42, 151 .21 , 149.19, 147.17, 144 .29 , 136.39, 1 32. 58, 131.86, 129 .20 , 128 .57, 126 .69, 126 .57, 126 .28 , 126 .14, 125 .67, 124 .63, 123 .41, 64.40, 63.07, 62. 37,...
- 72
- 284
- 0
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, CDCl3) δ 165. 43, 1 63. 43, 1 63. 01, 162.81, ... observed previously.3c Figure 3. 1 Side and top views of oligoamides and 6: (a) crystal structure of pentamer 5a, (b) ab initio calculated structure of 5a and (c) crystal structure of hexamer 6a Interior...
- 21
- 261
- 0
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, 129.91, 129.00, 128. 94, 128.66, 128 .41 , 128.22, 128.15, ... D Eur J Org Chem 2002, 3075 (b) Ho¨ger, S Chem Eur J 20 04, 10, 1320 (c) Zhang, W.; Moore, J S Angew Chem., Int Ed 2006, 45 , 44 16 Zhang, W.; Moore, J S Angew Chem., Int Ed 2006, 45 , 44 16 Holub,...
- 20
- 417
- 0
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+ ODN3 5 - TTAGGGTTAGGGT-3’ Telomeric ... loss of G- quadruplex binding affinity and selectivity 5. 2 Result and discussion Table 5. 1 Sequences of oligomers (primers) used in this study oligomers ODN1 Sequence 5 -GGGTTAGGGTTAGGGTTAGGGT-3’...
- 47
- 318
- 0
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 ≈ 0.5 nM) 29-mer which binds ... immobilized on gold nanoparticle Au-T3 Modified TBA2 immobilized on gold ATGTATC-5’ Au-T4 Au-SH-3’-AAAAAAAAAACTATCAGTGGGGTTGGACGGGATGGTGCCTG nanoparticle Au-SH-3’-AAAAAAAAAACTA GATACA TCAGGC-5’ Complementary...
- 18
- 260
- 0
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 Aggregation states of Au-TBA ... (lane 3) and 5b (lane 4) Figure 7. 12 Colorimetric assay of acyclic oligomers showing (a) the disaggregation of AuNPs in the absence of acyclic oligomers and the aggregation of AuNPs induced by (b)...
- 14
- 250
- 0
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-continuous and V- discrete pattern Int Journal of Heat ... Tariq, A. , Keshav Kant and Panigrahi, P K., Heat transfer enhancement using an internally threaded tube”, Proceeding of the 4th ISHMT-ASME and 15th National Conference on Heat and Mass transfer...
- 12
- 831
- 0
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 subsequent tyrosines in the whole cTCRf chain in vitro, ... rate-limited by ATP concentration The levels of incorporation of 32P into the peptide were used to calculate the kinetics of phosphorylation by Lck at each tyrosine, and from these an order of phosphorylation...
- 8
- 570
- 0
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 about the market values of any of the ... to effect willingness to pay This suggests an association bias in which respondents have positive associations for credit cards that in¯ate their willingness to pay regardless of the actual payment...
- 8
- 344
- 0
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 the tapering mechanism observed in our case ... illustration in Figure 4a is used in order to understand the tapering mechanism To put things into perspective, the growth of tapered nanowires can be categorized as a special case of cylindrical nanowires...
- 9
- 557
- 0
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 consensus hydrophobic scale of ... identify putative transmembrane α-helix forming segments using hydrophobic moment plot methodology, hydropathy plot analysis [15] is initially undertaken to identify the primary amphiphilicity of candidate...
- 11
- 386
- 0
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 incorporating that information into the statistical ... measures to explain and predict performance In fact, as our understanding of human judgments, in general, and judgmental adjustments, in particular, increases, the particular functioning of cognitive...
- 333
- 166
- 0
Từ khóa: theoretical investigation of carbon nets and moleculesdaugherity p d chu j h 2007 investigation of serrated roll surface differences on ribbon thickness during roller compaction pharmaceutical development and technology 12 603 608investigation of radionuclide activity and determination of the absorption coefficient of gamma radiationdifferent forms of investment opportunities and elaborate on the risk factorthe impact of management training and development on small and mediumsized enterprises pdfwhat is the impact of inflation deflation and unemployment on a societyeffects of debt renegotiations and restructuring on total amount borrowedreported deposition velocities of a series of gas phase and particle bound pahs to vegetation surfaces and corresponding represe nt ative lifetimes with respect to removal by depositionbalance of n p and k on dairy farmsimpact of maternal education and care on preschoolers nutrition application of two way anovafast diffusion of graphene flake and commensurate incommensurate phase transitiontypes of beams loads and reactionsimpacts of indian policies and laws on regenerative medicine patent applicationsexploration of complementary therapies and impact on quality of lifestudy 1 effect of culture gender and age on olfactory tasks in elderly subjectsNghiên cứu tổ chức pha chế, đánh giá chất lượng thuốc tiêm truyền trong điều kiện dã ngoạiMột số giải pháp nâng cao chất lượng streaming thích ứng video trên nền giao thức HTTPđề thi thử THPTQG 2019 toán THPT chuyên thái bình lần 2 có lời giảiGiáo án Sinh học 11 bài 13: Thực hành phát hiện diệp lục và carôtenôitĐỒ ÁN NGHIÊN CỨU CÔNG NGHỆ KẾT NỐI VÔ TUYẾN CỰ LY XA, CÔNG SUẤT THẤP LPWANPhát triển mạng lưới kinh doanh nước sạch tại công ty TNHH một thành viên kinh doanh nước sạch quảng ninhPhát hiện xâm nhập dựa trên thuật toán k meansNghiên cứu khả năng đo năng lượng điện bằng hệ thu thập dữ liệu 16 kênh DEWE 5000Thiết kế và chế tạo mô hình biến tần (inverter) cho máy điều hòa không khíChuong 2 nhận dạng rui roTổ chức và hoạt động của Phòng Tư pháp từ thực tiễn tỉnh Phú Thọ (Luận văn thạc sĩ)BT Tieng anh 6 UNIT 2Tranh tụng tại phiên tòa hình sự sơ thẩm theo pháp luật tố tụng hình sự Việt Nam từ thực tiễn xét xử của các Tòa án quân sự Quân khu (Luận văn thạc sĩ)Giáo án Sinh học 11 bài 15: Tiêu hóa ở động vậtGiáo án Sinh học 11 bài 15: Tiêu hóa ở động vậtchuong 1 tong quan quan tri rui roTrách nhiệm của người sử dụng lao động đối với lao động nữ theo pháp luật lao động Việt Nam từ thực tiễn các khu công nghiệp tại thành phố Hồ Chí Minh (Luận văn thạc sĩ)BÀI HOÀN CHỈNH TỔNG QUAN VỀ MẠNG XÃ HỘIChiến lược marketing tại ngân hàng Agribank chi nhánh Sài Gòn từ 2013-2015MÔN TRUYỀN THÔNG MARKETING TÍCH HỢP