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71.
Wu Qiyang Huang Tianyang Xia Songyan Otto Frank Lee Tzong-Yi Huang Hsien-Da Chiang Ying-Chih 《Journal of computer-aided molecular design》2022,36(7):537-547
Journal of Computer-Aided Molecular Design - When employing molecular dynamics (MD) simulations for computer-aided drug design, the quality of the used force fields is highly important. Here we... 相似文献
72.
Wang XL Yuan CZ Shen CP Wang P Adachi I Aihara H Arinstein K Aushev T Bakich AM Barberio E Bedny I Bhardwaj V Bitenc U Blyth S Bondar A Bozek A Bracko M Brodzicka J Browder TE Chang P Chen A Chen KF Cheon BG Chiang CC Chistov R Cho IS Choi SK Choi Y Dalseno J Danilov M Dash M Drutskoy A Eidelman S Epifanov D Gabyshev N Go A Gokhroo G Ha H Hayasaka K Hayashii H Hazumi M Heffernan D Hoshi Y Hou WS Hyun HJ Iijima T Inami K Ishikawa A Ishino H Itoh R Iwasaki Y Kah DH Kang JH Kawai H Kawasaki T 《Physical review letters》2007,99(14):142002
The cross section for e+ e- --> pi+ pi- psi(2S) between threshold and sqrt[s]=5.5 GeV is measured using 673 fb(-1) of data on and off the Upsilon(4S) resonance collected with the Belle detector at KEKB. Two resonant structures are observed in the pi+ pi- psi(2S) invariant-mass distribution, one at 4361 +/- 9 +/- 9 MeV/c2 with a width of 74 +/- 15 +/- 10 MeV/c2, and another at 4664 +/- 11 +/- 5 MeV/c2 with a width of 48 +/- 15 +/- 3 MeV/c2, if the mass spectrum is parametrized with the coherent sum of two Breit-Wigner functions. These values do not match those of any of the known charmonium states. 相似文献
73.
We show how the forbidden bands of a Bragg reflector may shrink to points and how some classes of the guided modes of a planar Bragg waveguide may disappear altogether by shrinking with the forbidden bands. We derive the general conditions to determine the missing modes and explain these conditions with examples. It is possible, for example, to design a Bragg waveguide that rejects all antisymmetric modes and supports only symmetric modes for the TE polarization. We also highlight the effect of Brewster incidence on the interpretation of the missing modes for the TM polarization. 相似文献
74.
Jiann-Jyh Huang Yu-Hsiang Lin Chun-Liang Lai Sheng-Chuan Yang Shu Fu Lin Ju-Ying Yang Hung-Jyun Huang Chiawei Liu Win-Yin Wei Shih-Hsien Chuang Chao-Cheng Chiang Ying-Shuen E. Lee Chu-Bin Liao Ching Yuh Chern 《中国化学会会志》2020,67(3):422-429
In this study, we reported the inhibition profiles of 4′-acylpyrrole–5-fluoroindolin-2-one 3 with a C-3′ side chain for VEGFR2, PDGFR-β, and FGFR-1 protein kinases. The pyrrole-fused cyclohexanone moiety provided 3 with the best potency to inhibit the three kinases, and the C-3′ side chains contributed to the different inhibition profiles of 3 . Compound 3b with a C-3′ 2-carboxylethyl side chain showed good potency for the three kinase (IC50: 25–260 nM), and compound 3g with a N,N-dialkyl-2-carbamoylethyl side chain was more active for VEGFR2 (IC50: 59 nM) and PDGFR-β (IC50: 16 nM) than FGFR-1 (IC50: 1.7 μM). The C-3′ 3-(dialkylamino)propyl side chain accomplished 3h – j as selective PDGFR-β inhibitors (IC50: 7.8–13 nM). Compound 3b was further investigated and found potent to inhibit VEGF- and FGF-dependent cell proliferation with moderate in vivo anticancer activity. Results from docking simulations revealed that the interactions of 3b with VEGFR2 and FGFR-1 which could account for the different inhibition profiles of 3 . 相似文献
75.
The effects of group-delay difference in an active nonlinear long-period fiber grating (LPFG) made in an erbium-doped amplifying fiber (EDF) are investigated by proposing a general model that include the effects of detuning, group-delay difference, gain saturation, gain bandwidth and Kerr nonlinearity. In particular, we observe a new feature caused by the interaction between the group-delay difference and the gain bandwidth: the pulse breakup effect due to the group-delay difference can be suppressed by the finite bandwidth of the linear gain. 相似文献
76.
M.F. Luo J.Y. Huang C.I. Chiang G.R. Hu C.C. Wang C.T. Wang C.W. Lin 《Surface science》2009,603(3):558-565
We present a self-organised approach for the synthesis of one-dimensional (1D) arrays of supported nanoclusters. By oxidising NiAl surfaces vicinal to the (1 0 0) plane tilted along the crystallographic direction [0 1 0], we produced ordered thin films of θ-Al2O3 that exhibit uniform protrusion stripes propagating uniquely along direction [0 0 1] of the NiAl. These protrusions are preferential centres for nucleation of metal deposited from a vapour; the nanoclusters grown from such metal are aligned and form massive 1D cluster arrays along direction [0 0 1]. The arrays of Co nanoclusters exhibit a diameter as small as 3 nm and length exceeding a micrometer. The results imply prospective applications for which a patterned assembly of nanoclusters is desired. 相似文献
77.
Kuei-Yi Chu Shiou-Ying Cheng Meng-Hsueh Chiang Yi-Jung Liu Chien-Chang Huang Tai-You Chen Chi-Shiang Hsu Wen-Chau Liu Wen-Yu Cheng Bin-Cian Lin 《Superlattices and Microstructures》2011,50(4):289-295
The characteristics of InGaP/InGaAs/GaAs dual channel pseudomorphic high electron mobility transistors (DCPHEMTs) with different graded triple delta-doped sheets are investigated and experimentally demonstrated. Based on a two-dimensional simulator of ATLAS, the band diagrams, electron densities and DC characteristics of studied devices are comprehensively analyzed. Due to the use of properly graded triple delta-doped sheets, good pinch-off and saturation characteristics, improved transport properties and wide current swing are obtained. For comparison, a practical DCPHEMT with good device performances is fabricated as well. It is found that the simulated data are in good agreement with experimental results. 相似文献
78.
Nanoscale artificial oil bodies (NOBs) could be assembled from plant oil, phospholipids (PLs), and oleosin (Ole) as previously
reported. NOBs have a lipid-based structure that contains a central oil space enclosed by a monolayer of Ole-bound PLs. As
an oil structural protein, Ole functions to maintain the integrity of NOBs. Like Ole, caleosin (Cal) is a plant oil-associated
protein. In this study, we investigated the feasibility of NOBs assembled by Cal for targeted delivery of drugs. Cal was first
fused with anti-HER2/neu affibody (ZH2), and the resulting fusion gene (Cal–ZH2) was then expressed in Escherichia coli. Consequently, NOBs assembled with the fusion protein were selectively internalized by HER2/neu-positive tumor cells. The internalization efficiency could reach as high as 90%. Furthermore, a hydrophobic anticancer drug,
Camptothecin (CPT), was encapsulated into Cal-based NOBs. These CPT-loaded NOBs had a size around 200 nm and were resistant
to hemolysis. Release of CPT from NOBs at the non-permissive condition followed a sustained and prolonged profile. After administration
of the CPT formulation, Cal–ZH2-displayed NOBs exhibited a strong antitumor activity toward HER2/neu-positive cells both in vitro and in vivo. The result indicates the potential of Cal-based NOBs for targeted delivery of hydrophobic drugs. 相似文献
79.
80.
Shih-Feng Tseng Wen-Tse HsiaoDonyau Chiang Kuo-Cheng HuangChang-Pin Chou 《Applied Surface Science》2011,257(16):7204-7209
The fluorine-doped tin oxide (FTO) thin film deposited on a soda-lime glass substrate was annealed by a defocus ultraviolet (UV) laser irradiation at ambient temperature. The mechanical and optoelectric properties of FTO films annealed by using the various laser processing parameters were reported. After the FTO films were subjected to laser post-annealing, the microhardness were slightly less but the reduced modulus values were larger than that of unannealed FTO films, respectively. The average optical transmittance in the visible waveband slightly increased with increasing the laser annealing energy and scan speed. Moreover, all the sheet resistance of laser annealed films was less than that of the unannealed ones. We found that the sheet resistance decrease was obviously influenced by annealing. The suitable annealing conditions could maintain the film thickness and relief the internal stress generated in the film preparation process to improve the electrical conductivity via decreasing laser energy or increasing scan speed. 相似文献