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81.
Non-small cell lung cancer (NSCLC) is a lethal non-immunogenic malignancy and proto-oncogene ROS-1 tyrosine kinase is one of its clinically relevant oncogenic markers. The ROS-1 inhibitor, crizotinib, demonstrated resistance due to the Gly2032Arg mutation. To curtail this resistance, researchers developed lorlatinib against the mutated kinase. In the present study, a receptor-ligand pharmacophore model exploiting the key features of lorlatinib binding with ROS-1 was exploited to identify inhibitors against the wild-type (WT) and the mutant (MT) kinase domain. The developed model was utilized to virtually screen the TimTec flavonoids database and the retrieved drug-like hits were subjected for docking with the WT and MT ROS-1 kinase. A total of 10 flavonoids displayed higher docking scores than lorlatinib. Subsequent molecular dynamics simulations of the acquired flavonoids with WT and MT ROS-1 revealed no steric clashes with the Arg2032 (MT ROS-1). The binding free energy calculations computed via molecular mechanics/Poisson-Boltzmann surface area (MM/PBSA) demonstrated one flavonoid (Hit) with better energy than lorlatinib in binding with WT and MT ROS-1. The Hit compound was observed to bind in the ROS-1 selectivity pocket comprised of residues from the β-3 sheet and DFG-motif. The identified Hit from this investigation could act as a potent WT and MT ROS-1 inhibitor. 相似文献
82.
K.C. Devarayapalli S.V. Prabhakar Vattikuti T.V.M. Sreekanth Ki Soo Yoo P.C. Nagajyothi Jaesool Shim 《应用有机金属化学》2020,34(3):e5376
Herein, cobalt (Co)-based metal–organic zeolitic imidazole frameworks (ZIF-67) coupled with g-C3N4 nanosheets synthesized via a simple microwave irradiation method. SEM, TEM and HR-TEM results showed that ZIF-67 were uniformly dispersed on g-C3N4 surfaces and had a rhombic dodecahedron shape. The photocatalytic properties of g-C3N4/ZIF-67 nanocomposite were evaluated by photocatalytic dye degradation of crystal violet (CV), 4-chlorophenol (4-CP) and photocatalytic hydrogen (H2) production. In presence of visible light illumination, the photocatalytic dye results showed that 95% CV degradation and 53% 4-CP degradation within 80 min. The H2 production of the g-C3N4/ZIF-67 composite was 2084 μmol g−1, which is 3.84 folds greater than that of bare g-C3N4 (541 μmol g−1). 相似文献
83.
Jung Bin In Bin Xiang David J. Hwang Sang-Gil Ryu Eunpa Kim Jae-Hyuck Yoo Oscar Dubon Andrew M. Minor Costas P. Grigoropoulos 《Applied Physics A: Materials Science & Processing》2014,114(1):277-285
We observe laser-induced grain morphology change in silicon nanopillars under a transmission electron microscopy (TEM) environment. We couple the TEM with a near-field scanning optical microscopy pulsed laser processing system. This novel combination enables immediate scrutiny on the grain morphologies that the pulsed laser irradiation produces. We find unusual transformation of the tip of the amorphous or polycrystalline silicon pillar into a single crystalline domain via melt-mediated crystallization. On the basis of the three-dimensional finite difference simulation result and the dark field TEM data, we propose that the creation of the distinct single crystalline tip originates from the dominant grain growth initiated at the apex of the non-planar liquid–solid interface. Our microscopic observation provides a fundamental basis for laser-induced conversion of amorphous nanostructures into coarse-grained crystals. 相似文献
84.
85.
Toshihiko Arita Jungwoo Yoo Tadafumi Adschiri 《Journal of nanoparticle research》2010,12(7):2567-2578
Decanoic acid self-assembled monolayer (SAM) in the quasi-crystalline state was prepared on the surface of the cubic CeO2 nanoparticles (6.5 ± 1.1 nm) by hydrothermal synthesis. The purification method to obtain quasi-crystalline SAM without residual
(free) decanoic acid was developed. The SAM was carefully washed (purified) and characterized carefully by FT-IR, TG, DSC,
and NMR. The obtained results showed that good agreement with the property of the dry state SAM. The solution state properties
of the SAM were also examined by the CeO2 nanoparticles. It turned out that the quasi-crystalline SAM could be swollen by its good solvents, cyclohexane, and chloroform;
however, the quasi-crystalline SAM showed that a size exclusion effect to the solvent, trans-decalin. In addition, it turned out that the molecular motion of the decanoic acids in the SAM was highly restricted even
in the swollen state depending on the distance from the grafting point to the CeO2 surface. The strong osmosis was also observed. The solvent molecules were not easily released from the SAM even after the
solvent molecules outside of the SAM were frozen. 相似文献
86.
The design variable tolerance effects on the natural frequency variance of constrained multi-body systems in dynamic equilibrium are investigated in this study. Monte-Carlo simulation is often employed for such investigations, but it is known to have serious drawbacks. Excessive amount of computation time needs to be consumed since a large number of evaluations are usually required for the method. Furthermore, the solution accuracy cannot be always guaranteed in spite of the excessive amount of computation time. In order to overcome such drawbacks, a method employing eigenvalue sensitivity information is proposed to obtain the variance of natural frequency in this study. In order to verify the accuracy and the efficiency of the method, some numerical examples of multi-body systems in dynamic equilibrium are solved and the results are compared to those obtained by an analytical method and Monte-Carlo simulation. 相似文献
87.
Canonical correlation analysis (CCA) is one of popular statistical methodologies in multivariate analysis, especially, in studying relation of two sets of variables. However, if sample sizes are smaller than the maximum of the dimensions of two sets of variables, it is not plausible to construct canonical coefficient matrices due to failure of inverting sample covariance matrices. In this article, we develop a two step procedure of CCA implemented in such situation. For this, seeded dimension reduction is adapted into CCA. Numerical studies confirm the approach, and two real data analyses are presented. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
88.
A multi‐channel microchip electrophoresis using a programmed step electric field strength (PSEFS) method was investigated for fast parallel detection of feline panleukopenia virus (FPV) DNA. An expanded laser beam, a 10× objective lens, and a charge‐coupled device camera were used to simultaneously detect the separations in three parallel channels using laser‐induced fluorescence detection. The parallel separations of a 100‐bp DNA ladder were demonstrated on the system using a sieving gel matrix of 0.5% poly(ethylene oxide) (Mr = 8 000 000) in the individual channels. In addition, the PSEFS method was also applied for faster DNA separation without loss of resolving power. A DNA size marker, FPV DNA sample, and a negative control were simultaneously analyzed with single‐run and one‐step detection. The FPV DNA was clearly distinguished within 30 s, which was more than 100 times faster than with conventional slab gel electrophoresis. The proposed multi‐channel microchip electrophoresis with PSEFS was demonstrated to be a simple and powerful diagnostic method to analyze multiple disease‐related DNA fragments in parallel with high speed, throughput, and accuracy. 相似文献
89.
Hongki Kim Dr. Taejoon Kang Hyoban Lee Hyunseong Ryoo Dr. Seung Min Yoo Prof. Dr. Sang Yup Lee Prof. Dr. Bongsoo Kim 《化学:亚洲杂志》2013,8(12):3010-3014
The direct transfer of single‐crystalline Au nanowires (NWs) onto Au substrates was achieved by a simple attachment and detachment process. In the presence of a lubricant, Au NWs grown vertically on a sapphire substrate were efficiently moved to an Au substrate through van der Waals interactions. We demonstrate that the transferred Au NWs on the Au substrate can act as sensitive, reproducible, and long‐term‐stable surface‐enhanced Raman scattering (SERS) sensors by detecting human α‐thrombin as well as Pb2+ and Hg2+ ions. These three biochemically and/or environmentally important analytes were successfully detected with high sensitivity and selectivity by Au NW‐SERS sensors bound by a thrombin‐binding aptamer. Furthermore, the as‐prepared sensors remained in working order after being stored under ambient conditions at room temperature for 80 days. Because Au NWs can be routinely transferred onto Au substrates and because the resultant Au NW‐SERS sensors are highly stable and provide with high sensitivity and reproducibility of detection, these sensors hold potential for practical use in biochemical sensing. 相似文献
90.
A new cyclization route, triggered by epoxide opening, has been performed to provide the key intermediates for isoindolobenzapine alkaloids, lennoxamine and chilenine. The epoxide was prepared by the Stille reaction using vinyltributylstannane and the following dioxirane treatment. Cyclization under the treatment of BF3 · OEt2 provided an azepine moiety, and the oxidative cyclization toward the known precursor for the alkaloids has been achieved by reaction with a stoichiometric amount of Pd(OAc)2. This formal synthesis suggests a new route to the alkaloids. 相似文献