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991.
Chin Yee Liew Xiao Hua Ma Chun Wei Yap 《Journal of computer-aided molecular design》2010,24(2):131-141
Phosphoinositide 3-kinases (PI3Ks) inhibitors have treatment potential for cancer, diabetes, cardiovascular disease, chronic
inflammation and asthma. A consensus model consisting of three base classifiers (AODE, kNN, and SVM) trained with 1,283 positive compounds (PI3K inhibitors), 16 negative compounds (PI3K non-inhibitors) and 64,078
generated putative negatives was developed for predicting compounds with PI3K inhibitory activity of IC50 ≤ 10 μM. The consensus model has an estimated false positive rate of 0.75%. Nine novel potential inhibitors were identified
using the consensus model and several of these contain structural features that are consistent with those found to be important
for PI3K inhibitory activities. An advantage of the current model is that it does not require knowledge of 3D structural information
of the various PI3K isoforms, which is not readily available for all isoforms. 相似文献
992.
Ling Pei Meiya Li Jun Liu Benfang Yu Jing Wang Dongyun Guo Xingzhong Zhao 《Journal of Sol-Gel Science and Technology》2010,53(2):193-198
Ferroelectric thin films of Nd and Mn co-doped bismuth titanate, Bi3.15Nd0.85Ti3−x
Mn
x
O12 (BNTM) (x = 0–0.1), were fabricated on Pt/TiO2/SiO2/Si(100) substrates by a sol–gel technique. The BNTM films had a polycrystalline perovskite structure and uniform and dense
surface morphologies. A lattice distortion was observed in the BNTM films due to Mn ion doping. The ferroelectric measurement
of the films indicated that the values of coercive field (E
c
) decreased gradually with the increase of the Mn content (x), however, the remanent polarization (P
r
) increase firstly and then decrease with the increase of x. The sample with x = 0.05 had optimum electrical properties and a maximum 2P
r
value. The 2P
r
and 2E
c
values of the film at a maximum applied electric field of 400 kV/cm were 38.3 μC/cm2 and 180 kV/cm, respectively. Moreover, this BNTM capacitors did not show fatigue behaviors after 1.0 × 1010 switching cycles at a frequency of 1 MHz, suggesting a fatigue-free character. The main reason for the increase of the 2P
r
and the decrease of the 2E
c
might be attributed to the lattice distortion in BNTM films due to Mn ion doping. 相似文献
993.
Dapeng Zhao Dr. Wei Gao Dr. Ying Mu Prof. Ling Ye 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(14):4394-4401
A series of new titanium(IV) complexes with o‐metalated arylimine and/or cis‐9,10‐dihydrophenanthrenediamide ligands, [o‐C6H4(CH?NR)TiCl3] (R=2,6‐iPr2C6H3 ( 3 a ), 2,6‐Me2C6H3 ( 3 b ), tBu ( 3 c )), [cis‐9,10‐PhenH2(NR)2TiCl2] (PhenH2=9,10‐dihydrophenanthrene; R=2,6‐iPr2C6H3 ( 4 a ), 2,6‐Me2C6H3 ( 4 b ), tBu ( 4 c )), [{cis‐9,10‐PhenH2(NR)2}{o‐C6H4(HC?NR)}TiCl] (R=2,6‐iPr2C6H3 ( 5 a ), 2,6‐Me2C6H3 ( 5 b ), tBu ( 5 c )), have been synthesised from the reactions of TiCl4 with o‐C6H4(CH?NR)Li (R=2,6‐iPr2C6H3, 2,6‐Me2C6H3, tBu). Complexes 4 and 5 were formed unexpectedly from the reactions of TiCl4 with two or three equivalents of the corresponding o‐C6H4(CH?NR)Li followed by sequential intramolecular C? C bond‐forming reductive elimination and oxidative coupling reactions. Attempts to isolate the intermediates, [{o‐C6H4(CH?NR)}2TiCl2] ( 2 ), were unsuccessful. All complexes were characterised by 1H and 13C NMR spectroscopy, and the molecular structures of 3 a , 4 a – c , 5 a , and 5 c were determined by X‐ray crystallography. 相似文献
994.
Eric Chi‐Ho Kwok Dr. Mei‐Yee Chan Dr. Keith Man‐Chung Wong Dr. Wai Han Lam Prof. Dr. Vivian Wing‐Wah Yam 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(40):12244-12254
A series of platinum(II) alkynyl‐based sensitizers has been synthesized and found to show light‐to‐electricity conversion properties. These dyes were developed as sensitizers for the application in nanocrystalline TiO2 dye‐sensitized solar cells (DSSCs). Their photophysical and electrochemical properties were studied. The excited‐state property was probed using nanosecond transient absorption spectroscopy, which showed the formation of a charge‐separated state that arises from the intramolecular photoinduced charge transfer from the platinum(II) alkynylbithienylbenzothiadiazole moiety (donor) to the polypyridyl ligand (acceptor). A lifetime of 3.4 μs was observed for the charge‐separated state. A dye‐sensitized solar cell based on one of the complexes showed a short‐circuit photocurrent of 7.12 mA cm?2, an open circuit voltage of 780 mV, and a fill factor of 0.65, thus giving an overall power conversion efficiency of 3.6 %. 相似文献
995.
In this paper, we first reported the viable but nonculturable (VBNC) cells used for fabricating biosensor. The organic-inorganic hybrid material composed of silica and the grafting copolymer of poly(vinyl alcohol) and 4-vinylpyridine (PVA-g-P(4-VP)) was used to immobilize microbial cells for biosensor fabrication. The VBNC cells were formed after the hybrid material dried, showing the cell walls were sacrificed. With the intracellular enzymes as core and the “sacrificed” cell walls as shell, the present VBNC cells maybe considered as a core/shell structure. The extracellular material worked as the scaffold for core/shell structure. The core/shell structure and the scaffold structure were demonstrated by single-cell level image analysis using confocal laser scanning microscopy (CLSM). The electrochemical method was adopted for further examining the enzyme activity of VBNC cells. The VBNC cells did not need nutrient treatment and other physicochemical factors for cell growth, which is a significant contribution for storing biosensor. A glucose-glutamic acid biosensor fabricated by the VBNC cells exhibited long-term storage stability for 100 days. 相似文献
996.
Zhou L Tan CK Jiang X Chen F Yeung YY 《Journal of the American Chemical Society》2010,132(44):15474-15476
A novel amino-thiocarbamate-catalyzed bromolactonization of unsaturated carboxylic acids has been developed. The scope of the reaction is evidenced by 22 examples of γ-lactones with up to 99% yield and 93% ee. The protocol was applied in the enantioselective synthesis of the key intermediates of VLA-4 antagonists. 相似文献
997.
Yong Shen Ai‐Xue Zuo Zhi‐Yong Jiang Xue‐Mei Zhang Hong‐Ling Wang Ji‐Jun Chen 《Helvetica chimica acta》2010,93(3):482-489
Five new C19‐diterpenoid alkaloids, named hemsleyaconitines A–E ( 1 – 5 , resp.), were isolated from Aconitum hemsleyanum Pritz. By UV, IR, MS, 1D‐ and 2D‐NMR analyses, their structures were elucidated as 18‐dehydroxygeniculatine D ( 1 ), 6‐hydroxy‐14‐O‐veratroylneoline ( 2 ), 14‐O‐acetyl‐8‐ethoxysachaconitine ( 3 ), 18‐veratroylkaracoline ( 4 ) and 8‐O‐ethylaustroconitine B ( 5 ). 相似文献
998.
Three novel sandwich‐type polyoxotungstates ( 1 – 3 ) were synthesized in good yield using an in‐situ conventional solution synthesis method by reaction in aqueous media below 80 °C. Compounds 1 – 3 represent the first structurally characterized β‐B‐BiW9 sandwich‐type polyoxometalates with triethanolamine cations. All three compounds have the same building unit [(X(H2O)3)2(X0.5W0.5O)2(β‐B‐BiW9O33)2)]10– [X = MnII ( 1 ), CoII ( 2 ), NiII ( 3 )]. The adjacent units of 1 or 2 are joined by Na+ cations in different ways to construct 1D chains or 2D sheets. A 3D supramolecular structure is further formed by hydrogen bond interactions among water molecules and protonated triethanolamine cations. Meanwhile only compound 3 shows a 0D structure. The compounds were characterized by elemental analysis, IR spectroscopy, TG analysis, and single‐crystal X‐ray diffraction. Magnetic measurements on a sample of 1 show the presence of paramagnetic interactions. 相似文献
999.
The intensities of resonance Rayleigh scattering (RRS) of poly (vinyl pyrrolidone) (PVP) and of eosin Y (EY) are weak in solutions of pH 2.9 to 3.4. If reacted with each other, the intensities of RRS are largely enhanced and new RRS bands appear at 276 nm and 320 nm. The intensity at 276 nm is linearly related to the concentration of PVP in the range from 0.10 to 1.6 μg mL-1. The correlation coefficient is 0.9987, and the detection limit is 28.7 ng mL-1. The binding mode between PVP and EY was studied by RRS, and by absorption and fluorescence spectroscopy. The optimum reaction conditions and some potential interferences were investigated. The method displays good selectivity and was applied to the determination of PVP in beer. 相似文献
1000.
A series of novel helicid derivatives containing 3,4-dihydropyrimidin-2(1H)-one and 3,4-dihydropyrimidine2(1H)-thione moiety (3a–3f and 4a–4f) were synthesized starting from helicid. The structure of the new compounds were characterized by 1H NMR, IR and HR-MS spectra. The sedative-hypnotic activities of the target compounds were evaluated using the test of spontaneous
locomotor activity in mice. All of the derivatives produced moderate to high activities; in particular, compound 4a presented the most potent sedative-hypnotic effect in comparison to the other derivatives, and derivatives 3a, 3c, 3d, 3e and 3f also showed potent activities. 相似文献