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961.
[reaction: see text] An efficient synthetic route to Cbz-protected 3-aminomethyl-2-aryl-8-bromo-6-chlorochromones has been developed. 3-Aryl-1-(3-bromo-5-chloro-2-hydroxyphenyl)-2-propen-1-one or 2-aryl-8-bromo-6-chlorochroman-4-one could be reacted under Mannich conditions yielding 2-aryl-8-bromo-6-chloro-3-methylenechroman-4-one, which was further converted to the target compound via an aza-Michael reaction followed by an SeO(2) oxidation. This procedure represents a new method to introduce a primary aminomethyl group at the 3-position of a 2-arylchromone scaffold. The Cbz-protected 3-aminomethyl-2-aryl-8-bromo-6-chlorochromones can, e.g., be used in the synthesis of chromone-based beta-turn peptidomimetics. 相似文献
962.
Bertaccini EJ Trudell JR Lindahl E 《Journal of chemical information and modeling》2007,47(4):1572-1579
Predicting collective dynamics and structural changes in biological macromolecules is pivotal toward a better understanding of many biological processes. Limitations due to large system sizes and inaccessible time scales have prompted the development of alternative techniques for the calculation of such motions. In this work, we present the results of a normal-mode analysis technique based on molecular mechanics that enables the calculation of accurate force-field based vibrations of extremely large molecules and compare it with two elastic network approximate models. When applied to the glycine alpha1 receptor, all three normal-mode analysis algorithms demonstrate an "iris-like" gating motion. Such gating motions have implications for understanding the effects of anesthetic and other ligand binding sites and for the means of transducing agonist binding into ion channel opening. Unlike the more approximate methods, molecular mechanics based analyses can also reveal approximate vibrational frequencies. Such analyses may someday allow the use of protein dynamics elucidated via normal-mode calculations as additional endpoints for future drug design. 相似文献
963.
Martena MJ van der Wielen JC van de Laak LF Konings EJ de Groot HN Rietjens IM 《Analytical and bioanalytical chemistry》2007,389(1):263-275
In traditional chinese medicine several Aristolochia species are used. Aristolochia spp. contain a mixture of aristolochic acids (AAs), mainly AA I and AA II which are nephrotoxicants and carcinogens. After
AA-related nephropathy (AAN) and urothelial cancer were described in female patients in Belgium following intake of AA-contaminated
herbal preparations, herbs with AAs were prohibited worldwide. Confusing nomenclature can cause AA contamination of certain
Chinese traditional herbal preparations (THPs). Here we report the results of investigations by the Dutch Food and Consumer
Product Safety Authority (VWA) into the presence of AAs in THPs sampled on the Dutch market using a liquid-chromatography–-mass
spectrometry method. Between 2002 and 2006 we sampled 190 Chinese THPs using recent information on Chinese THPs potentially
containing AAs. AA I was found in 25 samples up to a concentration of 1,676 mg/kg. AA II was also found in 13 of these samples
up to 444 mg/kg. All 25 positive samples including Mu Tong, Fang Ji, Tian Xian Teng and Xi Xin were part of a group of 68 THPs
identified as possibly containing AAs. In a worst-case scenario, use of a sample of Mu Tong with the highest AA content over
a 7-day period would result in the same intake levels of AAs which significantly raised the cancer risk in the Belgian AAN
cases. Our results show that contaminated THPs still can be found on the market following worldwide publicity. Therefore,
it can be concluded that testing of possibly AA-contaminated THPs is still essential.
Figure Various Chinese Herbs 相似文献
964.
Koppitz M Pollney D Reisswig C Rezzolla L Thornburg J Diener P Schnetter E 《Physical review letters》2007,99(4):041102
The final evolution of a binary-black-hole system gives rise to a recoil velocity if an asymmetry is present in the emitted gravitational radiation. Measurements of this effect for nonspinning binaries with unequal masses have pointed out that kick velocities approximately 175 km/s can be reached for a mass ratio approximately 0.36. However, a larger recoil can be obtained for equal-mass binaries if the asymmetry is provided by the spins. Using two independent methods we show that the merger of such binaries yields velocities as large as approximately 440 km/s for black holes having unequal spins that are antialigned and parallel to the orbital angular momentum. 相似文献
965.
Loud, pulsed "gecker" vocalizations are commonly produced by young rhesus macaques in distressful circumstances. The acoustics, usage, and responses associated with these calls were examined using audio recordings and observational data from captive, socially living rhesus up to 24 months old. One-hundred-eleven gecker bouts were recorded from ten individuals (six males, four females), with most geckers produced during the first 6 months of age. A gecker call consisted of a bout of up to 28 pulses of spectrally structured noise with a single prominent frequency peak. Nine contexts of calling were identified, but little evidence of context-specific acoustic variation was found. While geckering often triggered responses by the vocalizer's mother, the most common outcome was the absence of any reaction. Females geckered longer and at higher rates than did males, while also showing acoustic evidence of greater vocal effort. Mothers nonetheless responded more often and more positively to males. Overall, results show that gecker acoustics vary somewhat with vocalizer sex, age, and likely arousal level, but do not reflect detailed aspects of behavioral context. Circumstances of production suggest that geckers function primarily to draw the attention of mothers, who in turn are selective in responding. 相似文献
966.
Synthesis,Antiproliferative, and c‐Src Kinase Inhibitory Activities of 4‐Oxo‐4H‐1‐benzopyran Derivatives
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Karam Chand Rakesh K Tiwari Sumit Kumar Amir Nasrolahi Shirazi Sweta Sharma Erik V Van der Eycken Virinder S Parmar Keykavous Parang Sunil K Sharma 《Journal of heterocyclic chemistry》2015,52(2):562-572
A new class of 4‐oxo‐4H‐1‐benzopyran derivatives were synthesized and their antiproliferative activity examined against a panel of three human cancer cell lines, that is, breast carcinoma (MDA‐MB‐468), ovarian adenocarcinoma (SK‐OV‐3), and colorectal adenocarcinoma (HT‐29). Two compounds, that is, 3‐hexyl‐7,8‐dihydroxy‐4‐oxo‐4H‐1‐benzopyran and (E)‐ethyl 3‐(7‐methoxy‐4‐oxo‐4H‐1‐benzopyran‐3‐yl)acrylate were found to be potent against all three cancer cell lines studied at 50 μM concentration. Also, the inhibitory potency of the compounds was evaluated against active Src kinase. A few of these compounds exhibited modest Src kinase inhibitory activity (IC50 = 52–57 μM). Structure‐activity relationship studies with respect to the nature and position of substituents on the lead compounds could be further exploited for the design and development of more potent antiproliferative agents and/or Src kinase inhibitors. 相似文献
967.
Ing. Jean‐Philippe Couturier Dr. Martin Sütterlin Prof. Dr. André Laschewsky Dr. Cornelia Hettrich Dr. Erik Wischerhoff 《Angewandte Chemie (International ed. in English)》2015,54(22):6641-6644
Dual responsive inverse opal hydrogels were designed as autonomous sensor systems for (bio)macromolecules, exploiting the analyte‐induced modulation of the opal’s structural color. The systems that are based on oligo(ethylene glycol) macromonomers additionally incorporate comonomers with various recognition units. They combine a coil‐to‐globule collapse transition of the LCST type with sensitivity of the transition temperature toward molecular recognition processes. This enables the specific detection of macromolecular analytes, such as glycopolymers and proteins, by simple optical methods. While the inverse opal structure assists the effective diffusion even of large analytes into the photonic crystal, the stimulus responsiveness gives rise to strong shifts of the optical Bragg peak of more than 100 nm upon analyte binding at a given temperature. The systems’ design provides a versatile platform for the development of easy‐to‐use, fast, and low‐cost sensors for pathogens. 相似文献
968.
Erik Koelink 《Indagationes Mathematicae》2003,14(3-4):423
The second order hypergeometric q-difference operator is studied for the value c = −q. For certain parameter regimes the corresponding recurrence relation can be related to a symmetric operator on the Hilbert space ℓ2(
). The operator has deficiency indices (1, 1) and we describe as explicitly as possible the spectral resolutions of the self-adjoint extensions. This gives rise to one-parameter orthogonality relations for sums of two 21-series. In particular, we find that the Ismail-Zhang q-analogue of the exponential function satisfies certain orthogonality relations. 相似文献
969.
Houlind K Schroeder AP Stødkilde-Jørgensen H Paulsen PK Egeblad H Pedersen EM 《Magnetic resonance imaging》2002,20(3):249-260
This article aims to describe early left ventricular diastolic inflow using magnetic resonance velocity mapping in patients with recent acute myocardial infarction and in normal volunteers. Magnetic resonance velocity mapping was performed in a long axis plane through the hearts of 46 patients with recent, first time acute myocardial infarction and 43 age-matched normal volunteers. The peak velocities at six levels of the early diastolic inflow stream were recorded. A velocity index was calculated as the peak velocity in each position relative to the peak velocity at the mitral leaflet tips. Also, the temporal delay of velocity propagation was computed. Velocity index 4 cm downstream of mitral leaflet tips was lower in the acute myocardial infarction group (0.42 (0.17)) (mean (SD)) compared to controls (0.59 (0.25)) (p < 0.001). Temporal delay in the same position was longer in the acute myocardial infarction group (62 (67) ms) than in controls (32 (39) ms) (p < 0.02). Blood flow patterns in patients after acute myocardial infarction were characterized by increased dispersion of velocities and increased temporal delay of velocity propagation, probably reflecting impaired active left ventricular relaxation. Intraventricular flow measurements constitute a promising new technique for non-invasive assessment of left ventricular diastolic function. 相似文献
970.
Three-dimensional phase contrast velocity mapping acquisition improves wall shear stress estimation in vivo 总被引:1,自引:0,他引:1
The purpose of this study was to evaluate and apply high-resolution three-dimensional phase contrast mapping for estimation of wall shear stress in vivo. A silicon pipe of 8 mm diameter with a 8.3 ml/s steady flow and the entrance of the carotid bifurcation in 10 young healthy volunteers aged 23.6 +/- 3.1 years was studied. Very high resolution three-dimensional and two-dimensional phase contrast mapping sequences with spatial resolutions of 0.31 x 0.31 x 1.5 mm(3) and 0.31 x 0.31 x 3 mm(3), respectively, were compared in vivo and in vitro. Wall shear stress was calculated using multi-sectored, three-dimensional paraboloid fitting. In comparison to the two-dimensional measurements, the three-dimensional method with only half the slice thickness gave higher signal-to-noise ratio and velocity-to-noise ratios both in vivo and in vitro. Wall shear stress derived from the three-dimensional velocity measurements did not differ from the two-dimensional velocity measurements either in vitro or in vivo. Mean wall shear stress was lowest and oscillatory shear index was highest at the outer wall, towards the carotid bifurcation. Three-dimensional velocity mapping increases resolution and image quality and allows estimation of wall shear stress patterns circumferentially and longitudinally in human arteries. 相似文献