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Markus Bursch Lukas Kunze Dr. Amol M. Vibhute Dr. Andreas Hansen Prof. Dr. Kana M. Sureshan Dr. Peter G. Jones Prof. Dr. Stefan Grimme Prof. Dr. Daniel B. Werz 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(14):4627-4639
The noncovalent interactions between azides and oxygen-containing moieties are investigated through a computational study based on experimental findings. The targeted synthesis of organic compounds with close intramolecular azide–oxygen contacts yielded six new representatives, for which X-ray structures were determined. Two of those compounds were investigated with respect to their potential conformations in the gas phase and a possible significantly shorter azide–oxygen contact. Furthermore, a set of 44 high-quality, gas-phase computational model systems with intermolecular azide–pnictogen (N, P, As, Sb), –chalcogen (O, S, Se, Te), and –halogen (F, Cl, Br, I) contacts are compiled and investigated through semiempirical quantum mechanical methods, density functional approximations, and wave function theory. A local energy decomposition (LED) analysis is applied to study the nature of the noncovalent interaction. The special role of electrostatic and London dispersion interactions is discussed in detail. London dispersion is identified as a dominant factor of the azide–donor interaction with mean London dispersion energy-interaction energy ratios of 1.3. Electrostatic contributions enhance the azide–donor coordination motif. The association energies range from −1.00 to −5.5 kcal mol−1. 相似文献
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The sub-optimal Hankel norm approximation problem is solved under the assumptions that the system is given in terms of a triple of operators (–A, B, C), where–A is the infinitesimal generator of an exponentially stable, analytic semigroup on the Hilbert spaceZ,B L (
m
,Z
where –1<0,C L is obtained in terms of the system parameters–A, B, C. (Z,
p
), and the system is approximately controllable. An explicit parameterization of all solutions 相似文献
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Theodore?J?Price Michael?D?Louria Damaries?Candelario-Soto Gregory?O?Dussor Nathanial?A?Jeske Amol?M?Patwardhan Anibal?Diogenes Amanda?A?Trott Kenneth?M?Hargreaves Christopher?M?FloresEmail author 《BMC neuroscience》2005,6(1):4
Background
Nerve growth factor (NGF), glial cell line-derived neurotrophic factor (GDNF) and brain-derived neurotrophic factor (BDNF) all play important roles in the development of the peripheral sensory nervous system. Additionally, these growth factors are proposed to modulate the properties of the sensory system in the adult under pathological conditions brought about by nerve injury or inflammation. We have examined the effects of NGF, GDNF and BDNF on adult rat trigeminal ganglion (TG) neurons in culture to gain a better understanding of how these growth factors alter the cytochemical and functional phenotype of these neurons, with special attention to properties associated with nociception. 相似文献16.
Amol Sasane 《Journal of Mathematical Analysis and Applications》2010,370(2):703-715
We prove an abstract Nyquist criterion in a general set up. As applications, we recover various versions of the Nyquist criterion, some of which are new. 相似文献
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Amol Date Patrizia Pasini Sylvia Daunert 《Analytical and bioanalytical chemistry》2010,398(1):349-356
Bacterial whole-cell biosensing systems provide important information about the bioavailable amount of target analytes. They
are characterized by high sensitivity and specificity/selectivity along with rapid response times and amenability to miniaturization
as well as high-throughput analysis. Accordingly, they have been employed in various environmental and clinical applications.
The use of spore-based sensing systems offers the unique advantage of long-term preservation of the sensing cells by taking
advantage of the environmental resistance and ruggedness of bacterial spores. In this work, we have incorporated spore-based
whole-cell sensing systems into centrifugal compact disk (CD) microfluidic platforms in order to develop a portable sensing
system, which should enable the use of these hardy sensors for fast on-field analysis of compounds of interest. For that,
we have employed two spore-based sensing systems for the detection of arsenite and zinc, respectively, and evaluated their
analytical performance in the miniaturized microfluidic format. Furthermore, we have tested environmental and clinical samples
on the CD microfluidic platforms using the spore-based sensors. Germination of spores and quantitative response to the analyte
could be obtained in 2.5–3 h, depending on the sensing system, with detection limits of 1 × 10−7 M for arsenite and 1 × 10−6 M for zinc in both serum and fresh water samples. Incorporation of spore-based whole-cell biosensing systems on microfluidic
platforms enabled the rapid and sensitive detection of the analytes and is expected to facilitate the on-site use of such
sensing systems. 相似文献
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Hurth C Smith SD Nordquist AR Lenigk R Duane B Nguyen D Surve A Hopwood AJ Estes MD Yang J Cai Z Chen X Lee-Edghill JG Moran N Elliott K Tully G Zenhausern F 《Electrophoresis》2010,31(21):3510-3517
The microfluidic integration of an entire DNA analysis workflow on a fully integrated miniaturized instrument is reported using lab‐on‐a‐chip automation to perform DNA fingerprinting compatible with CODIS standard relevant to the forensic community. The instrument aims to improve the cost, duration, and ease of use to perform a “sample‐to‐profile” analysis with no need for human intervention. The present publication describes the operation of the three major components of the system: the electronic control components, the microfluidic cartridge and CE microchip, and the optical excitation/detection module. Experimental details are given to characterize the level of performance, stability, reliability, accuracy, and sensitivity of the prototype system. A typical temperature profile from a PCR amplification process and an electropherogram of a commercial size standard (GeneScan 500?, Applied Biosystems) separation are shown to assess the relevance of the instrument to forensic applications. Finally, we present a profile from an automated integrated run where lysed cells from a buccal swab were introduced in the system and no further human intervention was required to complete the analysis. 相似文献
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Aparna L. Joshi Pratiksha H. Roham Rooth Mhaske Mahadev Jadhav Kavitha Krishnadas Amol Kharat 《Natural product research》2015,29(23):2261-2264
Calotropis procera (family: Asclepiadaceae) contains cardiac glycosides which are cytotoxic to cancer cells. The extracts of C. procera have been reported to be cytotoxic to many cancer cell lines and this is the first report against the human skin melanoma cells (SK-MEL-2). The SK-MEL-2 cells treated with C. procera methanolic extract (CPME) were analysed for growth inhibition and apoptosis. The exposure of phosphatidylserine in apoptotic SK-MEL-2 was analysed by using the Annexin-V FITC flow cytometry method. In CPME-treated SK-MEL-2 cells, 19.6% of apoptotic and 58.3% dead cells were observed. The 15.97% and 15.85% of early apoptotic cells were found at 20 μg/mL of the ouabain and paclitaxel, respectively. Active caspases, nuclear degradation confirmed apoptotic SK-MEL-2 cells in time- and dose-dependent manner. The cell cycle analysis shows that CPME treated cells halt at G2/M phase. Significant cytotoxic activity of CPME against SK-MEL-2 may be attributed to its high cardenolide content. 相似文献
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Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers 总被引:1,自引:0,他引:1
Ramesh VV Roy A Vijayadas KN Kendhale AM Prabhakaran P Gonnade R Puranik VG Sanjayan GJ 《Organic & biomolecular chemistry》2011,9(2):367-369
This communication describes the development of conformationally constrained unnatural aromatic amino acids, constructed on rigid backbone wherein the carboxyl and amino groups project in two dimensions (planes) on the aromatic framework. Such a feature offers the possibility of design and development of conformationally ordered synthetic oligomers with intriguing structural architectures distinct from those classically observed. Furthermore, such amino acids will have the potential to extend the conformational space available for foldamer design with diverse backbone conformation and structural architectures. 相似文献