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1.
Development of the new drugs often involves the screening of compound libraries for biological activity. Currently, the biologically active component can only be identified if either a pure compound is being tested or if the components of a mixture are spatially separated, for example, on beads. Here, we present an NMR technique based on the transferred nuclear Overhauser effect (transfer NOE) that allows identification and structural characterization of biologically active molecules from a mixture. As an example we demonstrate that from mixtures of oligosaccharides only alpha-L-Fuc-(1-->6)-beta-D-GlcNAc-OMe binds to Aleuria aurantia agglutinin. The sign of transferred NOEs is opposite to NOEs of small molecules that do not bind to the protein and, thus, an unequivocal identification of molecules with binding activity is possible. Normally, the selection of bound ligands is further facilitated in that the absolute intensity of transfer NOEs is much greater than that of NOEs of non-binding molecules. In addition, transfer NOEs provide information on the three-dimensional structure of the ligands in the bound state. Therefore, measuring transfer NOEs of mixtures of small molecules in the presence of large molecules, like proteins, should significantly enhance the options for screening mixtures of compounds for biological activity. 相似文献
2.
J. G. Zheng Xiaoqing Pan M. Schweizer U. Weimar W. Göpel M. Rühle 《Journal of Materials Science》1996,31(9):2317-2324
Atomic structures of crystallographic shear planes (CSPs) in nanocrystalline thin films of semiconductor SnO2 were investigated by high-resolution electron microscopy. The films were prepared by electron beam evaporation in high vacuum (10–6 torr) and followed by annealing in synthetic air at 700 °C for 1–2 H. CSPs with the displacement vector of [1/2 0 1/2] were observed in the planes parallel to (¯101), (110) and (¯3¯21). Most of the CPSs were found to terminate or interact with each other within SnO2 crystallites. Partial dislocations exist at terminal places of CSPs or along intersecting lines of CSPs. CSP steps were also observed. Structural models of these defects have been proposed. Based on analysis of experimental data, it has been suggested that the Sn/O ratio at CSPs which are not parallel to their displacement vector, at cores of partial dislocations and at CSP steps, is higher than that of the perfect structure, that is, these defects are able to provide extra free electrons with the films. 相似文献
3.
RJ Bergeron WR Weimar Q Wu Y Feng JS McManis 《Canadian Metallurgical Quarterly》1996,39(26):5257-5266
A series of analogues and homologues of spermine were synthesized, and their impact on MK-801 binding to the N-methyl-D-aspartate (NMDA) receptor was evaluated. These tetraamines encompass both linear and cyclic compounds. The linear molecules include norspermine, N1, N11-diethylnorspermine, N1,N12-bis(2,2,2-trifluoroethyl)spermine, homospermine, and N1,N14-diethylhomospermine. The cyclic tetraamines consist of the piperidine analogues N1,N3-bis(4-piperidinyl)-1,3-diaminopropane, N1,N4-bis(4-piperidinyl)-1,4-diaminobutane, N1,N4-bis(4-piperidinylmethyl)-1,4-diaminobutane, and N1,N4-bis[2-(4-piperidinyl)ethyl]-1,4-diaminobutane and the pyridine analogues N1,N3-bis(4-pyridyl)-1,3-diaminopropane, N1,N4-bis(4-pyridyl)-1,4-diaminobutane, N1,N4-bis(4-pyridylmethyl)-1,4-diaminobutane, and N1,N4-bis[2-(4-pyridyl)-ethyl]-1,4-diaminobutane. This structure-activity set makes it possible to establish the importance of charge, intercharge distance, and terminal nitrogen substitution on polyamine-regulated MK-801 binding in the NMDA channel. Four families of tetraamines are included in this set: norspermines, spermines, homospermines, and tetraazaoctadecanes. Calculations employing a SYBYL modeling program revealed that the distance between terminal nitrogens ranges between 12.62 and 19.61 A. The tetraamines are constructed such that within families cyclics and acyclics have similar lengths but different nitrogen pKa's and thus different protonation, or charge, states at physiological pH. The pKa values for all nitrogens of each molecule and its protonation state at physiological pH are described. The modifications at the terminal nitrogens include introduction of ethyl and beta,beta,beta-trifluoroethyl groups and incorporation into piperidinyl or pyridyl systems. The studies clearly indicate that polyamine length, charge, and terminal nitrogen substitution have a significant effect on how the tetraamine regulates MK-801 binding to the NMDA receptor. Thus a structure-activity basis set on which future design of MK-801 agonists and antagonists can be based is now available. 相似文献
4.
Vision is a significant factor in postural stability; this study is the first to report on the effect of OSHA regulated personal protective eyewear on physiological factors associated with postural stability. Twenty college students between the ages of 19 and 25 were randomly tested in each of three eyewear conditions (control, new, and artificially aged) using a NeuroCom Balance Master System and the mCTSIB protocol. Subjects were pre-tested with no eyewear (control) on each day followed by a 5-min assembly task with random eyewear assignment. Subjects were then post-tested following the same protocol while wearing the eyewear. Data were evaluated using a two (pre/post) x three (eyewear) repeated measures analysis of variance (ANOVA). There was a significant main effect for both the eyes open/firm flat surface, and eyes open/foam flat surface conditions (p 相似文献
5.
This investigation evaluated accumulated mean and peak impact forces per stride and per metre associated with two book backpack loads and two cadences during single and double support phases of walking. Thirty college participants randomly performed three trials while either walking a self-selected cadence or fixed cadence without (empty pack) or with a load (15% body mass) carried in a bookbag. The fixed cadence (55.5 steps/min) was regulated by a metronome. A computerized Kistler force platform system (phase-locked timing device) recorded (200 Hz) three-dimensional reaction forces, impulses, and time in single and double support phases. A Panasonic video camera AG-450 was set perpendicular to the plane of walking motion to film (60 Hz) the walking pattern from which stride length and selected kinematic data were determined. Repeated measure ANOVA (p<0.05) determined differences of loads and cadences in walking. Accumulated force was evaluated as impulses per stride and impulses per metre (stress index). When carrying the 15% load, there was a decrease in speed, a decrease in single support time (SST), and an increase in double support time (DST). The impulses per stride significantly increased in DST, and significantly decrease in SST. When impulses were analysed per metre, the stress index signficantly increased in DST, but not during SST. These differences in SST may be important when load stress is applied to the single support leg/foot in any given distance of walking. While stride analysis identifies accumulative forces resulting from varying stride lengths, the stress index provides a standardized measure per metre of the accumulative forces that negate the variances of individual stride lengths, and the index measure can easily represent data for any given distance traversed. 相似文献
6.
C. Eichler S.-S. Schad F. Scholz D. Hofstetter S. Miller A. Weimar A. Lell V. Harle 《Photonics Technology Letters, IEEE》2005,17(9):1782-1784
We present measurements on an aperiodic device-specific longitudinal-mode pattern in InGaN laser diodes. The characteristic shape of this pattern occurs only if the laser is driven slightly above threshold; in addition, it tunes with temperature at exactly the same rate as the cavity modes. By careful selection of the collection optics and averaging ten rapid scans over 15 min in a high-resolution Fourier transform spectrometer, we could exclude possible explanations like beating of mode families, self-pulsation, or external reflections. A naive simulation of the longitudinal modes profiting from their individual "gain profile" along the cavity suggests that we see the signature of quantum-well thickness fluctuations. 相似文献
7.
8.
Hae‐Ryong Kim Alexander Haensch Il‐Doo Kim Nicolae Barsan Udo Weimar Jong‐Heun Lee 《Advanced functional materials》2011,21(23):4402-4402
9.
We report the volatile composition of the body scent of male C57BL/6J mice in comparison to the volatile composition of their urine. From a total of 67 components, nitromethane, propanoic acid, dimethyldisulfide, 1-octene, 1-hexanol, hexanoic acid, indole, α- and β-farnesene, and one unidentified component were observed only in the volatiles from the body of mice. On the other hand, 3-penten-2-one, 3-methyl-2-buten-1-ol, 3-methyl-cyclopentanone, p-xylene, 3-hepten-2-one, 2,3-dehydro-exo-brevicomin, benzylmethylketone, and 13 unidentified components were only found in urine volatiles. All other substances were present in the volatiles of both mice and their urine. Aliphatic aldehydes from pentanal to decanal were prominent mouse odor components. Because receptors for these aldehydes have been extensively characterized in the main olfactory organ, these components may be important for mice in recognizing their conspecifics.Electronic Supplementary Material Supplementary material is available in the online version of this article at and is accessible for authorized users. 相似文献
10.
Suman Pokhrel Cristian E. Simion Valentin S. Teodorescu Nicolae Barsan Udo Weimar 《Advanced functional materials》2009,19(11):1767-1774
Widely applicable nonaqueous solution routes have been employed for the syntheses of crystalline nanostructured tungsten oxide particles from a tungsten hexachloride precursor. Here, a systematic study on the crystallization and assembly behavior of tungsten oxide products made by using the bioligand deferoxamine mesylate (DFOM) (product I ), the two chelating ligands hexadecyltrimethylammoniumbromide (CTAB) ( II ) and poly(alkylene oxide) block copolymer (Pluronic P123) ( III ) is presented. The mechanistic pathways for the material synthesis are also discussed in detail. The tungsten oxide nanomaterials and reaction solutions are characterized by Fourier transform IR, 1H, and 13C NMR spectroscopies, powder X‐ray diffraction, scanning electron microscopy, transmission electron microscopy (TEM), high‐resolution TEM, and selected‐area electron diffraction. The indexing of the line pattern suggests WO3 is in its monoclinic structure with a = 0.7297 nm, b = 0.7539 nm, c = 0.7688 nm, and β‐i; = 90.91 °. The nanoparticles formed have various architectures, such as chromosomal shapes (product I ) and slates ( II ), which are quite different from the mesoporous one ( III ) that has internal pores or mesopores ranging from 5 to 15 nm. The nanoparticles obtained from all the synthetic procedures are in the range of 40–60 nm. The investigation of the gas‐sensing properties of these materials indicate that all the sensors have good baseline stability and the sensors fabricated from material III present very different response kinetics and different CO detection properties. The possibility of adjusting the morphology and by that tuning the gas‐sensing properties makes the preparation strategies used interesting candidates for fabricating gas‐sensing materials. 相似文献