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排序方式: 共有684条查询结果,搜索用时 18 毫秒
1.
Dr. Wojciech Schönemann Dr. Jonathan Cramer Tobias Mühlethaler Dr. Brigitte Fiege Marleen Silbermann Dr. Said Rabbani Dr. Philipp Dätwyler Dr. Pascal Zihlmann Dr. Roman P. Jakob Dr. Christoph P. Sager Dr. Martin Smieško Dr. Oliver Schwardt Prof. Dr. Timm Maier Prof. Dr. Beat Ernst 《ChemMedChem》2019,14(7):749-757
Antimicrobial resistance has become a serious concern for the treatment of urinary tract infections. In this context, an anti-adhesive approach targeting FimH, a bacterial lectin enabling the attachment of E. coli to host cells, has attracted considerable interest. FimH can adopt a low/medium-affinity state in the absence and a high-affinity state in the presence of shear forces. Until recently, mostly the high-affinity state has been investigated, despite the fact that a therapeutic antagonist should bind predominantly to the low-affinity state. In this communication, we demonstrate that fluorination of biphenyl α-d -mannosides leads to compounds with perfect π–π stacking interactions with the tyrosine gate of FimH, yielding low nanomolar to sub-nanomolar KD values for the low- and high-affinity states, respectively. The face-to-face alignment of the perfluorinated biphenyl group of FimH ligands and Tyr48 was confirmed by crystal structures as well as 1H,15N-HSQC NMR analysis. Finally, fluorination improves pharmacokinetic parameters predictive for oral availability. 相似文献
2.
Marcus Heinze Sandra Starke Marcel Händler Hartmut Komber Marco Drache Norbert Moszner Brigitte Voit Doris Pospiech 《应用聚合物科学杂志》2019,136(48):48256
We demonstrate in this study that the combination of modern inline monitoring methods [here: inline nuclear magnetic resonance (NMR)] with simulations gains more exact and profound kinetic results than previously used methods like linearization without that combination. The 1H-NMR spectroscopic data (more than 100 data points) are used to construct the copolymerization diagram. The reactivity ratios are obtained applying the van Herks nonlinear least square method. The examination of the radical copolymerization of 2-hydroxyethyl methacrylate (HEMA) with (2-{[2-(ethoxycarbonyl)prop-2-en-1-yl]oxy}ethyl) phosphonic acid (ECPPA) as important adhesive monomer used in dentistry yields reactivity ratios of rHEMA = 1.83; rECPPA = 0.42. The copolymerization diagram reflects nonideal, non-azeotropic copolymerization. The sequence distribution of the obtained by Monte Carlo simulation indicates the generation of statistical copolymers. As an important finding, it is demonstrated that the repeating units responsible for etching and adhesion are arranged over the whole polymer chain, which is necessary to achieve proper functionality. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 48256. 相似文献
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Poly(vinylidene fluoride) (PVDF) based nanocomposites with different surface-functionalized multi-walled carbon nanotubes (MWCNTs) were prepared by melt mixing in a small scale compounder. With the incorporation of commercial functionalized MWCNTs, the β-phase in PVDF can be directly achieved from melt cooling, as verified by results of Fourier transform infrared spectrum and X-ray diffraction. Interestingly, nanocomposites with amino group functionalized MWCNTs showed the highest percentage of β-phase (17.4%) formation in PVDF, followed by those with hydroxyl groups (11.6%) and unmodified MWCNTs (9.4%). However, the nanocomposites containing MWCNTs with carboxyl groups which were thought to be able to well interact with the dipoles on PVDF chains have the lowest amount of β-phase, i.e. 4.7%. The analysis on the mechanism of the influence of surface functionalization of MWCNTs on the formation of β-phase in PVDF shows that the combined effects of the dispersion of MWCNTs and the nanotube–polymer interactions account for the formation of the β-phase in PVDF. 相似文献
6.
Lazaros Tzounis Titus Gärtner Marco Liebscher Petra Pötschke Manfred Stamm Brigitte Voit Gert Heinrich 《Polymer》2014
The thermoelectric properties of melt-processed nanocomposites consisting of a polycarbonate (PC) thermoplastic matrix filled with commercially available carboxyl (–COOH) functionalized multi-walled carbon nanotubes (MWCNTs) were evaluated. MWCNTs carrying carboxylic acid moieties (MWCNT-COOH) were used due the p-doping that the carboxyl groups facilitate, via electron withdrawing from the electron-rich π-conjugated system. Preliminary thermogravimetric analysis (TGA) of MWCNT-COOH revealed that the melt-mixing was limited at low temperatures due to thermal decomposition of the MWCNT functional groups. Therefore, PC was mixed with 2.5 wt% MWCNT-COOH (PC/MWCNT-COOH) at 240 °C and 270 °C. In order to reduce the polymer melt viscosity, a cyclic butylene terephthalate (CBT) oligomer was utilized as an additive, improving additionally the electrical conductivity of the nanocomposites. The melt rheological characterization of neat PC and PC/CBT blends demonstrated a significant decrease of the complex viscosity by the addition of CBT (10 wt%). Optical and transmission electron microscopy (OM, TEM) depicted an improved MWCNT dispersion in the PC/CBT polymer blend. The electrical conductivity was remarkably higher for the PC/MWCNT-COOH/CBT composites compared to the PC/MWCNT-COOH ones. Namely, the PC/MWCNT-COOH/CBT processed at 270 °C exhibited the best values with electrical conductivity; σ = 0.05 S/m, Seebeck coefficient; S = 13.55 μV/K, power factor; PF = 7.60 × 10−6μW/m K−2, and thermoelectric figure of merit; ZT = 7.94 × 10−9. The PC/MWCNT-COOH/CBT nanocomposites could be ideal candidates for large-scale thermal energy harvesting, even though the presently obtained ZT values are still too low for commercial applications. 相似文献
7.
Christine Bressy Claire Hellio Minh Ngoc Nguyen Brigitte Tanguy Jean-Philippe Maréchal André Margaillan 《Progress in Organic Coatings》2014
This work focuses on the assessment of the erosion properties and antifouling (AF) performance of silyl ester copolymer-based coatings through laboratory and field tests. Silyl ester diblock copolymers were synthesized via the reversible addition-fragmentation chain transfer polymerization and were selected as binders for developing copper-free chemically active coatings. AF coatings were subsequently prepared using biocides (Sea-Nine™ 211, Preventol® A4S, and zinc pyrithione). Laboratory-based bioassays, targeting the growth of selected microorganisms (bacteria and microalgae) and barnacle settlement, highlighted that the silyl ester methacrylic-based binders did not inhibit the growth of microorganisms, are essentially non-toxic to nauplii and reduced the settlement of Amphibalanus amphitrite cyprids. The corresponding biocidal coatings are potent toward bacteria and diatoms but were demonstrated to be toxic against the barnacle larvae. Field test results showed variations with geographical locations: in sub-tropical area, the silyl ester methacrylic-based coatings failed to inhibit the settlement of barnacles; however, field tests performed in Mediterranean Sea for 18 months demonstrated that biocidal silyl ester methacrylic-based coatings were promising candidates. 相似文献
8.
Reduced percolation concentration in polypropylene/expanded graphite composites: Effect of viscosity and polypyrrole 下载免费PDF全文
Jürgen Pionteck Elixana Maria Melchor Valdez Francesco Piana Mária Omastová Adriaan Stephanus Luyt Brigitte Voit 《应用聚合物科学杂志》2015,132(20)
With the goal to obtain material combining electrical and thermal conductivity at low filler loadings, composites based on polypropylenes (PP) and expanded graphite (EG) have been prepared. The effects of matrix viscosity and of coating the EG particles with polypyrrole (PPy, EG/PPy = 37.5/62.5 by weight) on the EG dispersibility and formation of percolation structures have been analyzed. When increasing the EG amount from 6 to 8 wt %, the electrical conductivity of PP/EG composites increased by 7–9 orders of magnitude, independent of matrix viscosity. When EG‐PPy is added, percolation was observed between 8 and 12 wt % EG‐PPy (3 and 4.5 wt % EG) in case of PP with higher viscosity and 6 wt % EG (2.25 wt % EG) in case of PP with lower viscosity, exhibiting a strong synergistic effect of EG and PPy in the latter case. In contrast, PPy does not contribute to reduction of thermal percolation concentration. Thermal percolation is observed at 8 wt % EG in PP/EG composites, but no percolation was found in PP/EG‐PPy composites with EG‐PPy contents of up to 20 wt %, corresponding to 7.5 wt % EG. Analyzing the melt rheology it becomes clear that the contribution of PPy to the formation of a filler network is strongly dependent on the matrix viscosity. The comparison of thermal, electrical and rheological percolation reveals that PPy participates in electron transport reducing the electrical percolation but not to heat transport. Overall, we found a good correlation between electrical, thermal, and melt rheological percolation concentrations. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41994. 相似文献
9.
The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X‐ray Crystallography 下载免费PDF全文
Dr. Brigitte Fiege Dr. Said Rabbani Dr. Roland C. Preston Dr. Roman P. Jakob Pascal Zihlmann Dr. Oliver Schwardt Dr. Xiaohua Jiang Prof. Timm Maier Prof. Beat Ernst 《Chembiochem : a European journal of chemical biology》2015,16(8):1235-1246
Urinary tract infections caused by uropathogenic E. coli are among the most prevalent infectious diseases. The mannose‐specific lectin FimH mediates the adhesion of the bacteria to the urothelium, thus enabling host cell invasion and recurrent infections. An attractive alternative to antibiotic treatment is the development of FimH antagonists that mimic the physiological ligand. A large variety of candidate drugs have been developed and characterized by means of in vitro studies and animal models. Here we present the X‐ray co‐crystal structures of FimH with members of four antagonist classes. In three of these cases no structural data had previously been available. We used NMR spectroscopy to characterize FimH–antagonist interactions further by chemical shift perturbation. The analysis allowed a clear determination of the conformation of the tyrosine gate motif that is crucial for the interaction with aglycone moieties and was not obvious from X‐ray structural data alone. Finally, ITC experiments provided insight into the thermodynamics of antagonist binding. In conjunction with the structural information from X‐ray and NMR experiments the results provide a mechanism for the often‐observed enthalpy–entropy compensation of FimH antagonists that plays a role in fine‐tuning of the interaction. 相似文献
10.
Gabriel Rinnerthaler Hubert Hackl Simon Peter Gampenrieder Frank Hamacher Clemens Hufnagl Cornelia Hauser-Kronberger Franz Zehentmayr Gerd Fastner Felix Sedlmayer Brigitte Mlineritsch Richard Greil 《International journal of molecular sciences》2016,17(2)
For quantitative microRNA analyses in formalin-fixed paraffin-embedded (FFPE) tissue, expression levels have to be normalized to endogenous controls. To investigate the most stably-expressed microRNAs in breast cancer and its surrounding tissue, we used tumor samples from primary tumors and from metastatic sites. MiRNA profiling using TaqMan® Array Human MicroRNA Cards, enabling quantification of 754 unique human miRNAs, was performed in FFPE specimens from 58 patients with metastatic breast cancer. Forty-two (72%) samples were collected from primary tumors and 16 (28%) from metastases. In a cross-platform analysis of a validation cohort of 32 FFPE samples from patients with early breast cancer genome-wide microRNA expression analysis using SurePrintG3 miRNA (8 × 60 K)® microarrays from Agilent® was performed. Eleven microRNAs could be detected in all samples analyzed. Based on NormFinder and geNorm stability values and the high correlation (rho ≥ 0.8) with the median of all measured microRNAs, miR-16-5p, miR-29a-3p, miR-126-3p, and miR-222-3p are suitable single gene housekeeper candidates. In the cross-platform validation, 29 human microRNAs were strongly expressed (mean log2-intensity > 10) and 21 of these microRNAs including miR-16-5p and miR-29a-3p were also stably expressed (CV < 5%). Thus, miR-16-5p and miR-29a-3p are both strong housekeeper candidates. Their Normfinder stability values calculated across the primary tumor and metastases subgroup indicate that miR-29a-3p can be considered as the strongest housekeeper in a cohort with mainly samples from primary tumors, whereas miR-16-5p might perform better in a metastatic sample enriched cohort. 相似文献