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71.
Fragment‐Based De Novo Design Reveals a Small‐Molecule Inhibitor of Helicobacter Pylori HtrA 下载免费PDF全文
Thomas P. Schmidt Dr. Manja Böhm Katharina Stutz Daniel Reker Dr. Bernhard Pfeiffer Prof. Dr. Karl‐Heinz Altmann Prof. Dr. Steffen Backert Prof. Dr. Silja Wessler Prof. Dr. Gisbert Schneider 《Angewandte Chemie (International ed. in English)》2015,54(35):10244-10248
Sustained identification of innovative chemical entities is key for the success of chemical biology and drug discovery. We report the fragment‐based, computer‐assisted de novo design of a small molecule inhibiting Helicobacter pylori HtrA protease. Molecular binding of the designed compound to HtrA was confirmed through biophysical methods, supporting its functional activity in vitro. Hit expansion led to the identification of the currently best‐in‐class HtrA inhibitor. The results obtained reinforce the validity of ligand‐based de novo design and binding‐kinetics‐guided optimization for the efficient discovery of pioneering lead structures and prototyping drug‐like chemical probes with tailored bioactivity. 相似文献
72.
Heterophase Photocatalysts from Water‐Soluble Conjugated Polyelectrolytes: An Example of Self‐Initiation under Visible Light 下载免费PDF全文
Saman Ghasimi Dr. Simon Prescher Zi Jun Wang Prof. Katharina Landfester Dr. Jiayin Yuan Dr. Kai A. I. Zhang 《Angewandte Chemie (International ed. in English)》2015,54(48):14549-14553
We herein report a new design route to stable, heterophase photocatalysts, which function as highly dispersible conjugated polymer nanoparticles and porous monoliths under visible light in aqueous medium. They were constructed by attachment of the ionic‐liquid species 1‐alkyl‐3‐vinylimidazolium bromide onto the side chains of a photoactive polymer. The structure configuration allows not only photocatalysis in aqueous environment but also a unique self‐initiation radical cross‐linking process to transform the water‐soluble photoactive polymer into a heterophase system, either as nanoparticles or a porous monolith. High photocatalytic activity and reusability of the heterophase system were demonstrated in the degradation of organic dyes and reduction of CrVI into CrIII in water under visible‐light irradiation. 相似文献
73.
Spontaneous Formation of Microgroove Arrays on the Surface of p‐Type Porous Silicon Induced by a Turing Instability in Electrochemical Dissolution 下载免费PDF全文
Prof. Dr. Kazuhiro Fukami Tomoko Urata Prof. Dr. Katharina Krischer Prof. Dr. Naoya Nishi Prof. Dr. Tetsuo Sakka Dr. Atsushi Kitada Prof. Dr. Kuniaki Murase 《Chemphyschem》2015,16(8):1613-1618
Self‐organization plays an imperative role in recent materials science. Highly tunable, periodic structures based on dynamic self‐organization at micrometer scales have proven difficult to design, but are desired for the further development of micropatterning. In the present study, we report a microgroove array that spontaneously forms on a p‐type silicon surface during its electrodissolution. Our detailed experimental results suggest that the instability can be classified as Turing instability. The characteristic scale of the Turing‐type pattern is small compared to self‐organized patterns caused by the Turing instabilities reported so far. The mechanism for the miniaturization of self‐organized patterns is strongly related to the semiconducting property of silicon electrodes as well as the dynamics of their surface chemistry. 相似文献
74.
Controlled Formation of Polymer Nanocapsules with High Diffusion‐Barrier Properties and Prediction of Encapsulation Efficiency 下载免费PDF全文
Ines Hofmeister Prof. Dr. Katharina Landfester Dr. Andreas Taden 《Angewandte Chemie (International ed. in English)》2015,54(1):327-330
Polymer nanocapsules with high diffusion‐barrier performance were designed following simple thermodynamic considerations. Hindered diffusion of the enclosed material leads to high encapsulation efficiencies (EEs), which was demonstrated based on the encapsulation of highly volatile compounds of different chemical natures. Low interactions between core and shell materials are key factors to achieve phase separation and a high diffusion barrier of the resulting polymeric shell. These interactions can be characterized and quantified using the Hansen solubility parameters. A systematic study of our copolymer system revealed a linear relationship between the Hansen parameter for hydrogen bonding (δh) and encapsulation efficiencies which enables the prediction of encapsulated amounts for any material. Furthermore EEs of poorly encapsulated materials can be increased by mixing them with a mediator compound to give lower overall δh values. 相似文献
75.
Inside Cover: Spontaneous Formation of Microgroove Arrays on the Surface of p‐Type Porous Silicon Induced by a Turing Instability in Electrochemical Dissolution (ChemPhysChem 8/2015) 下载免费PDF全文
76.
77.
Sujoy Bandyopadhyay Rmi Mtivier Pragyan Pallavi Eduard Preis Keitaro Nakatani Katharina Landfester Abhijit Patra Ullrich Scherf 《Macromolecular rapid communications》2016,37(3):271-277
Conjugated polymer nanoparticles based on poly[9,9‐bis(2‐ethylhexyl)fluorene] and poly[N‐(2,4,6‐trimethylphenyl)‐N,N‐diphenylamine)‐4,4′‐diyl] are fabricated using anionic surfactant sodium dodecylsulphate in water by miniemulsion technique. Average diameters of polyfluorene and polytriarylamine nanoparticles range from 70 to 100 and 100 to 140 nm, respectively. The surface of the nanoparticles is decorated with triplet emitting dye, tris(2,2′‐bipyridyl)ruthenium(II) chloride. Intriguing photophysics of aqueous dispersions of these hybrid nanoparticles is investigated. Nearly 50% quenching of fluorescence is observed in the case of dye‐coated polyfluorene nanoparticles; excitation energy transfer is found to be the dominant quenching mechanism. On the other hand, nearly complete quenching of emission is noticed in polytriarylamine nanoparticle‐dye hybrids. It is proposed that the excited state electron transfer from the electron‐rich polytriarylamine donor polymer to Ru complex leads to the complete quenching of emission of polytriarylamine nanoparticles. The current study offers promising avenues for developing aqueous solution processed‐electroluminescent devices involving a conjugated polymer nanoparticle host and Ru or Ir‐based triplet emitting dye as the guest.
78.
Froimowicz P Klinger D Landfester K 《Chemistry (Weinheim an der Bergstrasse, Germany)》2011,17(44):12465-12475
The use of reversible photo-cross-linkable nanoparticles as nano building blocks for the formulation of nanostructured self-healing thin hydrogel films is shown for the first time. This strategy for the fabrication of autonomous self-healing coatings consisted of various microgels bearing surface cinnamate moieties. The nanoparticles were formed by miniemulsion copolymerization, which was followed by surface functionalization with the cinnamate groups. These nanoparticles were then used to form films by drop-casting, followed by interparticle photo-cross-linking polymerization through the light-induced forward dimerization reaction of the previously incorporated cinnamate groups. The reversibility of this macroscopic network formation was also demonstrated by photoinducing the backward dimerization reaction and carrying out several cycles of photoinduced cross-linking and de-cross-linking. The self-healing ability through swelling of these films following surface damage was also demonstrated. Finally, the ability of these self-healing macroscopic films to incorporate additives of different chemical nature before photo-cross-linking was evaluated. 相似文献
79.
Bissinger P Braunschweig H Damme A Dewhurst RD Kupfer T Radacki K Wagner K 《Journal of the American Chemical Society》2011,133(47):19044-19047
A novel NHC adduct of a dihalodiborane(4), 1, is reduced by KC(8) with formation of the five-membered boracycle 2. The reaction most likely proceeds via C-H insertion of an intermediate NHC-stabilized free bora-borylene species. 相似文献
80.
Real-time PCR (qPCR) is the principal technique for the quantification of pathogen biomass in host tissue, yet no generic
methods exist for the determination of the limit of quantification (LOQ) and the limit of detection (LOD) in qPCR. We suggest
using the Youden index in the context of the receiver operating characteristic (ROC) curve analysis for this purpose. The
LOQ was defined as the amount of target DNA that maximizes the sum of sensitivity and specificity. The LOD was defined as
the lowest amount of target DNA that was amplified with a false-negative rate below a given threshold. We applied this concept
to qPCR assays for Fusarium verticillioides and Fusarium proliferatum DNA in maize kernels. Spiked matrix and field samples characterized by melting curve analysis of PCR products were used as
the source of true positives and true negatives. On the basis of the analysis of sensitivity and specificity of the assays,
we estimated the LOQ values as 0.11 pg of DNA for spiked matrix and 0.62 pg of DNA for field samples for F. verticillioides. The LOQ values for F. proliferatum were 0.03 pg for spiked matrix and 0.24 pg for field samples. The mean LOQ values correspond to approximately eight genomes
for F. verticillioides and three genomes for F. proliferatum. We demonstrated that the ROC analysis concept, developed for qualitative diagnostics, can be used for the determination
of performance parameters of quantitative PCR. 相似文献