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121.
Prof. Dr. Frank Heinrich Aria Salyapongse Akari Kumagai Dr. Fernando G. Dupuy Karpur Shukla Dr. Anja Penk Prof. Dr. Daniel Huster Prof. Dr. Robert K. Ernst Dr. Anna Pavlova Prof. Dr. James C. Gumbart Prof. Dr. Berthony Deslouches Prof. Dr. Y. Peter Di Prof. Dr. Stephanie Tristram-Nagle 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(28):6247-6256
In the quest for new antibiotics, two novel engineered cationic antimicrobial peptides (eCAPs) have been rationally designed. WLBU2 and D8 (all 8 valines are the d -enantiomer) efficiently kill both Gram-negative and -positive bacteria, but WLBU2 is toxic and D8 nontoxic to eukaryotic cells. We explore protein secondary structure, location of peptides in six lipid model membranes, changes in membrane structure and pore evidence. We suggest that protein secondary structure is not a critical determinant of bactericidal activity, but that membrane thinning and dual location of WLBU2 and D8 in the membrane headgroup and hydrocarbon region may be important. While neither peptide thins the Gram-negative lipopolysaccharide outer membrane model, both locate deep into its hydrocarbon region where they are primed for self-promoted uptake into the periplasm. The partially α-helical secondary structure of WLBU2 in a red blood cell (RBC) membrane model containing 50 % cholesterol, could play a role in destabilizing this RBC membrane model causing pore formation that is not observed with the D8 random coil, which correlates with RBC hemolysis caused by WLBU2 but not by D8. 相似文献
122.
123.
Cover Picture: A new topological insulator built from quasi one‐dimensional atomic ribbons (Phys. Status Solidi RRL 2/2015) 下载免费PDF全文
124.
This systematic review and meta-analysis examined recent articles that have used the 1995 Draw-A-Scientist Checklist (DAST-C). This study was focused on the current state of students' stereotypes of scientists and the appropriateness of the DAST-C as a tool to assess these perceptions. Articles included in the review were published between 2003 and 2018, resulting in n = 30 studies. Mean results across studies are presented to describe current stereotypes of scientists, and the current format of the DAST-C is evaluated. Findings suggest that students' perceptions of scientists have largely remained consistent across time: scientists are still perceived as Caucasian, middle-aged or elderly males who wear lab coats and work indoors. However, while the DAST-C is a generally appropriate measure to assess students' perceptions of scientists, recommended revisions to the DAST-C could assist in capturing more modern scientist stereotypes and culturally bound perceptions of scientists. 相似文献
125.
Stephanie M. Delgado Sam C. P. Norris Andrea M. Kasko 《Journal of polymer science. Part A, Polymer chemistry》2022,60(5):825-841
Hydrogels are attractive materials for generating 4D shapes due to their ability to undergo pronounced volume changes in response to several stimuli, including light. We previously reported shape-changing hydrogels actuated by long-wave UV and visible light in the presence of live cells using poly(ethylene glycol) macromers incorporating different photodegradable ortho-nitrobenzyl (o-NB) groups. In this comprehensive study, we determine the effect of chemical structure of different o-NB macromers (which influences molar absorptivity and rate constant of degradation), composition (macromer weight percent), fabrication design (initial gel thickness) and environment (ionic strength of solution) on light-induced hydrogel folding. We demonstrate successful photopolymerization and subsequent photodegradation of hydrogels, multistep folding, and live-cell encapsulation. This hydrogel system may be useful as new tool in stem cell differentiation and developmental biology research, facilitating the in vitro investigation of processes that are sensitive to both physical and temporal stimuli. 相似文献
126.
A Computational Study of Vicinal Fluorination in 2,3‐Difluorobutane: Implications for Conformational Control in Alkane Chains 下载免费PDF全文
Dr. Stephen J. Fox Dr. Stephanie Gourdain Anton Coulthurst Clare Fox Dr. Ilya Kuprov Prof. Jonathan W. Essex Dr. Chris‐Kriton Skylaris Dr. Bruno Linclau 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(4):1682-1691
A comprehensive conformational analysis of both 2,3‐difluorobutane diastereomers is presented based on density functional theory calculations in vacuum and in solution, as well as NMR experiments in solution. While for 1,2‐difluoroethane the fluorine gauche effect is clearly the dominant effect determining its conformation, it was found that for 2,3‐difluorobutane there is a complex interplay of several effects, which are of similar magnitude but often of opposite sign. As a result, unexpected deviations in dihedral angles, relative conformational energies and populations are observed which cannot be rationalised only by chemical intuition. Furthermore, it was found that it is important to consider the free energies of the various conformers, as these lead to qualitatively different results both in vacuum and in solvent, when compared to calculations based only on the electronic energies. In contrast to expectations, it was found that vicinal syn‐difluoride introduction in the butane and by extension, longer hydrocarbon chains, is not expected to lead to an effective stabilisation of the linear conformation. Our findings have implications for the use of the vicinal difluoride motif for conformational control. 相似文献
127.
Kevin F. Morris Eugene J. Billiot Fereshteh H. Billiot Jordan A. Ingle Stephanie R. Zack Kevin B. Krause 《Journal of Dispersion Science and Technology》2018,39(1):45-54
Molecular dynamics simulations were used to characterize the binding of the chiral drugs chlorthalidone and lorazepam to the molecular micelle poly-(sodium undecyl-(L)-leucine-valine). The project’s goal was to characterize the nature of chiral recognition in capillary electrophoresis separations that use molecular micelles as the chiral selector. The shapes and charge distributions of the chiral molecules investigated, their orientations within the molecular micelle chiral binding pockets, and the formation of stereoselective intermolecular hydrogen bonds with the molecular micelle were all found to play key roles in determining where and how lorazepam and chlorthalidone enantiomers interacted with the molecular micelle. 相似文献
128.
The N‐Methylpyrrolidone (NMP) Effect in Iron‐Catalyzed Cross‐Coupling with Simple Ferric Salts and MeMgBr 下载免费PDF全文
Dr. Salvador B. Muñoz III Dr. Stephanie L. Daifuku Jeffrey D. Sears Tessa M. Baker Stephanie H. Carpenter Dr. William W. Brennessel Prof. Michael L. Neidig 《Angewandte Chemie (International ed. in English)》2018,57(22):6496-6500
The use of N‐methylpyrrolidone (NMP) as a co‐solvent in ferric salt catalyzed cross‐coupling reactions is crucial for achieving the highly selective, preparative scale formation of cross‐coupled product in reactions utilizing alkyl Grignard reagents. Despite the critical importance of NMP, the molecular level effect of NMP on in situ formed and reactive iron species that enables effective catalysis remains undefined. Herein, we report the isolation and characterization of a novel trimethyliron(II) ferrate species, [Mg(NMP)6][FeMe3]2 ( 1 ), which forms as the major iron species in situ in reactions of Fe(acac)3 and MeMgBr under catalytically relevant conditions where NMP is employed as a co‐solvent. Importantly, combined GC analysis and 57Fe Mössbauer spectroscopic studies identified 1 as a highly reactive iron species for the selective formation generating cross‐coupled product. These studies demonstrate that NMP does not directly interact with iron as a ligand in catalysis but, alternatively, interacts with the magnesium cations to preferentially stabilize the formation of 1 over [Fe8Me12]? cluster generation, which occurs in the absence of NMP. 相似文献
129.
Christoph Englert Dr. Ivo Nischang Cornelia Bader Philipp Borchers Julien Alex Michael Pröhl Martin Hentschel Dr. Matthias Hartlieb Dr. Anja Traeger Prof. Dr. Georg Pohnert Dr. Stephanie Schubert Dr. Michael Gottschaldt Prof. Dr. Ulrich S. Schubert 《Angewandte Chemie (International ed. in English)》2018,57(9):2479-2482
A benzoin‐derived diol linker was synthesized and used to generate biocompatible polyesters that can be fully decomposed on demand upon UV irradiation. Extensive structural optimization of the linker unit was performed to enable the defined encapsulation of diverse organic compounds in the polymeric structures and allow for a well‐controllable polymer cleavage process. Selective tracking of the release kinetics of encapsulated model compounds from the polymeric nano‐ and microparticle containers was performed by confocal laser scanning microscopy in a proof‐of‐principle study. The physicochemical properties of the incorporated and released model compounds ranged from fully hydrophilic to fully hydrophobic. The demonstrated biocompatibility of the utilized polyesters and degradation products enables their use in advanced applications, for example, for the smart packaging of UV‐sensitive pharmaceuticals, nutritional components, or even in the area of spatially selective self‐healing processes. 相似文献
130.
Stephanie D. Warner Anne-Marie Lebuis Jean-Pierre Farant Ian S. Butler 《Journal of chemical crystallography》2003,33(3):213-217
In 6-nitrobenzo(a)pyrene, an environmental pollutant, the nitro substituent lies at 69.5(1) to the mean plane of the aromatic moiety. The C–C bond distances range from 1.341(3) to 1.443(3) Å. The crystal is in the monoclinic space group, P21/c, with a = 8.3239(3) Å, b = 8.9530(3) Å, c = 18.0678(5) Å, = 99.264(2) and Z = 4. Molecules are assembled in sheets in the unit cell through stacking and alternating C–H O interactions. 相似文献