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921.
Olena Dobrovolska
yvind Strmland
rjan Sele Handegrd Martin Jakubec Morten L. Govasli ge Aleksander Skjevik Nils ge Frystein Knut Teigen
yvind Halskau 《Molecules (Basel, Switzerland)》2021,26(12)
The driving forces and conformational pathways leading to amphitropic protein-membrane binding and in some cases also to protein misfolding and aggregation is the subject of intensive research. In this study, a chimeric polypeptide, A-Cage-C, derived from α-Lactalbumin is investigated with the aim of elucidating conformational changes promoting interaction with bilayers. From previous studies, it is known that A-Cage-C causes membrane leakages associated with the sporadic formation of amorphous aggregates on solid-supported bilayers. Here we express and purify double-labelled A-Cage-C and prepare partially deuterated bicelles as a membrane mimicking system. We investigate A-Cage-C in the presence and absence of these bicelles at non-binding (pH 7.0) and binding (pH 4.5) conditions. Using in silico analyses, NMR, conformational clustering, and Molecular Dynamics, we provide tentative insights into the conformations of bound and unbound A-Cage-C. The conformation of each state is dynamic and samples a large amount of overlapping conformational space. We identify one of the clusters as likely representing the binding conformation and conclude tentatively that the unfolding around the central W23 segment and its reorientation may be necessary for full intercalation at binding conditions (pH 4.5). We also see evidence for an overall elongation of A-Cage-C in the presence of model bilayers. 相似文献
922.
Luk Petera Klaudia Mrazikova Lukas Nejdl Kristyna Zemankova Marketa Vaculovicova Adam Pastorek Svatopluk Civis Petr Kubelik Alan Heays Giuseppe Cassone Jiri Sponer Martin Ferus Judit Sponer 《Molecules (Basel, Switzerland)》2021,26(8)
Synthesis of RNA nucleobases from formamide is one of the recurring topics of prebiotic chemistry research. Earlier reports suggest that thymine, the substitute for uracil in DNA, may also be synthesized from formamide in the presence of catalysts enabling conversion of formamide to formaldehyde. In the current paper, we show that to a lesser extent conversion of uracil to thymine may occur even in the absence of catalysts. This is enabled by the presence of formic acid in the reaction mixture that forms as the hydrolysis product of formamide. Under the reaction conditions of our study, the disproportionation of formic acid may produce formaldehyde that hydroxymethylates uracil in the first step of the conversion process. The experiments are supplemented by quantum chemical modeling of the reaction pathway, supporting the plausibility of the mechanism suggested by Saladino and coworkers. 相似文献
923.
Scheinherrová Lenka Vejmelková Eva Keppert Martin Doleželová Magdaléna Rovnaníková Pavla Černý Robert 《Journal of Thermal Analysis and Calorimetry》2021,145(6):2951-2966
Journal of Thermal Analysis and Calorimetry - Geopolymers are considered as environmentally friendly binders with a high potential not only to lower the prices of binders, but mainly to decrease... 相似文献
924.
The fundamental aim of drug design in research and development is to invent molecules with selective affinity towards desired disease-associated targets. At the atomic loci of binding surfaces, systematic structural variations can define affinities between drug candidates and biomolecules, and thereby guide the optimization of safety, efficacy and pharmacologic properties. Hydrophobic interaction between biomolecules and drugs is integral to binding affinity and specificity. Examples of antiviral drug discovery are discussed. 相似文献
925.
Lukas Martin Müller-Wirtz Daniel Kiefer Sven Ruffing Timo Brausch Tobias Hüppe Daniel I. Sessler Thomas Volk Tobias Fink Sascha Kreuer Felix Maurer 《Molecules (Basel, Switzerland)》2021,26(11)
Exhaled aliphatic aldehydes were proposed as non-invasive biomarkers to detect increased lipid peroxidation in various diseases. As a prelude to clinical application of the multicapillary column–ion mobility spectrometry for the evaluation of aldehyde exhalation, we, therefore: (1) identified the most abundant volatile aliphatic aldehydes originating from in vitro oxidation of various polyunsaturated fatty acids; (2) evaluated emittance of aldehydes from plastic parts of the breathing circuit; (3) conducted a pilot study for in vivo quantification of exhaled aldehydes in mechanically ventilated patients. Pentanal, hexanal, heptanal, and nonanal were quantifiable in the headspace of oxidizing polyunsaturated fatty acids, with pentanal and hexanal predominating. Plastic parts of the breathing circuit emitted hexanal, octanal, nonanal, and decanal, whereby nonanal and decanal were ubiquitous and pentanal or heptanal not being detected. Only pentanal was quantifiable in breath of mechanically ventilated surgical patients with a mean exhaled concentration of 13 ± 5 ppb. An explorative analysis suggested that pentanal exhalation is associated with mechanical power—a measure for the invasiveness of mechanical ventilation. In conclusion, exhaled pentanal is a promising non-invasive biomarker for lipid peroxidation inducing pathologies, and should be evaluated in future clinical studies, particularly for detection of lung injury. 相似文献
926.
The ac Stark effect was used to induce resonant energy transfer between translationally cold 85Rb Rydberg atoms. When a 28.5 GHz dressing field was set at specific field strengths, the two-atom dipole-dipole process 43d5/2+43d5/2-->45p3/2+41f was dramatically enhanced, due to induced degeneracy of the initial and final states. This method for enhancing interactions is complementary to dc electric-field-induced resonant energy transfer, but has more flexibility due to the possibility of varying the applied frequency. 相似文献
927.
Tvaskis V Christy ME Arrington J Asaturyan R Baker OK Blok HP Bosted P Boswell M Bruell A Cochran A Cole L Crowder J Dunne J Ent R Fenker HC Filippone BW Garrow K Gasparian A Gomez J Jackson HE Keppel CE Kinney E Lapikás L Liang Y Lorenzon W Lung A Mack DJ Martin JW McIlhany K Meekins D Milner RG Mitchell JH Mkrtchyan H Moreland B Nazaryan V Niculescu I Opper A Piercey RB Potterveld DH Rose B Sato Y Seo W Smith G Spurlock K van der Steenhoven G Stepanyan S Tadevosian V Uzzle A Vulcan WF Wood SA 《Physical review letters》2007,98(14):142301
We report on a study of the longitudinal to transverse cross section ratio, R=sigmaL/sigmaT, at low values of x and Q2, as determined from inclusive inelastic electron-hydrogen and electron-deuterium scattering data from Jefferson Laboratory Hall C spanning the four-momentum transfer range 0.06相似文献
928.
Interfaces moving in a disordered medium exhibit stochastic velocity fluctuations obeying universal scaling relations related to the presence or absence of conservation laws. For fluid invasion of porous media, we show that the fluctuations of the velocity are governed by a geometry-dependent length scale arising from fluid conservation. This result is compared to the statistics resulting from a nonequilibrium (depinning) transition between a moving interface and a stationary, pinned one. 相似文献
929.
Giraud N Blackledge M Böckmann A Emsley L 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2007,184(1):51-61
The effect of nitrogen-15 proton-driven spin diffusion on quantitative (15)N T(1) measurements in solid proteins is investigated, and the impact on the measurement of dynamic parameters is assessed. A simple model of exchange between neighboring nitrogens is used to reproduce the evolution of (15)N spin systems whose longitudinal relaxation rates and exchange rates are compatible with experimental measurements. We show that the induced error in the measured T(1) and its effect on the determination of dynamics parameters is likely to be less than the current experimental error. The use of deuterated protein samples is shown to have a small but sometimes visible effect, and may also considerably slow down or even suppress the exchange of magnetization due to spin diffusion. 相似文献
930.
Permanently fixed noisily recorded refractive index gratings are discovered in single crystals of LiNbO(3):Fe upon long-term exposure to a single laser beam with high intensities of I=100 kW/m(2) and ambient temperature. The fixing process is explained by considering the effect of laser-induced heating of the sample and the well-known simultaneous thermal fixing procedure. 相似文献