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31.
Effects of external electromagnetic fields on the conformational sampling of a short alanine peptide
Gleb Y. Solomentsev Niall J. English Damian A. Mooney 《Journal of computational chemistry》2012,33(9):917-923
Non‐equilibrium molecular dynamics simulations of a solvated 21‐residue polyalanine (A21) peptide, featuring a high propensity for helix formation, have been performed at 300 K and 1 bar in the presence of external electromagnetic (e/m) fields in the microwave region (2.45 GHz) and an r.m.s. electric field intensity range of 0.01–0.05 V/Å. To investigate how the field presence affects transitions between the conformational states of a protein, we report 16 independent 40 ns‐trajectories of A21 starting from both extended and fully folded states. We observe folding‐behavior of the peptide consistent with prior simulation and experimental studies. The peptide displays a natural tendency to form stable elements of secondary structure which are stabilized by tertiary interactions with proximate regions of the peptide. Consistent with our earlier work, the presence of external e/m fields disrupts this behavior, involving a mechanism of localized dipolar alignment which serves to enhance intra‐protein perturbations in hydrogen bonds (English, et al., J. Chem. Phys. 2010 , 133, 091105), leading to more frequent transitions between shorter‐lifetime states. © 2012 Wiley Periodicals, Inc. 相似文献
32.
A Mukherjee M Dasgupta DJ Hinde CR Morton AC Berriman RD Butt JO Newton H Timmers 《Pramana》2001,57(1):195-198
Fusion cross-sections for the 7Li + 12C reaction have been measured at energies above the Coulomb barrier by the direct detection of evaporation residues. The heavy
evaporation residues with energies below 3 MeV could not be separated out from the α-particles in the spectrum and hence their
contribution was estimated using statistical model calculations. The present work indicates that suppression of fusion cross-sections
due to the breakup of 7Li may not be significant for 7Li + 12C reaction at energies around the barrier. 相似文献
33.
R. L. Barbour J. R. Mooney M. Mehicic R. J. Weinert K. C. Benton J. G. Grasselli 《Macromolecular Symposia》1986,5(1):49-59
Polymer coatings on steel substrates were analyzed by reflectance/absorbance infrared spectroscopy. Initial studies were performed ex-situ on samples which had been cured at a variety of temperatures on two different substrates. Further studies were done in-situ under both air and nitrogen atmospheres. The two substrates studied were untreated cold-rolled steel and cold-rolled steel with a conversion coating of zinc phosphate. Changes in the spectra of the phosphate conversion layer correlated well with anti-corrosion properties. Mechanisms of degradation and cure could be determined from the in-situ studies (1). 相似文献
34.
The alternating step generator is a well-known keystream generator consisting of two stop/go clocked LFSRs, LFSR1 and LFSR2, whose clocks are controlled by another LFSR, LFSR3, which is clocked regularly. A probabilistic analysis of this generator is conducted which shows that the posterior probabilites of individual bits of the first derivatives of the regularly clocked LFSR1 and LFSR2 sequences, when conditioned on a given segment of the first derivative of the keystream sequence, can be computed efficiently in a number of probabilistic models of interest. The expected values of these probabilities, for a random keystream sequence, are derived by an approximate theoretical analysis and are also verified by systematic computer experiments. It is pointed out that these posterior probabilities can be enhanced in a resynchronization scenario and thus used for a low-complexity fast correlation attack on the two LFSRs. More generally, it is argued that even without resynchronization these probabilities may be significantly different from one half for fast correlation attacks based on iterative decoding algorithms to be successful, although with incresead complexity. A related method for computing the posterior probabilities of individual bits of the LFSR3 sequence, when conditioned on both the keystream sequence and the LFSR1 and LFSR2 sequences, is also developed. As these posterior probabilities are much more different from one half, they can be used for a low-complexity fast correlation attack on LFSR3, provided that the initial states of LFSR1 and LFSR2 are previously reconstructed. 相似文献
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Dr. Yue Chen Dr. Jose M. Cordero Dr. Hua Wang Daniel Franke Odin B. Achorn Dr. Francesca S. Freyria Dr. Igor Coropceanu Dr. He Wei Prof. Ou Chen Prof. David J. Mooney Prof. Moungi G. Bawendi 《Angewandte Chemie (International ed. in English)》2018,57(17):4652-4656
We present a novel ligand, 5‐norbornene‐2‐nonanoic acid, which can be directly added during established quantum dot (QD) syntheses in organic solvents to generate “clickable” QDs at a few hundred nmol scale. This ligand has a carboxyl group at one terminus to bind to the surface of QDs and a norbornene group at the opposite end that enables straightforward phase transfer of QDs into aqueous solutions via efficient norbornene/tetrazine click chemistry. Our ligand system removes the traditional ligand‐exchange step and can produce water‐soluble QDs with a high quantum yield and a small hydrodynamic diameter of approximately 12 nm at an order of magnitude higher scale than previous methods. We demonstrate the effectiveness of our approach by incubating azido‐functionalized CdSe/CdS QDs with 4T1 cancer cells that are metabolically labeled with a dibenzocyclooctyne‐bearing unnatural sugar. The QDs exhibit high targeting efficiency and minimal nonspecific binding. 相似文献
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Bruins EE Bauer TS den Bok HW Duif CP van Hoek WC de Lange DJ Misiejuk A Papandreou Z Sichtermann EP Tjon JA Willering HW Yeomans DM Reike H Durek D Frommberger F Gothe R Jakob D Kranefeld G Kunz C Leiendecker N Pfeiffer G Putsch H Reichelt T Schoch B Wacker D Wehrmeister D Wilhelm M Jans E Konijn J de Vries R Furget C Voutier E Arenhövel H 《Physical review letters》1995,75(1):21-24
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