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MC21/CTF and VERA multiphysics solutions to VERA core physics benchmark progression problems 6 and 7
Daniel J. Kelly III,Ann E. Kelly,Brian N. Aviles,Andrew T. Godfrey,Robert K. Salko,Benjamin S. Collins 한국원자력학회 2017 Nuclear Engineering and Technology Vol.49 No.6
The continuous energy Monte Carlo neutron transport code, MC21, was coupled to the CTF subchannelthermal-hydraulics code using a combination of Consortium for Advanced Simulation of Light WaterReactors (CASL) tools and in-house Python scripts. An MC21/CTF solution for VERA Core PhysicsBenchmark Progression Problem 6 demonstrated good agreement with MC21/COBRA-IE and VERA solutions. The MC21/CTF solution for VERA Core Physics Benchmark Progression Problem 7, Watts Bar Unit1 at beginning of cycle hot full power equilibrium xenon conditions, is the first published coupled MonteCarlo neutronics/subchannel T-H solution for this problem. MC21/CTF predicted a critical boron concentrationof 854.5 ppm, yielding a critical eigenvalue of 0.99994 ± 6.8E-6 (95% confidence interval). Excellent agreement with a VERA solution of Problem 7 was also demonstrated for integral and localpower and temperature parameters.
A Spray-Processable, Low Bandgap, and Ambipolar Donor−Acceptor Conjugated Polymer
Steckler, Timothy T.,Zhang, Xuan,Hwang, Jungseek,Honeyager, Ryan,Ohira, Shino,Zhang, Xiao-Hong,Grant, Adrian,Ellinger, Stefan,Odom, Susan A.,Sweat, Daniel,Tanner, David B.,Rinzler, Andrew G.,Barlow, S American Chemical Society 2009 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - Vol.131 No.8
Molecular Recognition of Methionine-Terminated Peptides by Cucurbit[8]uril
Hirani, Zoheb,Taylor, Hailey F.,Babcock, Emily F.,Bockus, Andrew T.,Varnado, C. Daniel,Bielawski, Christopher W.,Urbach, Adam R. American Chemical Society 2018 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - Vol.140 No.38
<P>This Article describes the molecular recognition of peptides containing an N-terminal methionine (Met) by the synthetic receptor cucurbit[8]uril (Q8) in aqueous solution and with submicromolar affinity. Prior work established that Q8 binds with high affinity to peptides containing aromatic amino acids, either by simultaneous binding of two aromatic residues, one from each of two different peptides, or by simultaneous binding of an aromatic residue and its immediate neighbor on the same peptide. The additional binding interface of two neighboring residues suggested the possibility of targeting nonaromatic peptides, which have thus far bound only weakly to synthetic receptors. A peptide library designed to test this hypothesis was synthesized and screened qualitatively for Q8 binding using a fluorescent indicator displacement assay. The large fluorescence response observed for several Met-terminated peptides suggested strong binding, which was confirmed quantitatively by the determination of submicromolar equilibrium dissociation constant values for Q8 binding to MLA, MYA, and MFA using isothermal titration calorimetry (ITC). This discovery of high affinity binding to Met-terminated peptides and, more generally, to nonaromatic peptides prompted a detailed investigation of the determinants of binding in this system using ITC, electrospray ionization mass spectrometry, and <SUP>1</SUP>H NMR spectroscopy for 25 purified peptides. The studies establish the sequence determinants required for high-affinity binding of Met-terminated peptides and demonstrate that cucurbit[<I>n</I>]uril-mediated peptide recognition does not require an aromatic residue for high affinity. These results, combined with the known ability of cucurbit[<I>n</I>]urils to target N-termini and disordered loops in folded proteins, suggest that Q8 could be used to target unmodified, Met-terminated proteins.</P> [FIG OMISSION]</BR>
Identification of Novel Regulators of B Cell Development and Function Using ENU Mutagenesis
Anselm Enders,Mehmet Yabas,Lisa A Miosge,Alanna Short,Yovina Sontani,Hannes Bergmann,Belinda Whilttle,Nadine Bartel,T. Daniel Andrews,Matthew A Field,Yafei Zhang,Edward M Bertram,Christopher C Goodnow 한국실험동물학회 2014 한국실험동물학회 학술발표대회 논문집 Vol.2014 No.8