Search results for " Plot"
showing 10 items of 233 documents
The effect of β-methylation on the conformation of α, β-dehydrophenylalanine: a DFT study
2009
Dehydroamino acids are non-coded amino acids that offer unique conformational properties. Dehydrophenylalanine (ΔPhe) is most commonly used to modify bioactive peptides to constrain the topography of the phenyl ring in the side chain, which commonly serves as a pharmacophore. The Ramachandran maps (in the gas phase and in CHCl3 mimicking environments) of ΔPhe analogues with methyl groups at the β position of the side chain as well as at the C-terminal amide were calculated using the B3LYP/6-31 + G** method. Unexpectedly, β-methylation alone results in an increase of conformational freedom of the affected ΔPhe residue. However, further modification by introducing an additional methyl group a…
Two-state protein-like folding of a homopolymer chain
2010
Many small proteins fold via a first-order "all-or-none" transition directly from an expanded coil to a compact native state. Here we study an analogous direct freezing transition from an expanded coil to a compact crystallite for a simple flexible homopolymer. Wang-Landau sampling is used to construct the 1D density of states for square-well chains of length 128. Analysis within both the micro-canonical and canonical ensembles shows that, for a chain with sufficiently short-range interactions, the usual polymer collapse transition is preempted by a direct freezing or "folding" transition. A 2D free-energy landscape, built via subsequent multi-canonical sampling, reveals a dominant folding …
Conformational preferences and synthesis of isomersZandEof oxazole-dehydrophenylalanine
2016
Dehydrophenylalanine, ΔPhe, is the most commonly studied α,β-dehydroamino acid. In nature, further modifications of the α,β-dehydroamino acids were found, for example, replacement of the C-terminal amide group by oxazole ring. The conformational properties of oxazole-dehydrophenylalanine residue (ΔPhe-Ozl), both isomers Z and E, were investigated. To determine all possible conformations, theoretical calculations were performed using Ac-(Z/E)-ΔPhe-Ozl(4-Me) model compounds at M06-2X/6-31++G(d,p) level of theory. Ac-(Z/E)-ΔPhe-Ozl-4-COOEt compounds were synthesized and the conformational preferences of each isomer, Z and E, were investigated using FTIR and NMR-NOE in solutions of increasing p…
First observation of the rareB+→D+K+π−decay
2016
The B+→D+K+π- decay is observed in a data sample corresponding to 3.0 fb-1 of pp collision data recorded by the LHCb experiment during 2011 and 2012. The signal significance is 8σ and the branching fraction is measured to be B(B+→D+K+π-)=(5.31±0.90±0.48±0.35)×10-6, where the uncertainties are statistical, systematic and due to the normalization mode B+→D-K+π+, respectively. The Dalitz plot appears to be dominated by broad structures. Angular distributions are exploited to search for quasi-two-body contributions from B+→D2∗(2460)0K+ and B+→D+K∗(892)0 decays. No significant signals are observed and upper limits are set on their branching fractions.
Antiproton-proton annihilation at rest in H2 gas into π+ π− π0
1990
Antiproton-proton annihilation at rest into π+ π− π0 has been studied by stopping antiprotons from LEAR in a H2 gas target at normal temperature and pressure. The reaction is observed in coincidence withL X-rays which are emitted in the cascade of\(\bar pp\) atoms. The X-rays populate one of the angular momentumL=1 states of a\(\bar pp\) atom which then annihilates. A spinparity analysis of the π+ π− π0 Dalitz plot gives contributions from the threeP states from which annihilation into three pions is allowed. The most striking features of the Dalitz plot are production of charged and neutral ϱ(770) and off2(1270) mesons. Production of ϱ(770) mesons proceeds via the isoscalar part of the1P1 …
Evidence for DirectCPViolation in the Measurement of the Cabbibo-Kobayashi-Maskawa AngleγwithB∓→D(*)K(*)∓Decays
2010
We report the measurement of the Cabibbo-Kobayashi-Maskawa CP-violating angle {gamma} through a Dalitz plot analysis of neutral D meson decays to K{sub S}{sup 0}{pi}{sup +}{pi}{sup -} and K{sub S}{sup 0} K{sup +}K{sup -} produced in the processes B{sup {-+}} {yields} DK{sup {-+}}, B{sup {-+}} {yields} D* K{sup {-+}} with D* {yields} D{pi}{sup 0}, D{gamma}, and B{sup {-+}} {yields} DK*{sup {-+}} with K*{sup {-+}} {yields} K{sub S}{sup 0}{pi}{sup {-+}}, using 468 million B{bar B} pairs collected by the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} collider at SLAC. We measure {gamma} = (68 {+-} 14 {+-} 4 {+-} 3){sup o} (modulo 180{sup o}), where the first error is statistica…
Spatial recurrence strategies reveal different routes to Turing pattern formation in chemical systems
2009
We analyze the temporal evolution of hexagonal Turing patterns in two Belousov–Zhabotinsky reactions performed in water-in-oil reverse micro-emulsions under different experimental conditions. The two reactions show different routes to pattern formation through localized spots and through a self replication mechanism. The Generalized Recurrence Plot (GRP) and the Generalized Recurrence Quantification Analysis (GRQA) are used for the investigation of spatial patterns and clearly reveal the different routes leading to the formation of stationary Turing structures.
Efficient Pole Expansion of the Generalized Impedance Matrix Representation for Planar Waveguide Junctions
2006
This paper proposes a novel pole expansion of the generalized impedance matrix representation for planar waveguide junctions. Proceeding in this way, we have obtained a very efficient algorithm for the accurate wide-band modelling of such junctions, since the most expensive computations are performed outside the frequency loop. For verification purposes, several practical examples are shown in order to prove the numerical efficiency and accuracy provided by this new technique.
Measurements of the branching fractions of chargedBdecays toK±π∓π±final states
2004
We present results of searches for B-meson decays to K+ pi- pi+ with the BaBar detector. With a data sample of 61.6 million BBbar pairs, we measure the branching fractions and 90% confidence-level upper limits averaged over charge-conjugate states (the first error is statistical and the second is systematic): B+ --> K*0 pi+ = (15.5 +/- 1.8 +1.5 -4.0) x 10^-6, B+ --> f0 K+, f_0 --> pi+ pi- = (9.2 +/- 1.2 +2.1 -2.6) x 10^-6, B+ --> D0bar pi+, D0bar --> K+ pi- = (184.6 +/- 3.2 +/- 9.7) x 10^-6. B+ --> rho K+ K+ pi- pi+ non-resonant < 17 x 10^-6.
Dalitz plot analysis of B−→D+π−π−
2009
We report on a Dalitz plot analysis of B- -> D+pi(-)pi(-) decays, based on a sample of about 383 x 10(6) Y(4S) -> B (B) over bar decays collected with the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC. We find the total branching fraction of the three-body decay: B(B- -> D+ pi(-)pi(-)) = (1.08 +/- 0.03 +/- 0.05) x 10(-3). We observe the established D-2*(0) and confirm the existence of D-0*(0) in their decays to D+pi(-), where the D-2*(0) and D-0*(0) are the 2(+) and 0(+) c (u) over bar P-wave states, respectively. We measure the masses and widths of D-2*(0) and D-0*(0) to be: m(D2)*(0) = (2460.4 +/- 1.2 +/- 1.2 +/- 1.9) MeV/c(2), Gamma(D2*0) = (41.8 +/- 2.5 +/- 2.1 +/- 2.…