Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Bond, flipping

Figure 2.6 A dislocation in a cubic lattice. As a shearing force is applied in the direction of the arrows, motion can most easily occur along the shaded plane, with the dislocation moving from left to right as the bonds flip from one atom to the next... Figure 2.6 A dislocation in a cubic lattice. As a shearing force is applied in the direction of the arrows, motion can most easily occur along the shaded plane, with the dislocation moving from left to right as the bonds flip from one atom to the next...
Quasar not only considers one conformer per molecule but also represents each molecule by an ensemble of conformers in different orientations and protonation states (called fourth dimension [21]), thereby reducing the bias associated with the choice of the bioactive conformation. The fifth dimension refers to the possibility to consider an ensemble of different induced-fit models [22] and the sixth dimension allows for the simulation of local induced H-bond flip-flop and various solvation effects [23]. [Pg.121]

The photoisomerization of all-s-trans-all-trans 1,3,5,7-octatetraene at 4.3 K illustrates the need for a new mechanism to explain the observed behavior [150]. Upon irradiation, all-s-trans-all-trans 1,3,5,7-octatetraene at 4.3 K undergoes conformational change from all-s-trans to 2-s-cis. Based on NEER principle (NonEquilibrium of Excited state Rotamers), that holds good in solution, the above transformation is not expected. NEER postulate and one bond flip mechanism allow only trans to cis conversion rotations of single bonds are prevented as the bond order between the original C C bonds increases in the excited state. However, the above simple photochemical reaction is explainable based on a hula-twist process. The free volume available for the all-s-trans-all-trans 1,3,5,7-octatetraene in the //-octane matrix at 4.3 K is very small and under such conditions, the only volume conserving process that this molecule can undergo is hula-twist at carbon-2. [Pg.593]

Hydrogen Bond Flip-Flop Disorder Conformational and Configurational... [Pg.41]

The contributions of path displacement to linear viscoelastic properties can be obtained using the bond flip modePl The stress relaxation modulus for that model is... [Pg.100]

Effects of the first factor, release of constraints by retraction during the equilibration period, can be estimated with the bond flip model as long as the strain is not too large. The average frequency of retraction-induced jumps per chain during equilibration is... [Pg.104]

Nar, H., Messerschmidt, A., Huber, R., et al. (1991) Crystal structure analysis of oxidized Pseudomonas aeruginosa azurin at pH 5.5 and pH 9.0. ApH-induced conformational transition involves a peptide bond flip. J. Mol. Biol., 221(3), 765-772. [Pg.462]

Figure 12.6 Stereo view of the Raptor surrogate for the thyroid receptor p with the largest ligand of the training set depicted. The front section has been clipped to display inner (wireframe) and outer shells (smooth surface). Areas colored in brown represent hydrophobic properties areas in red correspond to H-bond acceptors, areas in blue to H-bond donors and green reflects H-bond flip-flops. See color plates. Figure 12.6 Stereo view of the Raptor surrogate for the thyroid receptor p with the largest ligand of the training set depicted. The front section has been clipped to display inner (wireframe) and outer shells (smooth surface). Areas colored in brown represent hydrophobic properties areas in red correspond to H-bond acceptors, areas in blue to H-bond donors and green reflects H-bond flip-flops. See color plates.
Figure 12.7 AhR surrogate with a bound aza-PAH as generated by Quasar. For clarity, the front section has been clipped. Areas colored in gray/brown represent hydrophobic properties areas in green H-bond donor functions areas in yellow indicate H-bond acceptors and purple domains correspond to H-bond flip-flops. No salt bridges are observed in this model as the ligands lack any charged groups. See color plates. Figure 12.7 AhR surrogate with a bound aza-PAH as generated by Quasar. For clarity, the front section has been clipped. Areas colored in gray/brown represent hydrophobic properties areas in green H-bond donor functions areas in yellow indicate H-bond acceptors and purple domains correspond to H-bond flip-flops. No salt bridges are observed in this model as the ligands lack any charged groups. See color plates.
V a one-bond-flip (OBF), bicycle-pedal (BP), > Models. The OBT and HT models include... [Pg.179]

Figure 74. Examples of possible bond flipping moves in the Monte Carlo procedure discussed in the text. The solid lines represent intact bonds and the dotted lines broken bonds. Figure 74. Examples of possible bond flipping moves in the Monte Carlo procedure discussed in the text. The solid lines represent intact bonds and the dotted lines broken bonds.
Z-E isomerization via simple geometric inversion (one-bond flip, OBF, Fig. 2.3A) involves the torsional relaxation of the perpendicular excited state via an adiabatic mechanism which implies a non-volume-conserving process. This is not compatible with the ultrafast CTI in polyenes, in particular retinyl chromophores, and two other possible ways of photo-CTI have been proposed over the past 15 years [11]. [Pg.9]

Fig. 5.4 The r (N1-C1-C2-C3) and q> (Cl-C2-C3-C4) dihedral angles of the green fluorescent protein chromophore. In the protein R, is Gly67 and R2 is Ser65, and in HBDI, an often used model compound, = R2 = CH3. In r one-bond flips (r-OBF) the dihedral rotation occurs around the r torsional angle, in a (p-OBF it is around the (p dihedral angle, in a hula twist (HT) the (p and r dihedral angles concertedly rotate. Fig. 5.4 The r (N1-C1-C2-C3) and q> (Cl-C2-C3-C4) dihedral angles of the green fluorescent protein chromophore. In the protein R, is Gly67 and R2 is Ser65, and in HBDI, an often used model compound, = R2 = CH3. In r one-bond flips (r-OBF) the dihedral rotation occurs around the r torsional angle, in a (p-OBF it is around the (p dihedral angle, in a hula twist (HT) the (p and r dihedral angles concertedly rotate.
A model for the light/dark behavior of GFP has been proposed [40]. It is based on quantum mechanical calculations of the energy barriers for the cp and z one-bond flips (OBF) and the (p/z hula twists (HTs) that were calculated in the ground and first singlet excited states for a small nonpeptide model compound. Figure 5.5 shows the calculated energy profiles. [Pg.84]

Fig. 6. Site2 interfaces of hGHv and wt-hGH with their respective ECD2. (A) The wt hGH (green) and the hGHv (yellow) interface around D116. The hormone and receptor residues are labeled in black and red, respectively. The intermolecular H-bonds and salt bridges between the hormone and the receptor are depicted as broken lines. The arrows point to the peptide bond flip observed for W169e2 between the two crystal structures. (B) Bar graphs of the fold decreases/increases for the Site2 Ala-scan of the R2 to all three hormones. The is the reference Site2 dissociation... Fig. 6. Site2 interfaces of hGHv and wt-hGH with their respective ECD2. (A) The wt hGH (green) and the hGHv (yellow) interface around D116. The hormone and receptor residues are labeled in black and red, respectively. The intermolecular H-bonds and salt bridges between the hormone and the receptor are depicted as broken lines. The arrows point to the peptide bond flip observed for W169e2 between the two crystal structures. (B) Bar graphs of the fold decreases/increases for the Site2 Ala-scan of the R2 to all three hormones. The is the reference Site2 dissociation...
After mechanical attachment to a substrate, a leadframe, or to the inside of a package, bare die or chip devices are electrically connected by one of five methods wire bonding, flip-chip bonding, TAB, solder attachment, or attachment with electrically conductive adhesives. Fig. 1.6 shows some of these methods. [Pg.12]

WIRE BOND FLIP CHIP TAB (FACE-UP) SOLDER BUMO I/Os... [Pg.12]


See other pages where Bond, flipping is mentioned: [Pg.301]    [Pg.426]    [Pg.426]    [Pg.121]    [Pg.591]    [Pg.591]    [Pg.592]    [Pg.593]    [Pg.557]    [Pg.56]    [Pg.40]    [Pg.163]    [Pg.103]    [Pg.179]    [Pg.680]    [Pg.681]    [Pg.132]    [Pg.19]    [Pg.103]    [Pg.258]    [Pg.426]    [Pg.426]    [Pg.515]   
See also in sourсe #XX -- [ Pg.91 ]




SEARCH



Bond breaking spin-flip method

Bond, flipping rotation

Cyclohexane, axial bonds barrier to ring flip

Cyclohexane, axial bonds rate of ring-flip

Cyclohexane, axial bonds ring-flip

Flip Chip Bonding Technology

Flip chip bonding

Flip-bond model

Flip-flop hydrogen bond

Flipping

Local bond flips

One-bond flip

One-bond flip mechanism

Spin-flip approach bond breaking

© 2024 chempedia.info