Charge density based classification of intermolecular interactions in molecular crystals

Evaluation of intermolecular interactions in terms of both experimental and theoretical charge density analyses has produced a unified picture with which to classify strong and weak hydrogen bonds, along with van der Waals interactions, into three regions.

Characterization of the interactions of a polycationic, amphiphilic, terminally branched oligopeptide with lipid A and lipopolysaccharide from the deep rough mutant of Salmonella minnesota

The lipid A and lipopolysaccharide (LPS) binding and neutralizing activities of a synthetic, polycationic, amphiphilic peptide were studied. The branched peptide, designed as a functional analog of polymyxin B, has a six residue hydrophobic sequence, bearing at its N-terminus a penultimate lysine residue whose alpha- and epsilon-amino groups are coupled to two terminal lysine residues. In fluorescence spectroscopic studies designed to examine relative affinities of binding to the toxin, neutralization of surface charge and fluidization of the acyl domains, the peptide was active, closely resembling the effects of polymyxin B and its nonapeptide derivative; however, the synthetic peptide does not induce phase transitions in LPS aggregates as do polymyxin B and polymyxin B nonapeptide. The peptide was also comparable with polymyxin B in its ability to inhibit LPS-mediated IL-l and IL-6 release from human peripheral blood mononuclear cells. The synthetic compound is devoid of antibacterial activities and did not induce conductance fluxes in LPS-containing asymmetric planar membranes. These results strengthen the premise that basicity and amphiphilicity are necessary and sufficient physical properties that ascribe endotoxin binding and neutralizing activities, and further suggest that antibacterial/membrane perturbant and LPS neutralizing activities are dissociable, which may be of value in designing LPS-sequestering agents of low toxicity.

Charge distribution, dipole moments and infrared spectra of some thiol and thio acids

The dipole moments of thioglycollic (2.28 D), β-mereaptopropionic (2.25 D), thiomalic (2.47 D), malic (3.12 D), and dithiodiacetic (3.17 D) acids have been measured in dioxan at 35° C. Using the scheme of Smith, Ree, Magee and Eyring, the formal charge distribution in and hence the electric moments of these acids have been evaluated, compared with the theoretical moments, and discussed in terms of their various possible structures. Infrared spectra of these acids (liquid and nujol mull) indicate association through hydrogen bonding. These bonds are broken in solution. © 1969.

Charge distribution, dipole moments and infrared spectra of some thiol and thio acids

The dipole moments of thioglycollic (2.28 D), β-mereaptopropionic (2.25 D), thiomalic (2.47 D), malic (3.12 D), and dithiodiacetic (3.17 D) acids have been measured in dioxan at 35° C. Using the scheme of Smith, Ree, Magee and Eyring, the formal charge distribution in and hence the electric moments of these acids have been evaluated, compared with the theoretical moments, and discussed in terms of their various possible structures. Infrared spectra of these acids (liquid and nujol mull) indicate association through hydrogen bonding. These bonds are broken in solution.

Charge distribution in and dipole moments of some aliphatic alcohols

Using the treatment of Smith, et al.,1 charge distributions in several aliphatic alcohols and consequently their dipole moments have been evaluated. The dipole moments of trichloroethanol (2.04 D) and 1,3-dichloropropan-2-ol (2.11 D) have been measured in benzene solution at 35°. The results of evaluation and measurements are interpreted in terms of the occurrence of intramolecular interaction between the hydroxyl hydrogen and an acceptor atom X (halogen or oxygen) at the β-carbon atom.

Instability of Coupled Longitudinal and Transverse Electromagnetic Modes of Wave‐Propagation in Bounded Streaming Plasmas

The instability of coupled longitudinal and transverse electromagnetic modes associated with long wavelengths is studied in bounded streaming plasmas. The main conclusions are as follows: (i) For long waves for which O (k 2)=0, in the absence of relative streaming motion of electrons and ions and aωp/c<0.66, the whole spectrum of harmonic waves is excited due to finite temperature and boundary effects consisting of two subseries. One of these subseries can be identified with Tonks-Dattner resonance oscillations for the electrons, and arises primarily due to the electrons with frequencies greater than the electrostatic plasma frequency corresponding to the electron density in the midplane in the undisturbed state. The other series arises primarily due to ion motion. When aωp/c>0.66, in addition to the above spectrum of harmonic waves, the system admits an infinite number of growing and decaying waves. The instability associated with these modes is found to arise due to the interaction of the waves inside the plasma with the external electromagnetic field. (ii) For modes with comparatively shorter wavelengths for which O (k3)=0, the coupling due to finite temperature sets in, and it is found that the two series of harmonic waves obtained in (i) deriving energy from the transverse modes also become unstable. Thus, for these wavelengths the system admits three sets of growing and decaying modes, first two for all values of aωp/c and the third for (aωp/c) > 0.66. (iii) The presence of streaming velocities introduces various other coupling mechanisms, and we find that even for the wavelengths for which O (k2)=0, we get three sets of growing and decaying waves. The numerical values for the growth rates show that the streaming velocities enhance the growth rates of instability significantly.

Charge distribution in and electric moments of some aliphatic acids

Using the treatment of Smith et al., charge distribution in and consequently the dipole moments of several aliphatic acids have been evaluated. The electric moments of chloro (2·86 D), bromo (2·90 D), iodo (2·06 D) and trichloro (3·00 D) acetic acids have been measured in dioxan solution at 35°. The experimental values are compared with those calculated theoretically and discussed in terms of the various possible structures.

Search for Maximal Flavor Violating Scalars in Same-Charge Lepton Pairs in pp̅ Collisions at √s=1.96 TeV

Models of Maximal Flavor Violation (MxFV) in elementary particle physics may contain at least one new scalar SU$(2)$ doublet field $\Phi_{FV} = (\eta^0,\eta^+)$ that couples the first and third generation quarks ($q_1,q_3$) via a Lagrangian term $\mathcal{L}_{FV} = \xi_{13} \Phi_{FV} q_1 q_3$. These models have a distinctive signature of same-charge top-quark pairs and evade flavor-changing limits from meson mixing measurements. Data corresponding to 2 fb$^{-1}$ collected by the CDF II detector in $p\bar{p}$ collisions at $\sqrt{s} = 1.96$ TeV are analyzed for evidence of the MxFV signature. For a neutral scalar $\eta^0$ with $m_{\eta^0} = 200$ GeV/$c^2$ and coupling $\xi_{13}=1$, $\sim$ 11 signal events are expected over a background of $2.1 \pm 1.8$ events. Three events are observed in the data, consistent with background expectations, and limits are set on the coupling $\xi_{13}$ for $m_{\eta^0} = 180-300$ GeV/$c^2$.

Exclusion of an Exotic Top Quark with -4/3 Electric Charge Using Soft Lepton Tagging

We present a measurement of the electric charge of the top quark using $\ppbar$ collisions corresponding to an integrated luminosity of 2.7~fb$^{-1}$ at the CDF II detector. We reconstruct $\ttbar$ events in the lepton+jets final state and use kinematic information to determine which $b$-jet is associated with the leptonically- or hadronically-decaying $t$-quark. Soft lepton taggers are used to determine the $b$-jet flavor. Along with the charge of the $W$ boson decay lepton, this information permits the reconstruction of the top quark's electric charge. Out of 45 reconstructed events with $2.4\pm0.8$ expected background events, 29 are reconstructed as $\ttbar$ with the standard model $+$2/3 charge, whereas 16 are reconstructed as $\ttbar$ with an exotic $-4/3$ charge. This is consistent with the standard model and excludes the exotic scenario at 95\% confidence level. This is the strongest exclusion of the exotic charge scenario and the first to use soft leptons for this purpose.

Search for New Bottomlike Quark Pair Decays QQ̅ →(tW∓)(t̅ W±) in Same-Charge Dilepton Events

We report the most restrictive direct limits on masses of fourth-generation down-type quarks b′, and quarklike composite fermions (B or T5/3), decaying promptly to tW∓. We search for a significant excess of events with two same-charge leptons (e, μ), several hadronic jets, and missing transverse energy. An analysis of data from pp̅ collisions with an integrated luminosity of 2.7  fb-1 collected with the CDF II detector at Fermilab yields no evidence for such a signal, setting mass limits mb′, mB>338  GeV/c2 and mT5/3>365  GeV/c2 at 95% confidence level.

Charge distribution, dipole moment and molecular structure of silyl compounds

The formal charge distribution and hence the electric moments of a number of halosilanes and their methyl derivatives have been calculated by the method of Image and Image . The difference between the observed and the calculated values in simple halosilanes is attributed to a change in the hybridization of the terminal halogen atom and in methyl halosilanes to the enhanced electron release of the methyl group towards silicon compared with carbon.

Search for New Bottomlike Quark Pair Decays QQ̅ →(tW∓)(t̅ W±) in Same-Charge Dilepton Events

We report the most restrictive direct limits on masses of fourth-generation down-type quarks $b^{\prime}$, and quark-like composite fermions ($B$ or $T_{5/3}$), decaying promptly to $t W^{\mp}$. We search for a significant excess of events with two same-charge leptons ($e$, $\mu$), several hadronic jets, and missing transverse energy. An analysis of data from $p\overline{p}$ collisions with an integrated luminosity of 2.7 fb$^{-1}$ collected with the CDF II detector at Fermilab yields no evidence for such a signal, setting mass limits $m_{b^{\prime}}, m_{B} >$ 338 $\mathrm{GeV}/c^2$ and $m_{T_{5/3}} >$ 365 $\mathrm{GeV}/c^2$ at 95% confidence level.

Direct Measurement of the W Production Charge Asymmetry in pp̅ Collisions at √s=1.96 TeV

We present the first direct measurement of the $W$ production charge asymmetry as a function of the $W$ boson rapidity $\yW$ in $\ppbar$ collisions at $\sqrt{s} = 1.96$ $\TeV$. We use a sample of $\wenu$ events in data from 1 $\ifb$ of integrated luminosity collected using the CDF II detector. In the region $|\yW|