Investigation of two‐ and three‐bond carbon–hydrogen coupling constants in cinnamic acid based compounds

Two‐ and three‐bond coupling constants (²J_HC and ³J_HC) were determined for a series of 12 substituted cinnamic acids using a selective 2D inphase/antiphase (IPAP)‐single quantum multiple bond correlation (HSQMBC) and 1D proton coupled ¹³C NMR experiments. The coupling constants from two methods were compared and found to give very similar values. The results showed coupling constant values ranging from 1.7 to 9.7 Hz and 1.0 to 9.6 Hz for the IPAP‐HSQMBC and the direct ¹³C NMR experiments, respectively. The experimental values of the coupling constants were compared with discrete density functional theory (DFT) calculated values and were found to be in good agreement for the ³J_HC. However, the DFT method under estimated the ²J_HC coupling constants. Knowing the limitations of the measurement and calculation of these multibond coupling constants will add confidence to the assignment of conformation or stereochemical aspects of complex molecules like natural products. Copyright © 2016 John Wiley & Sons, Ltd.     

Nucleon structure functions from high energy neutrino interactions

Structure functions obtained from high energy neutrino and antineutrino scattering from an iron target are presented. These were extracted from the combined data of Fermilab experiments E616 and E701; these utilized narrow band beam runs between 1979–1982. The structure functions are used to test the validity of quarkparton model (QPM) predictions and to extract the QCD scale parameter Λ from fits to the Altarelli-Parisi equations.     

A measurement of the neutral current electroweak parameters using the fermilab narrow band neutrino beam

We report a measurement of the electroweak parameters sin₂θ ^w and ? based on the ratios of neutral current to charged current events measured in the Fermilab narrow-band neutrino beam at energies of 30–240 GeV. The data are fully corrected for radiative effects, heavy-quark production, and other effects. The best value for sin₂θ ^w obtained, sin₂θ ^w =0.239±0.011, is consistent with the most recent values fromW andZ production, as well as from other neutrino experiments.     

High-field magnetic resonance imaging using solenoid radiofrequency coils

High-resolution magnetic resonance imaging using dedicated high-field radiofrequency micro-coils at 16.4 T (700 MHz) was investigated. Specific solenoid coils primarily using silver and copper as conductors with enamel and polyurethane coatings were built to establish which coil configuration produces the best image. Image quality was quantified using signal-to-noise ratio and signal variation over regions of interest. Benchmarking was conducted using 5-mm diameter coils, as this size is comparable to an established coil of the same size. Our 1.4-mm-diameter coils were compared directly to each other, from which we deduce performance as a function of conductor material and coating. A variety of materials and conductor coatings allowed us to choose an optimal design, which we used to image a kidney section at 10-micron resolution. We applied zero-fill extrapolation to achieve 5-micron resolution.     

A study of wrong-sign single muon production inv μ-nucleon interaction

We report on a search forv _μ-induced events where the single emerging muon carries lepton number opposite that of the incident neutrino. The rate and kinematic quantities of the candidate events are compared with known backgrounds from \(\bar v_\mu \) -induced charged current interactions and ν-induced interactions that produce dileptons. We derive an upper limit on the rate of wrong-sign single muon production relative to the rate ofv _μ charged current interactions to be 1.6×10^?4 fory<0.5 and 3.1×10^?4 fory>0.5 (90% CL). These upper limits enable us to constrain exotic sources of wrong-sign muons such as the charm component of the nucleon sea, flavor changing neutral currents and lepton number violating processes. Finally, the rate and kinematic properties of these events are compared with those of the neutrino-induced opposite-sign dimuon events.     

A comparative study between para‐aminophenyl and ortho‐aminophenyl benzothiazoles using NMR and DFT calculations

Ortho‐substituted and para‐substituted aminophenyl benzothiazoles were synthesised and characterised using NMR spectroscopy. A comparison of the proton chemical shift values reveals significant differences in the observed chemical shift values for the NH protons indicating the presence of a hydrogen bond in all ortho‐substituted compounds as compared to the para compounds. The presence of intramolecular hydrogen bond in the ortho amino substituted aminophenyl benzothiazole forces the molecule to be planar which may be an additional advantage in developing these compounds as Alzheimer's imaging agent because the binding to amyloid fibrils prefers planar compounds. The splitting pattern of the methylene proton next to the amino group also showed significant coupling to the amino proton consistent with the notion of the existence of slow exchange and hydrogen bond in the ortho‐substituted compounds. This is further verified by density functional theory calculations which yielded a near planar low energy conformer for all the o‐aminophenyl benzothiazoles and displayed a hydrogen bond from the amine proton to the nitrogen of the thiazole ring. A detailed analysis of the ¹H, ¹³C and ¹⁵N NMR chemical shifts and density functional theory calculated structures of the compounds are described. Copyright © 2014 John Wiley & Sons, Ltd.     

Synthesis and X-Ray Crystal Structure of 1- and 2-Cinnamoyaloxy Acetonaphthones

Abstract  

The synthesis of titled compounds were achieved in one step using hydroxyl naphthones and substituted cinnamic acids in the presence of a catalytic amount of phosphorus oxychloride. X-ray crystal studies were undertaken for three compounds and the results are presented. Compounds 1 (C₂₂H₁₅F₃O₃) and 3 (C₂₁H₁₅BrO₃) formed a monoclinic crystals while compound 2 (C₂₂H₁₅F₃O₃) formed a triclinic crystals. The observed space group of these compounds is P2₁/c and P[`1] \bar{1} respectively. The 2-substituted compounds showed identical space group and showed a perpendicular arrangements of each of the substituents to the plane of the naphthyl ring. On the contrary, the 1-substituted cinnamoyal compound showed an orthogonal arrangement to naphthyl ring but the acetyl group was almost planar relative to the naphthyl moiety. The characterization of the structures of the compounds was also accomplished using high-resolution NMR spectroscopic techniques.     

Neutrino production of dimuons

Neutrino interactions with two muons in the final state have been studied using the Fermilab narrow band beam. A sample of 18v _μ like sign dimuon events withP _μ>9 GeV/c yields 6.6±4.8 events after backgroud subtraction and a prompt rate of (1.0±0.7)×10^?4 per single muon event. The kinematics of these events are compared with those of the non-prompt sources. A total of 437v _μ and 31 \(\bar v_\mu \) opposite sign dimuon events withP _μ>4.3 GeV/c are used to measure the strange quark content of the nucleon: \(\kappa = {{2s} \mathord{\left/ {\vphantom {{2s} {\left( {\bar u + \bar d} \right) = 0.52_{ - 0.15}^{ + 0.17} \left( {or\eta _s \frac{{2s}}{{u + d}} = 0.075 \pm 0.019} \right) for 100< E_v< 230 GeV\left( {\left\langle {Q^2 } \right\rangle = {{23 GeV^2 } \mathord{\left/ {\vphantom {{23 GeV^2 } {c^2 }}} \right. \kern-0em} {c^2 }}} \right)}}} \right. \kern-0em} {\left( {\bar u + \bar d} \right) = 0.52_{ - 0.15}^{ + 0.17} \left( {or\eta _s \frac{{2s}}{{u + d}} = 0.075 \pm 0.019} \right) for 100< E_v< 230 GeV\left( {\left\langle {Q^2 } \right\rangle = {{23 GeV^2 } \mathord{\left/ {\vphantom {{23 GeV^2 } {c^2 }}} \right. \kern-0em} {c^2 }}} \right)}}\) using a charm semileptonic branching ratio of (10.9±1.4)% extracted from measurements ine ⁺ e ^? collisions and neutrino emulsion data.     

Synthesis,NMR structural characterization and molecular modeling of substituted thiosemicarbazones and semicarbazones using DFT calculations to prove the syn/anti isomer formation

Thiosemicarbazones possessing electron‐donating and electron‐withdrawing groups were prepared, and their spectral characteristics determined. In all cases, the spectra showed that one isomer was formed, allowing further functionalization to molecules of biological interest. We provide NMR data for some of the thiosemicarbazones and semicarbazones. We also provide evidence that for 2‐pyridyl thiosemicarbazone, the syn isomer slowly converts into the anti isomer in dimethyl sulfoxide solvent with first‐order kinetics. Molecular modeling and density functional theory calculations confirmed these observations. Copyright © 2014 John Wiley & Sons, Ltd.