Selective double quantum resolved correlation experiment for the complete separation of entire proton NMR spectra of enantiomers

The present study reports a two dimensional NMR experiment which separates single quantum spectra of enantiomers from that of a racemic mixture. This is a blend of selective double quantum refocusing, for resolving couplings and chemical shift interactions along two dimensions followed by correlation of the selectively excited protons to the entire coupled spin network. The concept is solely based on the presence of distinct intra methyl dipolar couplings of different enantiomers when dissolved in chiral orienting media. The analysis of single enantiomer spectrum obtained from respective F-2 cross sections yield all the spectral information. (C) 2011 Elsevier Inc. All rights reserved.

Sensitivity enhancement in slice-selective NMR experiments through polarization sharing

The polarization sharing technique is utilized in gradient based slice selective experiments to transfer polarization from unutilized protons to selectively excited protons. This facilitates rapid data acquisition without any customary inter-scan relaxation delay, resulting in an average of 2-fold sensitivity enhancement per unit time.

Ground and Excited State Intramolecular Proton Transfer in Salicylic Acid: an Ab Initio Electronic Structure Investigation

Energetics of the ground and excited state intramolecular proton transfer in salicylic acid have been studied by ab initio molecular orbital calculations using the 6-31G** basis set at the restricted Hartree-Fock (RHF) and configuration interaction-single excitation (CIS) levels and also using the semiempirical method AM1 at the RHF level as well as with single and pair doubles excitation configuration interaction spanning eight frontier orbitals (PECI = 8). The ab initio potential energy profile for intramolecular proton transfer in the ground state reveals a single minimum corresponding to the primary form, in the first excited singlet state, however, there are two minima corresponding to the primary and tautomeric forms, separated by a barrier of similar to 6 kcal/mol, thus accounting for dual emission in salicylic acid. Electron density changes with electronic excitation and tautomerism indicate no zwitterion formation. Changes in spectral characteristics with change in pH, due to protonation and deprotonation of salicylic acid, are also accounted for, qualitatively. Although the AM1 calculations suggest a substantial barrier for proton transfer in the ground as well as the first excited state of SA, it predicts the transition wavelength in near quantitative accord with the experimental results for salicylic acid and its protonated and deprotonated forms.

Surface acoustic waves of finite amplitude excited by a monochromatic line source

A technique for obtaining a uniformly valid solution to the problem of nonlinear propagation of surface acoustic waves excited by a monochromatic line source is presented. The method of solution is an extension of the method of strained coordinates wherein both the dependent and independent variables are expanded in perturbation series. A special transformation is proposed for the independent variables so as to make the expansions uniformly valid and also to satisfy all the boundary conditions. This perturbation procedure, carried out to the second order, yields a solution containing a second harmonic surface wave whose amplitude and phase exhibit an oscillatory variation along the direction of propagation. In addition, the solution also contains a second harmonic bulk wave of constant amplitude but varying phase propagating into the medium.

An investigation of bond formation in the weakly bound first excited 1Σ and lowest 3Σ states of HeH+

The role of the electronic kinetic energy and its Cartesian components is examined during the formation of the first excited 1�£ and the lowest 3�£ states of HeH+ employing wavefunctions of multi-configuration type with basis orbitals in elliptic coordinates. Results show that the bond formation in these states is preceded primarily by a charge transfer from H to He+ rather than by polarisation of the H-orbital by He+

Binding of three molecules in the excited state

t is shown that three neutral molecules can form a stable trimer if one of them is in the excited state. The formation of termolecular electron donor-acceptor complexes of sequence DDA and DAA arises from charge-resonance interaction.

Compressive Sensing For Sparsely Excited Speech Signals

Compressive sensing (CS) has been proposed for signals with sparsity in a linear transform domain. We explore a signal dependent unknown linear transform, namely the impulse response matrix operating on a sparse excitation, as in the linear model of speech production, for recovering compressive sensed speech. Since the linear transform is signal dependent and unknown, unlike the standard CS formulation, a codebook of transfer functions is proposed in a matching pursuit (MP) framework for CS recovery. It is found that MP is efficient and effective to recover CS encoded speech as well as jointly estimate the linear model. Moderate number of CS measurements and low order sparsity estimate will result in MP converge to the same linear transform as direct VQ of the LP vector derived from the original signal. There is also high positive correlation between signal domain approximation and CS measurement domain approximation for a large variety of speech spectra.

Self-excited triggered vacuum gap

The self-triggering action of the TVG under DC conditions using the same power source as the main circuit is described. Because of the low impedance of the power source compared with the thyratron pulse generator, the TVG can be triggered with voltages as low as 85 V. It is found that circuit conditions influence the minimum stable arc currents that can be sustained.

Vibrations of a periodic rail-sleeper system excited by an oscillating stationary transverse force

The rail-sleeper system is idealized as an infinite, periodic beam-mass system. Use is made of the periodicity principle for the semi-infinite halves on either side of the forcing point for evaluation of the wave propagation constants and the corresponding modal vectors. It is shown that the spread of acceleration away from the forcing point depends primarily upon one of the wave propagation constants. However, all the four modal vectors (two for the left-hand side and two for the right-hand side) determine the driving point impedance of the rail-sleeper system, which in combination with the driving point impedance of the wheel (which is adopted from the preceding companion paper) determines the forces generated by combined surface roughness and the resultant accelerations. The compound one-third octave acceleration levels generated by typical roughness spectra are generally of the same order as the observed levels.

A new genotype of Neurospora crassa that selectively produces abundant microconidia in submerged shake culture

A new microcycle microconidiating strain (mcm) ofNeurospora crassa was derived by successive backcrosses of a soil isolate to a laboratory wild-type strain. Surface grown cultures show normal wild-type vegetative morphology. However, under continuous agitation in liquid cultures at 22°C, macroconidial germlings bypass the usual mycelial phase and produce abundant numbers of uninucleate microconidia within 24 h. Temperature and culture media affect the production of microconidia.

Ab initio molecular dynamics simulations of excited hydrogen halides and methyl halides

Using excited-state ab initio molecular dynamics simulations employing the complete-active-space self-consistent-field approach, we study the mechanism of photodissociation in terms of time evolution of structure, kinetic energy, charges and potential energy for the first excited state of hydrogen halides and methyl halides. Although the hydrogen halides and methyl halides are similar in the photodissociation mechanism, their dynamics are slightly different. The presence of the methyl group causes delay in photodissociation as compared to hydrogen halides.

Low-temperature Er3+ emission in Ge-S-Ga glasses excited by host absorption

The photoluminescence (PL) of a series of (GeS2)(80)(Ga2S3)(20) glasses doped with different amounts of Er (0.17, 0.35, 0.52, 1.05 and 1.39 at.%) at 77 and 4.2 K has been studied. The influence of the temperature on the emission cross-section of the PL bands at -> 1540, 980 and 820 nm under host excitation has been defined. A quenching effect of the host photoluminescence has been established from the compositional dependence of the PL intensity. It has been found that the present Er3+-doped Ge-S-Ga glasses posses PL lifetime values about 3.25 ms. (C) 2007 Elsevier B.V. All rights reserved.

Puzzles of excited charm meson masses

We attempt a comprehensive analysis of the low lying charm meson states which present several puzzles, including the poor determination of masses of several non-strange excited mesons. We use the well-determined masses of the ground states and the strange first excited states to 'predict' the mass of the non-strange first excited state in the framework of heavy hadron chiral perturbation theory, an approach that is complementary to the well-known analysis of Mehen and Springer. This approach points to values for the masses of these states that are smaller than the experimental determinations. We provide a critical assessment of these mass measurements and point out the need for new experimental information. (c) 2007 Elsevier B.V. All rights reserved.