Search results for "VIBRATION"

Assignment of Configuration in a Series of Dioxolanone-Type Secondary Metabolites fromGuignardia bidwellii- A Comparison of VCD and ECD Spectroscopy

2013

The absolute configurations of a series of phytotoxic dioxolanone-type secondary metabolites isolated from culture filtrates of the grape black rot fungus Guignardia bidwellii were determined by vibrational circular dichroism (VCD) spectroscopy in the mid-IR frequency range. Comparison of the recorded data with DFT calculations showed good agreement between experiment and theory for VCD, whereas electronic circular dichroism (ECD) data for the compounds matched poorly with the predicted spectra obtained by time-dependent DFT (TDDFT) calculations at the same level of theory.

Optical rotatory dispersion and circular dichroism of poly-L-lactide. A reply to a letter by M. Goodman and M. D'alagni (1)

1967

VCD studies on cyclic peptides assembled from L-α-amino acids and a trans-2-aminocyclopentane- or trans-2-aminocyclohexane carboxylic acid.

2010

The increasing interest in peptidomimetics of biological relevance prompted us to synthesize a series of cyclic peptides comprising trans-2-aminocyclohexane carboxylic acid (Achc) or trans-2-aminocyclopentane carboxylic acid (Acpc). NMR experiments in combination with MD calculations were performed to investigate the three-dimensional structure of the cyclic peptides. These data were compared to the conformational information obtained by electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) spectroscopy. Experimental VCD spectra were compared to theoretical VCD spectra computed quantum chemically at B3LYP/6-31G(d) density functional theory (DFT) level. The good agreem…

Confinement of chiral molecules in reverse micelles: FT-IR, polarimetric and VCD investigation on the state of dimethyl tartrate in sodium bis(2-ethy…

2008

Abstract The state of d and l -dimethyl tartrate confined within dry sodium bis(2-ethylhexyl) sulfosuccinate (AOT) reverse micelles dispersed in CCl 4 has been investigated by FT-IR spectroscopy, polarimetry, and vibrational circular dichroism (VCD). Measurements have been performed at 25 °C as a function of the solubilizate-to-surfactant molar ratio ( R ) at a fixed AOT concentration (0.158 M). The analysis of experimental data is consistent with the hypothesis that both enantiomers of dimethyl tartrate are mainly entrapped in the reverse micelles and located in proximity to the surfactant head-group region. The formation of this interesting self-organized chiral nanostructure involves som…

Magnetic Circular Dichroism in Two-Photon Photoemission

2009

We report the observation of magnetic circular dichroism (MCD) in two-photon photoemission (2PPE). The Heusler alloys Ni2MnGa and Co2FeSi were investigated by excitation with femtosecond laser light, showing MCD asymmetries of A=(3.5+/-0.5)x10;{-3} for Ni2MnGa and of A=(2.1+/-1.0)x10;{-3} for Co2FeSi, respectively. A theoretical explanation is provided based on local spin-density calculations for the magnetic dichroic response; the computed 2PPE MCD agrees well with the experiment. The observed 2PPE magnetic contrast represents an interesting alternative for future time-resolved photoemission studies on surface magnetism practicable in the laboratory.

Separation, isolation and stereochemical assignment of imazalil enantiomers and their quantitation in an in vitro toxicity test

2016

A simple method for the separation of the enantiomers of the fungicide imazalil was developed. Racemic imazalil was separated into its enantiomers with an enantiomeric purity of 99% using HPLC-UV with an enantioselective column (permethylated cyclodextrin) operated in reversed phase mode (water with 0.2% trimethylamine and 0.08% acetic acid and methanol). The absolute configuration of the separated enantiomers was assigned and unequivocally confirmed by optical rotation as well as by vibrational circular dichroism (VCD) and electronic circular dichroism (ECD) combined with ab-initio calculations. The same enantioselective column was also used to develop an HPLC-MS/MS method for the quantifi…

The Behaviour of Mistuned Piezoelectric Shunt Systems and Its Estimation

2016

This paper addresses monoharmonic vibration attenuation using piezoelectric transducers shunted with electric impedances consisting of a resistance and an inductance in series. This type of vibration attenuation has several advantages but suffers from problems related to possible mistuning. In fact, when either the mechanical system to be controlled or the shunt electric impedance undergoes a change in their dynamical features, the attenuation performance decreases significantly. This paper describes the influence of biases in the electric impedance parameters on the attenuation provided by the shunt and proposes an approximated model for a rapid prediction of the vibration damping performa…

Identification of stiffness, dissipation and input parameters of multi degree of freedom civil systems under unmeasured base excitations

2009

A time domain dynamic identification technique based on a statistical moment approach has been formulated for civil systems under base random excitations in the linear state. This technique is based on the use of classically damped models characterized by a mass proportional damping. By applying the Itô stochastic calculus, special algebraic equations that depend on the statistical moments of the response can be obtained. These equations can be used for the dynamic identification of the mechanical parameters that define the structural model, in the case of unmeasured input as well, and the identification of the input itself. Furthermore, the above equations demonstrate the possibility of id…

Effects of a low-frequency sound wave therapy programme on functional capacity, blood circulation and bone metabolism in frail old men and women

2009

Objective: To evaluate the effects of a low-frequency sound wave therapy programme on functional capacity, blood circulation and bone metabolism of the frail elderly. Design: Single-blind, randomized, controlled trial. Setting: Two senior service centres. Subjects: Forty-nine volunteers (14 males and 35 females) aged 62—93 years with up to 12 diagnosed diseases were allocated in either the intervention group (n = 30) or control group (n = 19). Intervention: The intervention group underwent sound wave therapy, 3—5 times a week for 30 minutes per session over a period of 6 months. The control group received no intervention. Main measurements: Blood pressure, functional capacity, mobility, bo…

Theoretical studies of isomers of C 3 H 2 using a multiconfigurational approach

2000

The C3H2 isomers are important molecules in interstellar space. An understanding of their electronic structure can contribute significantly to the interpretation of interstellar spectra. In a theoretical study of the C3H2 isomers a multiconfigurational treatment is of interest because many of the isomers are carbenes or diradicals. We present such an investigation of all possible C3H2 isomers. The most important features of their electronic and vibrational spectra are calculated. Earlier theoretical studies are reviewed and it is shown that the present study yields the same order of stability for the singlet and triplet states as most previous studies.