Search results for " vibration"
showing 10 items of 296 documents
The protein dynamical transition does not require the protein polypeptide chain
2011
We give experimental evidence that the main features of protein dynamics revealed by neutron scattering, i.e., the “protein dynamical transition” and the “boson peak”, do not need the protein polypeptide chain. We show that a rapid increase of hydrogen atoms fluctuations at about 220 K, analogous to the one observed in hydrated myoglobin powders, is also observed in a hydrated amino acids mixture with the chemical composition of myoglobin but lacking the polypeptide chain; in agreement with the protein behavior, the transition is abolished in the dry mixture. Further, an excess of low-frequency vibrational modes around 3 meV, typically observed in protein powders, is also observed in our mi…
Vibronic structure in triatomic molecules : The hydrocarbon flame bands of the formyl radical (HCO). A theoretical study
1998
A theoretical study of the vibrational structure of the math 2A′ ground and math 2A′ excited states of the formyl radical, HCO, and its deuterated form, DCO, has been performed. The potential energy surfaces have been computed by means of a multiconfigurational perturbative method, CASPT2. The computed geometries and the harmonic and anharmonic frequencies are successfully compared to the available experimental information. The vibrational intensities of the transition math 2A′↔math 2A′ have been computed both for absorption and emission. The results lead to accurate determinations of several structural parameters and some reassignments of the vibrational transitions of the so-called hydroc…
Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dih…
2006
The electron density of L-histidinium dihydrogen orthophosphate orthophosphoric acid has been determined from X-ray and neutron diffraction data at low temperature (120 K). Topological analysis of the electron density has been used to analyse the effect of the multipolar refinement strategy on the electron-density model in the hydrogen-bonding regions. The electron density at low temperature has also been used to acquire high-quality experimental thermal parameters at room temperature using the transferability principle. Molecular vibrations, TLS and normal mode analysis are discussed and studied at both temperatures.
Complex composite structures with integrated piezoelectric transducers
2016
International audience; Nowadays, in different industrial fields as transport or aerospace, a research effort is conducted to reduce the structural weight. One of the most promising solutions is the use of composite structures due to their high stiffness, their low mass density and their low damping factor. At the same time, there is an intensification of the operational dynamic environment and an increase of durability requirements. These different expectations seem to be contradictory. One solution to manage these points is to design and manufacture smart composite structures with a fully distributed set of integrated piezoelec-tric transducers. These structures are able to modify their m…
Chiroptical Phenomena in Reverse Micelles: The Case of (1R,2S)- Dodecyl (2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium Bromide (DMEB)
2014
(1R,2S)-Dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB) aggregates dispersed in carbon tetrachloride have been investigated by Fourier transform infrared (FT-IR), vibrational circular dichroism (VCD) and 1H nuclear magnetic resonance (NMR) spectroscopy at various surfactant concentration and water-to-surfactant molar ratio. Experimental data indicate that, even at the lowest investigated concentration and in absence of added water, DMEBmolecules associate in supramolecular assemblies. At higherDMEBconcentration the aggregates can confine watermolecules,making it plausible to think thatDMEB form reverse micelles and that watermolecules are quite uniformly distributed…
Reducing whole-body vibration exposure in backhoe loaders by education of operators
2012
Author's version of an article published in the journal: International Journal of Industrial Ergonomics. Also available from the publisher at: http://dx.doi.org/10.1016/j.ergon.2012.03.001 Whole-body vibration is a health hazard for operators of construction machinery. The level of whole-body vibration exposure on the operator is governed by three different factors; performance of the suspension system of the machine, planning of the work and the skills of the operator.In this research work it is investigated whether there is a potential in bringing down the level of whole-body vibration exposure by educating operators of backhoe loaders. This is carried out by an experimental setup. Six ex…
Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material …
2019
This present work undertakes the study of a novel organic–inorganic hybrid material, which has been obtained successfully by an acid-base reaction at room temperature and structurally studied by the single crystal X-ray diffraction method. (C10H15N2)2H2P2O7 crystallizes in the triclinic system with the non-centrosymmetric space group P1 with the following lattice parameters: a = 5.9159(2) Å, b = 13.8451(6) Å, c = 14.5973(5) Å, ? = 74.507(2)°, ? = 89.980(2)°, ? = 89.231(2)° with V = 1152.06(8) Å3 and Z = 2. The X-ray structural analysis supported by a detailed Hirshfeld 2D fingerprint plots has been performed to elucidate the different inter-contacts in the crystal structure mainly associate…
Active-passive decentralized H∞ control for adjacent buildings under seismic excitation
2011
Author's version of a chapter in the book: Proceedings of the 18th IFAC World Congress 2011. Also available from the publisher at: http://dx.doi.org/10.3182/20110828-6-IT-1002.01192 In this paper, a control strategy to reduce the vibrational response of adjacent buildings under seismic excitation is presented. The proposed strategy combines passive linking elements with an active decentralized H∞ control system. The overall active-passive control system admits decentralized design and operation, and achieves an excellent vibrational reduction when the active control system works; in case of a full or partial failure of the active control system, a remarkable reduction in the vibrational res…
First records of defensive tail vibration in the Italian Aesculapian Snake, Zamenis lineatus (Camerano, 1891)
2022
We report for the first time defensive tail vibration in the Italian Aesculapian Snake, Zamenis lineatus (Camerano, 1891)