Search results for "trap"

Conodonts versus Triassic Climatic and Eustatic Changes

2015

Kılıç, Ali Murat (Balikesir Author)

Is digital necrosis in COVID-19 caused by neutrophil extracellular traps: Potential therapeutic strategies

2021

Some of the COVID-19 patients present with ischemic lesions of their finger and toes. Standard anticoagulant therapy is usually unsuccessful for the treatment of this unique presentation of COVID-19. In this review current evidence is presented, which supports the hypothesis that these necrotic lesions are primarily related to the formation of neutrophil extracellular traps is blood vessels. Also, currently available and potential pharmaco-logical methods of the management of this unique thrombotic complication are discussed. Drugs that possibly could be used in COVID-19 patients suffering from acute ischemia of distal parts of the extremities particularly comprise DNase I and DNase1L3, whi…

Extension of the MIRS computer package for the modeling of molecular spectra : from effective to full ab initio ro-vibrational hamiltonians in irredu…

2012

The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or simultaneous treatments of complex band systems of polyatomic molecules. It was set up in the frame of effective polyad models by using algorithms based on advanced group theory algebra to take full account of symmetry properties. It has been successfully used for predictions and data fitting (positions and intensities) of numerous spectra of symmetric and spherical top molecules within the vibration extrapolation scheme. The new version offers more advanced possib…

Constraining effective rheology through parallel joint geodynamic inversion

2014

Abstract The dynamics of crust and lithosphere is to a large extent controlled by its effective viscosity. Unfortunately, extrapolation of laboratory experiments indicates that viscosity is likely to vary over many orders of magnitude. Additional methods are thus required to constrain the effective viscosity of the present-day lithosphere using more direct geophysical observations. Here we discuss a method, which couples 3D geodynamic models with observations (surface velocities and gravity anomalies) and with a Bayesian inversion scheme on massively parallel high performance computers. We illustrate that the basic principle of a joint geodynamic and gravity inversion works well with a simp…

δ objects as a gauge for stress sensitivity of strain rate in mylonites

1993

Abstract Our understanding of the flow properties of deforming rocks in the Earth's lithosphere is mainly based on theoretical work and on the extrapolation of high-strain-rate experimental data to the low strain rates of rock deformation in nature. The geometry of structures in naturally deformed rocks can be an additional source of information on the rheology of the lithosphere. Flow experiments show that the geometry of a mantle of recrystallised material around a rigid object can be used to distinguish between a linear or power-law relation of differential stress and strain rate in strongly deformed rocks such as mylonites. This means that it is possible to use geometrical patterns in d…

Extrapolation of water and formaldehyde harmonic and anharmonic frequencies to the B3LYP/CBS limit using polarization consistent basis sets

2010

The harmonic and anharmonic frequencies of fundamental vibrations in formaldehyde and water were successfully estimated using the B3LYP Kohn-Sham limit. The results obtained with polarization- and correlation-consistent basis sets were fitted with a two-parameter formula. Anharmonic corrections were obtained by a second order perturbation treatment (PT2). We compared the performance of the PT2 scheme on the two title molecules using SCF, MP2 and DFT (BLYP, B3LYP, PBE and B3PW91 functionals) methods combined with polarization consistent pc-n (n = 0, 1, 2, 3, 4) basis sets, Dunning’s basis sets (aug)-cc-pVXZ where X = D, T, Q, 5, 6 and Pople’s basis sets up to 6-311++G(3df,2pd). The influence…

Chapitre 5. L’extrapreneuriat: Quand les salariés deviennent entrepreneurs

2013

Extrapreneurship

2013

Self-Assembly of Supramolecular Polymers of N-Centered Triarylamine Trisamides in the Light of Circular Dichroism: Reaching Consensus between Electro…

2020

The self-assembly of chiral supramolecular polymers is an intricate process that spans a wide range of length scales. Circular dichroism techniques are ideal to study this process as they provide information on the molecular scale but are at the same time also sensitive probes of the long-range interactions that control the growth and morphology of these polymers. As yet, Electronic Circular Dichroism that uses electronic transitions as a probe has by far been the method of choice while Vibrational Circular Dichroism, which uses vibrational transitions to probe structure, is much less employed. Here, we report experimental and theoretical studies of the self-assembly of helical supramolecul…

Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations l-C3H+, HC3H+, and c-C3H2+: Structures, Isomers, and the Influence of Ne-Tagging

2019

We report the first gas-phase vibrational spectra of the hydrocarbon ions C3H+ and C3H2+. The ions were produced by electron impact ionization of allene. Vibrational spectra of the mass-selected ions tagged with Ne were recorded using infrared predissociation spectroscopy in a cryogenic ion trap instrument using the intense and widely tunable radiation of a free electron laser. Comparison of high-level quantum chemical calculations and resonant depletion measurements revealed that the C3H+ ion is exclusively formed in its most stable linear isomeric form, whereas two isomers were observed for C3H2+. Bands of the energetically favored cyclic c-C3H2+ are in excellent agreement with calculated…