Search results for "Spectral"
showing 10 items of 3116 documents
Organomercury(II) derivatives of 2-thiouracil. An infrared and proton magnetic resonance study of structures
1983
Abstract The novel complexes RHg(s2UraH−1) (R = Me, Ph) where s2UraH−1 is the monoanion of 2-thiouracil, have been synthesized. Comparison of the infrared spectra of the solid complexes and of 1H nuclear magnetic resonance spectra of the complexes in dimethyl-d6 sulfoxide with spectra of s2 Ura and Na[s2UraH−1] allows the recognition of the existence of isomers in the solid, with bonding to exocyclic sulfur and to pyrimidine nitrogens. In solution, a simpler pattern is observed, with 2J(1H199Hg) indicating bonding to sulfur only.
Scattering resonances and Pseudospectrum : stability and completeness aspects in optical and gravitational systems
2022
The general context of this thesis is an effort to establish a bridge between gravitational andoptical physics, specifically in the context of scattering problems using as a guideline concepts andtools taken from the theory of non-self-adjoint operators. Our focus is on Quasi-Normal Modes(QNMs), namely the natural resonant modes of open leaky structures under linear perturbationssubject to outgoing boundary conditions. They also are referred to as scattering resonances.In the conservative self-adjoint case the spectral theorem guarantees the completeness andspectral stability of the associated normal modes. In this sense, a natural question in the non-self-adjoint setting refers to the char…
Study of the Extended Narrow‐Line Region in the Host Galaxy of the Lensed QSO 2237+0305 (z= 1.69)
2004
The detection of spatially extended line emission in multiply imaged QSOs offers a new possibility to study the properties (kinematics and structure) of the ionized gas in the host galaxies of high-redshift QSOs. We have studied the arc of extended emission detected in Q2237+0305, finding that it arises from the core of the C III] λ1909 emission line and that the emission in the wings is compact. From the morphology of the emission-line profiles we have identified an additional narrow emission line component affecting the core of the spectra in the region of the arc (around component D). The kinematic analysis shows that the extended narrow-line region (NLR) exhibits broadening similar to t…
The importance of vibronic perturbations in ferrocytochrome c spectra: a reevaluation of spectral properties based on low-temperature optical absorpt…
2005
We have measured and analyzed the low-temperature (T=10 K) absorption spectrum of reduced horse heart and yeast cytochrome c. Both spectra show split and asymmetric Q(0) and Q(upsilon) bands. The spectra were first decomposed into the individual split vibronic sidebands assignable to B(1g) (nu15) and A(2g) (nu19, nu21, and nu22) Herzberg-Teller active modes due to their strong intensity in resonance Raman spectra acquired with Q(0) and Q(upsilon) excitations. The measured band splittings and asymmetries cannot be rationalized solely in terms of electronic perturbations of the heme macrocycle. On the contrary, they clearly point to the importance of considering not only electronic perturbati…
Local dynamics of DNA probed with optical absorption spectroscopy of bound ethidium bromide
1997
We have studied the local dynamics of calf thymus double-helical DNA by means of an "optical labeling" technique. The study has been performed by measuring the visible absorption band of the cationic dye ethidium bromide, both free in solution and bound to DNA, in the temperature interval 360-30 K and in two different solvent conditions. The temperature dependence of the absorption line shape has been analyzed within the framework of the vibronic coupling theory, to extract information on the dynamic properties of the system; comparison of the thermal behavior of the absorption band of free and DNA-bound ethidium bromide gave information on the local dynamics of the double helix in the prox…
Influence of Dynamics on The Analysis of Solid-State NMR Data From Membrane-bound Peptides
2009
By isotope labeling of membrane-bound peptides, typically with 2H, 19F, or 15N, solid-state NMR experiments can yield data from which the orientation of peptides in a native membrane environment can be determined. Such an orientation is defined by a tilt angle and an azimuthal rotation angle.Here we show that to obtain correct values of the orientation angles, it is important to include dynamics in the analysis of the NMR data. Nevertheless the effects of dynamics are different depending on the type of isotope labeling and NMR experiment considered.To analyze the influence of dynamics in detail, we generated virtual NMR observables using a model peptide undergoing explicit Gaussian fluctuat…
Spectral hole burning study of protoporphyrin IX substituted myoglobin.
1992
Protoporphyrin IX substituted myoglobin reveals excellent hole burning properties. We investigated the frequency shift of persistent spectral holes under isotropic pressure conditions in a range from 0 to 2.4 MPa. In this range, the protein behaves like an elastic solid. The shift of the holes under pressure shows a remarkable frequency dependence from which the compressibility of the protein can be determined. The compressibility, in turn, allows for an estimation of the equilibrium volume fluctuations. Within the frame of the model used to interpret the pressure data, it is possible to determine the absorption frequency of the isolated chromophore and the associated solvent shift in the p…
The Transoid, Ortho, and Gauche Conformers of Decamethyl-n-tetrasilane, n-Si4Me10: Electronic Transitions in the Multistate Complete Active Space Se…
2003
Multistate complete active space second-order perturbation theory (MS-CASPT2) is used to improve earlier descriptions of the low-energy valence excited states of the transoid, ortho, and gauche conformers of decamethyl-n-tetrasilane, n-Si4Me10, using a generally contracted basis set of atomic natural orbitals (ANOs) at a ground-state geometry optimized in the second-order Moller−Plesset perturbation theory (MP2) approximation with Dunning's correlation consistent triple-ζ basis set (cc-pVTZ) on the silicon atoms and the 6-31G* and 6-31G basis sets on the carbon and hydrogen atoms, respectively. Relative energies, relative free energies, and mole fractions of the transoid, ortho, and gauche …
The Influence of Filtration of Atrasine on the Spectrum of Positron Lifetimes in Immobilized Liquid Filtration Membranes
2006
The spectra of positron lifetimes were investigated in elements which were later used to form an immobilized liquid membrane and also in the immobilized liquid membrane, after different times of atrasine filtration. Next, the spectra of positron lifetimes were separated out into three components. The values of the components of the positron lifetimes spectrum indicated the formation of the Ps-atom both in the elements composing the membrane and in the very membrane itself. An influence of the filtration time of atrasine on the values of all components of positron lifetimes spectrum was found. On the basis of Eldrup–Tao model, changes in the sizes of spherical free spaces in the membrane and…
Lévy flights in an infinite potential well as a hypersingular Fredholm problem.
2016
We study L\'evy flights {{with arbitrary index $0< \mu \leq 2$}} inside a potential well of infinite depth. Such problem appears in many physical systems ranging from stochastic interfaces to fracture dynamics and multifractality in disordered quantum systems. The major technical tool is a transformation of the eigenvalue problem for initial fractional Schr\"odinger equation into that for Fredholm integral equation with hypersingular kernel. The latter equation is then solved by means of expansion over the complete set of orthogonal functions in the domain $D$, reducing the problem to the spectrum of a matrix of infinite dimensions. The eigenvalues and eigenfunctions are then obtained numer…