Solvent effects on optically detected magnetic resonance in triplet spin labels

We have calculated solvent effects on the zero-field splitting (ZFS) constants induced by electron spin–spin coupling (SSC) in the low-lying triplet states of azaaromatic molecules in solutions using multiconfiguration self-consistent-field wave functions and the polarizable continuum model. The second-order spin–orbit coupling (SOC) contribution to the splitting of the ^3* states is found to be almost negligible, and the calculations therefore provide a good estimate of the ZFS parameters and their solvent dependence based only on the electron spin–spin coupling expectation values. The correlation between the shift in the ZFS and the phosphorescence frequency that has been observed in optically detected magnetic resonance experiments in low-temperature glasses is supported by our direct SSC calculations without taking SOC into account. This makes it possible to distinguish between the two theories that earlier were proposed to explain the inhomogeneous broadening of triplet state spectra, and discard the one that is exclusively based on the SOC-induced mixing of the singlet and triplet states.Contribution to the Jacopo Tomasi Honorary IssueAcknowledgments. This work was supported (B. M.) by the Swedish Royal Academy of Science (KVA). This work was also supported by the Norwegian Research Council through a grant of computer time from the Program for Supercomputing. We are grateful to B. Schimmelpfenning for his valuable assistance in the computations.     

Different definitions of homogeneity of real hypersurfaces in ℂ2

The coincidence of two definitions of local homogeneity for real-analytic hypersurfaces in two-dimensional complex spaces is proved. It is shown that if any two germs of a Levi nondegenerate nonspherical surfaceM are equivalent, then this surface has a local Lie group structure:M then acts transitively on itself by left shifts, and each such shift is a local holomorphic transformation of ².Translated fromMatematicheskie Zametki, Vol. 64, No. 6, pp. 881–887, December, 1998.This paper was conceived and largely written during author's visits to the Universities of West Ontario and Regina (Canada) under the kind invitation of Professors B. Gilligan and A. Bowen. The author wishes to express his great indebtedness to them for providing excellent conditions for work and gratitude for useful discussions.     

A high-performance matrix-assisted laser desorption/ionization orthogonal time-of-flight mass spectrometer with collisional cooling

A high-performance orthogonal time-of-flight (TOF) mass spectrometer was developed specifically for use in combination with a matrix-assisted laser desorption/ionization (MALDI) source. The MALDI source features an ionization region containing a buffer gas with variable pressure. The source is interfaced to the TOF section via a collisional focusing ion guide. The pressure in the source influences the rate of cooling and allows control of ion fragmentation. The instrument provides uniform resolution up to 18,000 FWHM (full width at half maximum). Mass accuracy routinely achieved with a single-point internal recalibration is below 2 ppm for protein digest samples. The instrument is also capable of recording spectra of samples containing compounds with a broad range of masses while using one set of experimental conditions and without compromising resolution or mass accuracy.     

Ti-pumped Mo X-ray laser at 24 Å

We propose using the Ti XXI He- emission line to resonantly photo-pump Li-like Mo (Z=42) and produce lasing on several n=5 n=4 transitions near 24 Å. The continuum emission from Ti photoionizes the Mo to the Li-like isoelectronic sequence. Gains of 1–2 cm^–1 are calculated on these lines before the inclusion of Stark broadening which lowers the gain by as much as a factor of two.     

Thermal oxidation resistance of bitumen modified with styrene-butadiene-styrene and ethylene-vinyl acetate copolymers

The effect of a blend of styrene-butadiene-styrene and ethylene-vinyl acetate copolymers on the heat resistance of oxidized bitumen was examined. The structural and rheological properties of the modified bitumen were analyzed.     

Calculation of the characteristics of radiative multiphoton absorption and emission lines when an atom interacts with pulsed laser radiation

We have used the quantum electrodynamic theory of moments and the S-matrix formalism of Gell-Mann and Low to carry out numerical modeling of the characteristics (shift, width) of radiative multiphoton absorption lines for an atom in the field of a multimodal laser pulse with gaussian and soliton-like shapes. We have studied the effect of multimode character on the characteristics of multiphoton resonances, using as an example the 6S-6F transition in the cesium atom at the wavelength 1059 nm. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 2, pp. 271–274, March–April, 2007.     

Archived polyacrylamide gels as a resource for proteome characterization by mass spectrometry

Mass spectrometry was applied to identify protein spots excised from an archived two-dimensional polyacrylamide gel that had been dried and stored for eight years at room temperature. All proteins were successfully identified. Detailed characterization of protein digests by matrix-assisted laser desorption/ionization (MALDI) peptide mapping, nanoelectrospray tandem mass spectrometry and MALDI-quadrupole time-of-flight mass spectrometry revealed no evidence of protein degradation or modifications that could hamper identification of proteins in a sequence database. The experiment with a model protein demonstrated that the pattern of tryptic peptides and the yield of individual peptides were not noticeably changed in the in-gel digest of the archived protein spot compared to the digest of the spot excised from a fresh gel. Thus, the characterization of "archived proteomes" has the potential to advance proteomic research without repeating "wet" biochemistry experiments, that had been perfected in the laboratory years ago.     

Electrically permeable crack with contact zones between two piezoelectric materials

The paper addresses a plane problem for an infinite plane consisting of two different piezoceramic half-planes with an interfacial crack with smooth contact zones and subjected to the uniformly distributed electromechanical loading applied at infinity. Methods of complex-variable theory are used to reduce the problem to a Dirichlet-Riemann mixed homogeneous boundary-value problem. Its solution is found in closed form. A system with one crack that has one or two contact zones is calculated. Expressions for stresses, electric-flux density, and displacement discontinuities at the interface are written. Equations for the determination of the length of the contact zones and expressions for the stress intensity factors at the crack tips are derived __________ Translated from Prikladnaya Mekhanika, Vol. 44, No. 3, pp. 66–74, March 2008.     

On holomorphic homogeneity of real hypersurfaces of general position in ℂ<Superscript>3</Superscript>

We study the problem of optimal recovery of a function analytic in a doubly connected domain from its approximately given values on one of the two components of the boundary. An optimal recovery method is obtained in the case when the error is an integer power of the modulus of the doubly connected domain.