Infrared study of adsorption of methanol,deuterated methanol and ethylene on the surface of ZSM-5 type zeolite

The surface species resulting in exposing of the ZSM-5 zeolite at elevated temperatures to methanol, deuterated methanol or ethylene have been studied by IR method.The three-step adsorption at 150°, 300°, 420° C or one-step adsorption at 420° C have been carried out in order to prepare the samples for IR. In all cases the most prominent band appeared in the range 1495–1515 cm^?1; besides two bands at about 1470 and 1370 cm^?1 have been observed. On the basis of Greenler's results and of the shift values of the bands in our spectrum of adsorbed deuterated methanol it was supposed that the band 1495–1515 cm^?1 is due to the OCO group from the surface species. Moreover these species would involve both oxygen atoms from the surface of zeolite but not from OH groups of methanol.     

An Approach to A 1-Oxacephem Skeleton from D-Galactose

Abstract

2,4,6-Tri-O-benzyl-D-galactal (1) was transformed into a 1-oxacephem skeleton. The sequence of reaction involved: [2+2]cycloaddition, N-alkylation, glycolic cleavage of the vic-diol grouping, reduction of dialdehyde and cyclization to the title skeleton.     

Spontaneous generation of chirality and chiroptical spectra of N-nitroso-2,4-diaryl-3-azabicyclo[3.3.1]nonanes

The crystal structures of several bicyclic N-nitrosamines indicate that they crystallize in the chiral (Sohncke) space group P2₁2₁2₁ as conglomerates. This allows the resolution of these compounds by manual picking of the enantiomorphous crystals. The optical activity of the single crystals was confirmed by their CD spectra taken in KBr disks. The absolute configurations of the title nitrosamines were assigned by crystallographic measurements and by a comparison of their CD spectra with those of a reference compound resolved by classical methods. The observed Cotton effect signs, corresponding to the n–π¹ transition, were correlated with the helicity of the inherently chiral nitrosamine chromophore.     

Singular densities,test particles and generalized Hamiltonian systems in general relativity

We derive the motion equations and the structure equations of neutral and charged test particles, starting from the gravitational field equations. The method consists in the application of conservation laws to singular tensor densities, which represent regions of strong matter concentration. Moreover, a Hamiltonian formulation of the particle equations is given, in the form of implicit differential equations generated by Hamiltonian Morse families.     

Jauch-Piron system of imprimitivities for phonons. I. Localizability in discrete space

This paper is devoted to a discussion of the notion of localizability for phonons, i.e., quasiparticles arising from the harmonic vibrations of a system ofn atoms bound to one another by elastic forces. The natural tools for the analysis of localizability are the projection operatorsÊ() acting on the Hilbert space of one-phonon states, where is an arbitrary subset of the set that consists ofn vectors specifying the equilibrium positions ofn atoms. The expectation value ofÊ() is the probability that the phonon belongs to the atoms whose equilibrium positions are characterized by the elements of . For a strongly localizable phonon all of the projection operatorsÊ() commute with one another, whereas in the case of a weakly localizable phonon the operatorsÊ(₁) andÊ(₂) do not commute when ₁ and ₂ overlap. With the aid of the Jauch-Piron quantum theory of localization in space, the present paper describes the method of obtainingÊ() and also shows that if in the system ofn atoms there exist normal modes of zero frequency, then the phonon is only weakly localizable. Given the explicit expression forÊ(), one can define the number-of-phonons operator as well as the quasiparticle analogue (given in a companion paper) of the Wigner distribution function.     

Mechanism of the Verwey transition in magnetite

By combining ab initio results for the electronic structure and phonon spectrum with the group theory, we establish the origin of the Verwey transition in Fe3O4. Two primary order parameters with X3 and Delta5 symmetries are identified. They induce the phase transformation from the high-temperature cubic to the low-temperature monoclinic structure. The on-site Coulomb interaction U between 3d electrons at Fe ions plays a crucial role in this transition--it amplifies the coupling of phonons to conduction electrons and thus opens a gap at the Fermi energy.     

Identification of naphthoylindoles acting on cannabinoid receptors based on their fragmentation patterns under ESI-QTOFMS

'Herbal highs' have been advertised as legal and natural substitutes to cannabis, but a detailed examination of these products has revealed that the herbal matrix is laced with synthetic substances that mimic the effects of marijuana. Producers select the ingredients based on the results of scientific studies on the affinities of different chemicals to cannabinoid receptors. Naphthoylindoles have turned out to be the most popular class of substances identified in the products. Legal actions taken in order to tackle the problem of uncontrolled access to one substance have usually resulted in the marketing of derivatives or analogues. In the study, the mass spectral behavior of twelve synthetic cannabinoids from the naphthoylindole family under electrospray ionization (ESI) was investigated. LC-QTOFMS experiments were performed in three modes (low fragmentor voltage, high fragmentor voltage with/without collision energy), and they enabled the identification of protonated molecules and main ions. A general fragmentation pattern under this ionization method was proposed, and mechanisms of ion formation were discussed. The developed procedure allowed the determination of substituent groups of the core naphthoylindole structure and distinction between positional isomers. The obtained results were used for the prediction of the ESI-MS spectra for many naphthoylindoles with a high affinity to cannabinoid receptors. Similarities and differences between ESI-MS and electron impact-MS spectra of naphthoylindoles were discussed. The developed identification process was presented on an example of an analysis of an unknown herbal material, in which JWH-007 was finally identified. Knowledge of the fragmentation mechanisms of naphthoylindoles could also be used by other researchers for identification of unknown substances in this chemical family.     

Motzkin numbers out of Random Domino Automaton

Motzkin numbers are derived from a special case of Random Domino Automaton – recently proposed a slowly driven system being a stochastic toy model of earthquakes. It is also a generalisation of 1D Drossel–Schwabl forest-fire model. A solution of the set of equations describing stationary state of Random Domino Automaton in inverse-power case is presented. A link with Motzkin numbers allows to present explicit form of asymptotic behaviour of the automaton.     

Pulse generation at 1.5-μm wavelength in new EAT14 glasses doped with Er<Superscript>3+</Superscript> and Yb<Superscript>3+</Superscript> ions

The paper describes investigation of pulse laser generation in newly developed EAT14 glasses with the use of MALO saturable absorber. Different initial transmission of the saturable absorbers and different transmission of the output coupler were investigated. The laser generation was carried out using 976-nm pump wavelength. Comparison of peak powers, slop efficiencies and thresholds was made with a view to choose the best set of glass and saturable absorber for “eye-safe” microchip laser range-finder. The generated wavelengths by each sample were measured.