Synthesis, Cytotoxicity and Antiviral Activity Against Vaccinia Virus of 2-(3-Coumarinyl)-1-Hydroxyimidazoles.

Background: In 1980, smallpox became the first viral disease eradicated through vaccination. After the termination of the Smallpox Eradication Program, the global immunization of the population also ceased. Now, most people do not have any immunity against infections caused by orthopoxviruses.

Synthesis of esters and amides of 2-aryl-1-hydroxy-4-methyl-1H-imidazole-5-carboxylic acids and study of their antiviral activity against orthopoxviruses.

Smallpox was eradicated >40 years ago but it is not a reason to forget forever about orthopoxviruses pathogenic to humans. Though in 1980 the decision of WHO to cease vaccination against smallpox had seemed logical, it led to the decrease of cross immunity against other infections caused by orthopoxviruses. As a result, in 2022 the multi-country monkeypox outbreak becomes a topic of great concern.

Optical-Optical Double-Resonance Absorption Spectroscopy of Molecules with Kilohertz Accuracy.

Selective pumping and probing of highly excited states of molecules are essential in various studies but are also challenging because of high density of states, weak transition moments, and lack of precise spectroscopy data. We develop a comb-locked cavity-assisted double-resonance spectroscopy (COCA-DR) method for precision measurements using low-power continuous-wave lasers. A high-finesse cavity locked with an optical frequency comb is used to enhance both the pumping power and the probing sensitivity.

The self-adjusting file (SAF). Part 2: mechanical analysis.

Introduction: The study was designed to explore the mechanical properties of the self-adjusting file (SAF) and its application in the root canal using continuous irrigation.

Methods: The compressibility of the SAF file and the resulting peripheral force were measured using specially designed systems. The abrasivity of the file was tested on dentin blocks representing a flat root canal.

Cation-dependent fluorescent properties of naphthalimide derivatives with N-benzocrown ether fragment.

The investigation of N-phenyl-4-amino- and N-phenyl-4-acetamido-1,8-naphthalimides containing N-benzo-15-crown-5 ether substituent showed that the presence of ionophoric fragment as N-substituent in naphthalimide molecule provides the design of compound possessing the properties of fluorescent receptor. The addition of metal cations does not change the position of absorption and emission bands but substantial increases the fluorescence intensity. The study of molecules included the theoretical and experimental (optical, NMR) methods, analysis of intramolecular charge (electron) transfer and fluorescence properties in the presence and absence of metal ions.

[Mass spectrum and uniformity of decomposition of certain 2-substituted 9-(o-chlorbenzyl)-8-azahypoxanthines].

The regularities of mass spectrometric fragmentation under electron impact of new 9-(o-chlorobenzyl)-8-azahypoxantines with (N-aryl)amidocarbonylmethylthiomethyl substituents in position 2 were studied. The main fragmentation pathways are the elimination of Ar-NH+ and o-chlorobenzyl ions and cleavage of C-S bonds, characteristic of organic sulfides. During the fragmentations, some rearrangements occur, consisting in the transfer of labile hydrogen atoms from the alpha-positions to ions being eliminated.

Dipole-Moment Derivatives of Nitrous Oxide.

The equations relating the q(2)J-type parameters of the matrix elements of the effective dipole-moment operator with the force field constants and the dipole-moment derivatives have been established by means of contact transformations in the case of nitrous oxide molecule. The effective dipole-moment operator corresponds to the reduced effective Hamiltonian derived by J.-L.

Line Intensities of (12)C(16)O(2) in the 1.2-1.4 µm Spectral Region.

The 7000-8500 cm(-1) spectral region of (12)C(16)O(2) has been investigated using the high-resolution FT spectrometer of LPPM in Orsay. The two strongest bands in this region are the 10031 <-- 00001 and 10032 <-- 00001 bands centered at 8294 and 8192 cm(-1). Line intensities in these two bands and in the 40013 <-- 00001 and 40014 <-- 00001 bands have been measured.

13C(16)O(2): Global Treatment of Vibrational-Rotational Spectra and First Observation of the 2nu(1) + 5nu(3) and nu(1) + 2nu(2) + 5nu(3) Absorption Bands.

The effective operator approach is applied to the calculation of both line positions and line intensities of the (13)C(16)O(2) molecule. About 11 000 observed line positions of (13)C(16)O(2) selected from the literature have been used to derive 84 parameters of a reduced effective Hamiltonian globally describing all known vibrational-rotational energy levels in the ground electronic state. The standard deviation of the fit is 0.

The nu1 + 5nu3 Dyad of 12CO2 and 13CO2.

The (1 0(0) 5)1,2 --> (1 0(0) 4)1,2 and (1 0(0) 6)1,2 --> (1 0(0) 5)1,2 emission bands of 12C16O2 have been recorded near 4.5 µm by Fourier transform spectroscopy of a CO2 + N2 mixture excited by dc discharge. The spectroscopic parameters of the (1 0(0) v3)1,2 vibrational states with v3 = 0-6 have been obtained from a global rotational analysis of the six (1 0(0) v3)1,2 --> (1 0(0) (v3-1))1,2 emission bands (v3 = 1-6).

CO2 Emission in the 4-µm Region.

From spectra recorded at a resolution of 0.020 cm-1 of the flame CH4 + O2 at low pressure, six new vibrational transitions in Deltav3 = 1 with 2v1 + v2 = 5 had been recently identified [D. Bailly et al.

Application of the Effective Operator Approach to the Calculation of 12C16O2 Line Intensities.

The effective operator approach has been applied to the calculation of line intensities of 12C16O2. Using the eigenfunctions of our reduced effective Hamiltonian (1992, J. Mol.