Spectroscopic (FT-IR, FT-Raman and 1H and 13C NMR) and theoretical in MP2/6-311++G(d,p) and B3LYP/6-311++G(d,p) levels study of benzenesulfonic acid and alkali metal benzenesulfonates.

The FT-IR, FT-Raman and NMR ((1)H and (13)C) spectra of benzenesulfonic acid as well as lithium, sodium, potassium, rubidium and caesium benzenesulfonates were registered, assigned and compared. The molecular structures of ligand and alkali metal salts were discussed. On the basis of quantum mechanical calculations in MP2/6-311++G(d,p) and B3LYP/6-311++G(d,p) levels the geometric parameters, infrared spectra, NMR spectra, the magnetic and geometric aromaticity indices for acid and alkali metal benzenesulfonates and benzoates were obtained. The effect of alkali metal ions on the electronic charge distribution of benzenesulfonic acid was studied and compared with the alkali metal benzoates and benzoic acid.

Experimental (FT-IR, FT-Raman, 1H NMR) and theoretical study of magnesium, calcium, strontium, and barium picolinates.

The experimental IR, Raman, and 1H NMR spectra of picolinic acid, as well as magnesium, calcium, strontium, and barium picolinates were registered, assigned and studied. Characteristic changes in the spectra of metal picolinates in comparison with the spectrum of ligand were observed, which lead to the conclusion that perturbation of the aromatic system of picolinates increases along with the series Mg-->Ca-->Sr-->Ba. Theoretical structures of beryllium and magnesium picolinates, as well as theoretical IR spectrum of magnesium picolinate were calculated in B3PW91/6-311++G(d, p) level. On the basis of calculated bond lengths in pyridine ring geometric, aromaticity indexes HOMA were calculated. The idea of these indexes is based on the fact that the essential factor in aromatic stabilization is the pi delocalization manifested in: planar geometry, equalization of the bond lengths and angles, and symmetry. The decidedly lower value of HOMA for magnesium picolinate (i.e. 0.545; 0.539) than that for beryllium picolinate (i.e. 0.998; 0.998) indicate higher aromatic properties of Be picolinate than of Mg picolinate. The comparison of theoretical and literature experimental structures of magnesium picolinate was done. The experimental structure contains two water molecules, so the calculations for hydrated magnesium picolinate were carried on, and the influence of coordinated water molecule on the structure of picolinates was discussed. The HOMAs for hydrated experimental and calculated Mg picolinate amount to 0.870; 0.743, and 0.900; 0.890, respectively, whereas for anhydrous structure, it is as described above, i.e. 0.545; 0.539. Thus, the calculations clearly showed that water molecules coordinated to the central atom weakens the effect of metal on the electronic system of ligand.

[The anatomic variability of the intervertebral foramina L4----L5 and L5----S1 in the light of planimetric studies]. / Die anatomische Veränderlichkeit der Intervertebrallöcher L4----L5 und L5----S1 im Lichte planimetrischer Untersuchungen.

The were studied 168 intervertebral foramina on the levels L4 to L5 and L5 to S1 as well as the thickness of the spinal nerve by application of the planimetric method. An index of the tightness of the intervertebral foramina has been established. The narrowness of intervertebral foramina has been found to occur much more frequently on the right side of both of the tested levels, what is the reason of increased occurrence of lumbosacral syndrome of pain on this side.

[Measurements and forms of intervertebral foramina of the posterior lumbar spine]. / Uber Messungen und Formen der Intervertebrallöcher im unteren Teil der Lendenwirbelsäule.

The authors carried out measurements of 168 intervertebral foramina on the level L4 to L5 and L5 to S1 as well as the thickness of the spinal nerve, and examined their form. They certified that the measurements of the intervertebral foramen L5 to S1 are really statistically lower as the measurements of the intervertebral foramen L4 to L5 at relatively the same average thickness of the spinal nerve.

Hairy cell leukemia in three siblings: an apparent HLA-linked disease.

In a sibship of 11 adults the HLA haplotype A1, B7 occurred in four brothers, three of whom developed hairy cell leukemia (HCL) within a seven-year period. While this haplotype does not appear to occur with increased frequency in random cases of HCL, the fact that three cases of this uncommon and unique disorder occurred within one family and affected siblings with a common haplotype strongly suggests a genetic linkage.