Vibrational spectroscopy of structural defects in oligothiophenes

Vibrational spectra of oligothiophenes with structural defects are calculated within the density-functional-theory methodology. The effects of the defective αβ linkages on the infrared (IR) and Raman spectra are characterized from calculations of all isomers up to the hexamer. The signatures of αβ linked monomers can be found in IR spectra from broken symmetry arguments which result in absorptions localized in the defective region. The positions of the absorption peaks in the Raman spectra seem to be unaffected by the presence of such defects; however, strong reductions in the intensities are observed because of the shortening of the conjugation length.     

Suppression of band crossing in the neutron-rich nuclei 172, 173Yb due to the absence of a static pair field

High-spin states in the neutron-rich nuclei ^172,173Yb have been populated in a ¹⁷⁰Er(⁷Li,(p,d,t)xn) incomplete-fusion reaction and the emitted γ-radiation was detected with the GASP array. The signature partners of the 7/2⁺[633] rotational band of the odd-N ¹⁷³Yb isotope have been newly established and were observed up to spin values of (45/2⁺) and (43/2⁺), respectively. The ground-state band of the even-even nucleus ¹⁷²Yb has been observed up to a spin value of (22⁺). No band crossings were found in these bands. To explain this observation, it is proposed that the static pair field is absent, considering that the neutron odd-even mass differences reach for these nuclei very small values and that the band crossing is absent in cranked shell modell calculations without pairing. The results indicate, however, that strong dynamic correlations are still present.     

Arsenic-Induced Biochemical Changes in Labeo rohita Kidney: An FTIR Study

ABSTRACT

Arsenic is a toxic heavy metal that occurs naturally in water, soil, and air. It is widespread in the environment as a consequence of both anthropogenic and natural processes. In the current study, an attempt has been made to analyze the arsenic-induced molecular changes in macromolecular components like proteins and lipids in the kidney tissues of edible fish Labeo rohita using Fourier transform infrared (FTIR) spectroscopy. The FTIR spectrum of kidney tissue is quite complex and contains several bands arising from the contribution of different functional groups. The detailed spectral analyses were performed in three distinct wave number regions, namely 3600–3050 cm^?1, 3050–2800 cm^?1, and 1800–800 cm^?1. The current study shows that the kidney tissues are more vulnerable to arsenic intoxication. FTIR spectra reveal significant differences in both absorbance intensities and areas between control and arsenic-intoxicated kidney tissues; this result indicates that arsenic intoxication induces significant alteration on the major biochemical constituents such as lipids and proteins and leads to compositional and structural changes in kidney tissues at the molecular level. The current study confirms that FTIR spectroscopy can be successfully applied to toxicologic and biological studies.     

The effect of arsenic exposure on the biochemical and mineral contents of Labeo rohita bones: An FT-IR study

Arsenic compounds are ubiquitous and widespread in the environment as a result of natural or anthropogenic occurrence. Fish are the major source of protein for human consumption. They are also a source of contamination, because of the amounts of heavy elements they can contain, some of which are highly toxic. Fish bones are high in calcium, which is an essential mineral for normal body function. It consists of water, organic material, and mineral matter. Chelating agents have been used clinically as antidotes for acute and chronic metal intoxications. In the present study, an attempt is made to investigate the bio-accumulation of arsenic and its effect on the biochemical and mineral contents of Labeo rohita bones using, Fourier transform infrared (FT-IR) spectroscopy. The results of the present study indicate that arsenic exposure induces significant reduction on the biochemical and mineral contents of the L. rohita bones. Further, the DMSA treatment significantly improves these levels. This shows that DMSA is an effective chelator for arsenic toxicity. Quantitative curve-fitting analyses of amide I band have proved useful in studying the nature and the extent of protein conformational changes. A decrease in α-helical and random coil structures and an increase in β-sheet structures have been observed due to arsenic exposure. In conclusion, the present study shows that the FT-IR spectroscopy coupled with second derivative and curve-fitting analysis gives useful information about the biochemical and mineral contents of the L. rohita bones.     

FTIR study of zinc-induced biochemical changes in the liver of Indian carp <Emphasis Type="Italic">Labeo rohita</Emphasis>

Zinc is an essential metal for different physiological functions and becomes toxic when elevated concentrations are introduced into the environment. In the present study, an attempt is made to analyze zinc-induced biochemical changes in the liver tissues of freshwater fingerlings of Labeo rohita using Fourier Transformation Infrared Spectroscopy. Several important features have been observed in the FTIR spectra of zinc-intoxicated liver tissues, namely, altered membrane lipid, altered protein profile, and increased glycogen content, indicating an alteration in the lipid and protein profiles leading to modification in membrane composition. Further, it is observed that acute exposure to zinc causes some alteration in protein profile with a decrease in α-helix and an increase in random coil structure. Treatment with the chelating agent D-penicillamine reduces the biochemical contents in the liver tissues. This shows that D-penicillamine is a good antidote for zinc toxicity. Published in Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 5, pp. 746–752, September–October, 2008.     

Gamma-ray spectroscopy in 110Sn and 111Sn

Excited states in ¹¹⁰Sn and ¹¹¹Sn nuclei have been investigated using in-beam -ray spectroscopic methods. An ¹⁶O beam with an energy of 60-80MeV was used to bombard a ⁹⁸Mo target. On the basis of the relative excitation functions, -ray angular distributions, - and -time distributions, -ray multiplicity and total energy data, the level schemes of ¹¹⁰Sn and ¹¹¹Sn have been studied and extended up to E_exc 11.5MeV, I = 24, and E_exc 11.1MeV and I = (51/2), respectively. An extension of the intruder, g.s. and negative-parity bands, as well as 5 new band-like structures are proposed in ¹¹⁰Sn. The nature of newly introduced collective band 8 as well as 10⁺ states fed in the decay of the collective band is discussed. In the ¹¹¹Sn nucleus an intruder band based on the 23/2^- state has been reinvestigated and the extension of the g.s. band and second negative-parity band is given. Evidence for neutron-core coupling in ¹¹¹Sn is found. The structure and systematics of excited states in light Sn isotopes is discussed.     

Level crossing in hyperfine interactions studied by perturbed γ-γ angular correlations

The technique of differential γ-γ angular correlation measurements has been applied to an investigation of the hyperfine interactions in the 482 keV level of¹⁸¹Ta. The activity was embedded in the lattice of a hafnium single crystal. The investigation of the quadrupole interaction gave for the electric interaction frequencyω ₀=(313±4) MHz. The electric field gradient was found to be axially symmetric, the asymmetry parameter beingη<0.1. Furthermore the combined collinear magnetic dipole and electric quadrupole interaction was studied. The angular correlation was investigated as a function of the strength of the external magnetic field by integral as well as time differential measurements. The integral anisotropy as function of the magnetic field has the shape of a resonance curve. The maximum was observed at a magnetic field ofB _res=(24.2±0.5)kG.     

Evidence for shape coexistence in186Pt

High-spin states in¹⁸⁶Pt have been populated by the¹⁸⁸Os (α, 6n) reaction and were investigated with the OSIRIS spectrometer. A shape coexistence at high spins was established in the nucleus¹⁸⁶Pt, which lies on the border between light prolate and heavy oblate Pt nuclei. Two bands corresponding to predominantly prolate shapes and one band of predominantly oblate shape have been observed. For prolate shapes a (π h _9/2)² alignment and for oblate shapesa (vi _13/2)² alignment has been found.     

Study of band structures and crossings in179Re

High-spin states in¹⁷⁹Re have been populated by the¹⁶⁵Ho(¹⁸O, 4n) and¹⁷⁰Er(¹⁴N,5n) reactions. A level scheme is constructed from the studies ofγγ-coincidences using anti-Compton spectrometer arrays. The previously known 5/2⁺[402], 1/2^? [541] and 9/2^? [514] bands have been extended to 35/2⁺, 45/2^? and 39/2^?, respectively. In addition a 1/2⁺ [660] band, a three-quasiparticle band and two isomers were established. Furthermore several level sequences were identified decaying into the 5/2⁺ [402] and 1/2^? [541] bands. This allowed to determine the excitation energy of the 9/2^? member of the latter band. The band crossing features of the bands have been explained as the rotation alignment of ani _13/2 quasineutron pair taking into account shape changes.