Infrared spectra of substituted benzoyl chlorides and benzoyl bromides. Explanation of the anomalous carbonyl band-splittings

Infrared spectra of substituted benzoyl chlorides and benzoyl bromides have been studied. The extent of splitting of the carbonyl band in benzoyl chlorides varies with substitution. While benzoyl bromide shows the carbonyl band as a single peak, para-nitrobenzoyl bromide shows a doublet. The results are interpreted in terms of intramolecular vibration effects (Fermi resonance). The intense band in the 860–880 cm−1 region in benzoyl chloride and benzoyl bromide has been assigned to the Ph-C stretching vibration.

Infrared spectra of trichloroacetates of copper, calcium, strontium and barium

Infrared spectra of trichloroacetates of Cu, Ca, Sr and Ba were studied in order to investigate the effect of coordination on the vibration spectra of the ligand. The shifts of the antisymmetric and symmetric COO- stretching frequencies are explained on the basis of the type of co-ordination of the COO- group to the metal ion. From the spectra it is established that the coordination of the COO- group to metal is different for trichloroacetates and monochloroacetates.

Raman and infrared spectra of copper formate tetrahydrate

The Raman and i.r. spectra of antiferroelectric copper formate tetrahydrate have been recorded. The i.r. spectrum of copper formate tetrahydrate at liquid air temperature (the phase transition is at −38·9°C) does not show any striking changes from the room temperature spectrum except for intensity variations. This is explained as due to the fact that the frequency of reorientation of the protons even in the paraelectric phase is much less than the optical frequencies.

Normal vibrations of N,N-dimethylacetamide

Infrared and Raman spectra of N,N-dimethylacetamide (DMA) are recorded and the normal vibrational analysis of the DMA skeleton as well as the entire molecule carried out employing the Urey-Bradley and modified Urey-Bradley force fields. Vibrational frequencies are assigned on the basis of the normal coordinate calculations and are compared with those of related molecules. Infrared spectra of metal complexes are examined to substantiate the band assignments.

Dielectric relaxation and electrical conductivity in Bi5NbO10 oxygen ion conductors prepared by a modified sol–gel process

Crystalline Bi5NbO10 nanoparticles have been achieved through a modified sol–gel process using a mixture of ethylenediamine and ethanolamine as a solvent. The Bi5NbO10 nanoparticles were characterized by X-ray diffraction (XRD), differential scanning calorimetry/thermogravimetry (DSC/TG), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM) and Raman spectroscopy. The results showed that well-dispersed 5–60 nm Bi5NbO10 nanoparticles were prepared through heat-treating the precursor at 650 °C and the high density pellets were obtained at temperatures lower than those commonly employed. The frequency and temperature dependence of the dielectric constant and the electrical conductivity of the Bi5NbO10 solid solutions were investigated in the 0.1 Hz to 1 MHz frequency range. Two distinct relaxation mechanisms were observed in the plots of dielectric loss and the imaginary part of impedance (Z″) versus frequency in the temperature range of 200–350 °C. The dielectric constant and the loss in the low frequency regime were electrode dependent. The ionic conductivity of Bi5NbO10 solid solutions at 700 °C is 2.86 Ω−1 m−1 which is in same order of magnitude for Y2O3-stabilized ZrO2 ceramics at same temperature. These results suggest that Bi5NbO10 is a promising material for an oxygen ion conductor.

Normal vibrations of N,N-dimethylacetamide

Infrared and Raman spectra of N,N-dimethylacetamide (DMA) are recorded and the normal vibrational analysis of the DMA skeleton as well as the entire molecule carried out employing the Urey-Bradley and modified Urey-Bradley force fields. Vibrational frequencies are assigned on the basis of the normal coordinate calculations and are compared with those of related molecules. Infrared spectra of metal complexes are examined to substantiate the band assignments.

A new ELISA plate based microtiter well assay for mycobacterial topoisomerase I for the direct screening of enzyme inhibitory monoclonal antibody supernatants

Antigen specific monoclonal antibodies present in crude hybridoma supernatants are normally screened by ELISA on plates coated with the relevant antigen. Screening for inhibitory monoclonals to enzymes would require the evaluation of purified antibodies or antibody containing supernatants for their inhibition of enzyme activity in a separate assay. However, screening for inhibitory antibodies against DNA transacting enzymes such as topoisomerase I (topo I) cannot be done using hybridoma supernatants due to the presence of nucleases in tissue culture media containing foetal calf serum which degrade the DNA substrates upon addition. We have developed a simple and rapid screening procedure for the identification of clones that secrete inhibitory antibodies against mycobacterial topo I using 96 well ELISA microtiter plates. The principle of the method is the selective capture of monoclonal antibodies from crude hybridoma supernatants by topo I that is tethered to the plate through the use of plate-bound polyclonal anti-topo I antibodies. This step allows the nucleases present in the medium to be washed off leaving the inhibitor bound to the tethered enzyme. The inhibitory activity of the captured antibody is assessed by performing an in situ DNA relaxation assay by the addition of supercoiled DNA substrate directly to the microtiter well followed by the analysis of the reaction products by agarose gel electrophoresis. The validity of this method was confirmed by purification of the identified inhibitory antibody and its evaluation in a DNA relaxation assay. Elimination of all enzyme-inhibitory constituents of the culture medium from the well in which the inhibitory antibody is bound to the tethered enzyme may make this method broadly applicable to enzymes such as DNA gyrases, restriction enzymes and other DNA transaction enzymes. Further, the method is simple and avoids the need of prior antibody purification for testing its inhibitory activity. (C) 2010 Elsevier B.V. All rights reserved.

Assessment of ultrasound modulation of near infrared light on the quantification of scattering coefficient

Purpose: To assess the effect of ultrasound modulation of near infrared (NIR) light on the quantification of scattering coefficient in tissue-mimicking biological phantoms.Methods: A unique method to estimate the phase of the modulated NIR light making use of only time averaged intensity measurements using a charge coupled device camera is used in this investigation. These experimental measurements from tissue-mimicking biological phantoms are used to estimate the differential pathlength, in turn leading to estimation of optical scattering coefficient. A Monte-Carlo model base numerical estimation of phase in lieu of ultrasound modulation is performed to verify the experimental results. Results: The results indicate that the ultrasound modulation of NIR light enhances the effective scattering coefficient. The observed effective scattering coefficient enhancement in tissue-mimicking viscoelastic phantoms increases with increasing ultrasound drive voltage. The same trend is noticed as the ultrasound modulation frequency approaches the natural vibration frequency of the phantom material. The contrast enhancement is less for the stiffer (larger storage modulus) tissue, mimicking tumor necrotic core, compared to the normal tissue. Conclusions: The ultrasound modulation of the insonified region leads to an increase in the effective number of scattering events experienced by NIR light, increasing the measured phase, causing the enhancement in the effective scattering coefficient. The ultrasound modulation of NIR light could provide better estimation of scattering coefficient. The observed local enhancement of the effective scattering coefficient, in the ultrasound focal region, is validated using both experimental measurements and Monte-Carlo simulations. (C) 2010 American Association of Physicists in Medicine. [DOI: 10.1118/1.3456441]

High efficiency infrared antireflection coatings (ARCs) for space optics

Simple ARC designs for germanium (Ge) optics useful in spaceborne electro-optical systems have been generated. It is seen that the designs which are non-quarterwave in nature are efficient in terms of spectral coverage and residual reflection loss. They have been realised experimentally and the resulting ARCs are found to have very good spectral and durability properties.

Biosorption of iron(III) from aqueous solutions using the husk of Cicer arientinum

Iron is a major pollutant released as a by-product during several industrial operations especially during acid mining of metal ores. In this paper, the use of Bengal gram husk (husk of channa dal, Cicer arientinum) in the biosorption of Fe(III) from aqueous solutions is discussed. Parameters like agitation time, adsorbent dosage and pH were studied at different Fe(Ill) concentrations. The adsorption data fit well with Langmuir and Freundlich isotherm models. The adsorption capacity (q(max)) calculated from the Langmuir isotherm was 72.16 mg of Fe(III)/g of the biosorbent at an initial pH of 2.5. Desorption Studies were performed at different concentrations of hydrochloric acid showing that quantitative recovery of the metal ion is possible. The infrared spectra of the biomass before and after treatment with Fe(III), revealed that hydroxyl, carboxyl and amide bonds are involved in the uptake of Fe(III) ions.

Dust aerosols over India and adjacent continents retrieved using METEOSAT infrared radiance Part II: quantification of wind dependence and estimation of radiative forcing

Long-range transport of continental dust makes these particles a significant constituent even at locations far from their sources. It is important to study the temporal variations in dust loading over desert regions and the role of meteorology, in order to assess its radiative impact. In this paper, infrared radiance (10.5-12.5 mu m), acquired by the METEOSAT-5 satellite (similar to 5-km resolution) during 1999 and 2003 was used to quantify wind dependence of dust aerosols and to estimate the radiative forcing. Our analysis shows that the frequency of occurrence of dust events was higher during 2003 compared to 1999. Since the dust production function depends mainly on the surface wind speed over regions which are dry and without vegetation, the role of surface wind on IDDI was examined in detail. It was found that an increase of IDDI with wind speed was nearly linear and the rate of increase in IDDI with surface wind was higher during 2003 compared to 1999. It was also observed that over the Indian desert, when wind speed was the highest during monsoon months (June to August), the dust production rate was lower because of higher soil moisture (due to monsoon rainfall). Over the Arabian deserts, when the wind speed is the highest during June to August, the dust production rate is also highest, as soil moisture is lowest during this season. Even though nothing can be said precisely on the reason why 2003 had a greater number of dust events, examination of monthly mean soil moisture at source regions indicates that the occurrence of high winds simultaneous with high soil moisture could be the reason for the decreased dust production efficiency in 1999. It appears that the deserts of Northwest India are more efficient dust sources compared to the deserts of Saudi Arabia and Northeast Africa (excluding Sahara). The radiative impact of dust over various source regions is estimated, and the regionally and annually averaged top of the atmosphere dust radiative forcing (short wave, clear-sky and over land) over the entire study region (0-35 degrees N; 30 degrees-100 degrees E) was in the range of -0.9 to +4.5 W m(-2). The corresponding values at the surface were in the range of -10 to -25 W m(-2). Our studies demonstrate that neglecting the diurnal variation of dust can cause errors in the estimation of long wave dust forcing by as much as 50 to 100%, and nighttime retrieval of dust can significantly reduce the uncertainties. A method to retrieve dust aerosols during nighttime is proposed. The regionally and annually averaged long wave dust radiative forcing was +3.4 +/- 1.6 W m(-2).

Carbon nanotube reinforced supramolecular gels with electrically conducting, viscoelastic and near-infrared sensitive properties

Pristine and long-chain functionalized single-walled carbon nanotubes (SWNTs) were incorporated successfully in supramolecular organogels formed by an all-trans tri(p-phenylenevinylene) bis-aldoxime to give rise to new nanocomposites with interesting mechanical, thermal and electrical properties. Variable-temperature UV-vis and fluorescence spectra reveal both pristine and functionalized SWNTs promote aggregation of the gelator molecules and result in quenching of the UV-vis and fluorescence intensity. Electron microscopy and confocal microscopy show the existence of a densely packed and directionally aligned fibrous network in the resulting nanocomposites. Differential scanning calorimetry (DSC) of the composites shows that incorporation of SWNTs increases the gel formation temperature. The DSC of the xerogels of 1-SWNT composites indicates formation of different thermotropic mesophases which is also evident from polarized optical microscopy. The reinforced aggregation of the gelators on SWNT doping was reflected in the mechanical properties of the composites. Rheology of the composites demonstrates the formation of a rigid and viscoelastic solid-like assembly on SWNT incorporation. The composites from gel-SWNTs were found to be semiconducting in nature and showed enhanced electrical conductivity compared to that of the native organogel. Upon irradiation with a near IR laser at 1064 nm for 5 min it was possible to selectively induce a gel-to-sol phase transition of the nanocomposites, while irradiation for even 30 min of the native organogel under identical conditions did not cause any gel-to-sol conversion.

Infrared Spectra of Dimethylquinolines in the Gas Phase: Experiment and Theory

Infrared spectra of atmospherically important dimethylquinolines (DMQs), namely 2,4-DMQ, 2,6-DMQ, 2,7-DMQ, and 2,8-DMQ in the gas phase at 80 degrees C were recorded using a long variable path-length cell. DFT calculations were carried out to assign the bands in the experimentally observed spectra at the B3LYP/6-31G* level of theory. The spectral assignments particularly for the C-H stretching modes could not be made unambiguously using calculated anharmonic or scaled harmonic frequencies. To resolve this problem, a scaled force field method of assignment was used. Assignment of fundamental modes was confirmed by potential energy distributions (PEDs) of the normal modes derived by the scaled force fields using a modified version of the UMAT program in the QCPE package. We demonstrate that for large molecules such as the DMQs, the scaling of the force field is more effective in arriving at the correct assignment of the fundamentals for a quantitative vibrational analysis. An error analysis of the mean deviation of the calculated harmonic, anharmonic, and force field fitted frequencies from the observed frequency provides strong evidence for the correctness of the assignment.