286 research outputs found
Confinement and electron correlation effects in photoionization of atoms in endohedral anions: Ne@C60^{z-}
Trends in resonances, termed confinement resonances, in photoionization of
atoms A in endohedral fullerene anions A@C60^{z-} are theoretically studied and
exemplified by the photoionization of Ne in Ne@C{60}^{z-}. Remarkably, above a
particular nl ionization threshold of Ne in neutral Ne@C60 (I_{nl}^{z=0}),
confinement resonances in corresponding partial photoionization cross sections
sigma_{nl} of Ne in any charged Ne@C60^{z-} remain almost intact by a charge z
on the carbon cage, as a general phenomenon. At lower photon energies, omega <
I_{nl}^{z=0}, the corresponding photoionization cross sections develop
additional, strong, z-dependent resonances, termed Coulomb confinement
resonances, as a general occurrence. Furthermore, near the innermost 1s
ionization threshold, the 2p photoionization cross section sigma_{2p} of the
outermost 2p subshell of thus confined Ne is found to inherit the confinement
resonance structure of the 1s photoionization spectrum, via interchannel
coupling. As a result, new confinement resonances emerge in the 2p
photoionization cross section of the confined Ne atom at photoelectron energies
which exceed the 2p threshold by about a thousand eV, i.e., far above where
conventional wisdom said they would exist. Thus, the general possibility for
confinement resonances to resurrect in photoionization spectra of encapsulated
atoms far above thresholds is revealed, as an interesting novel general
phenomenon.Comment: 6 pages, 4 figures, Latex2e, jpconf.cls styl
A tracked approach for automated NMR assignments in proteins (TATAPRO)
A novel automated approach for the sequence specific NMR assignments of 1HN, 13Cα, 13Cβ, 13C'/1Hα and 15N spins in proteins, using triple resonance experimental data, is presented. The algorithm, TATAPRO (Tracked AuTomated Assignments in Proteins) utilizes the protein primary sequence and peak lists from a set of triple resonance spectra which correlate 1HN and 15N chemical shifts with those of 13Cα, 13Cβ and 13C'/1Hα. The information derived from such correlations is used to create a 'master list' consisting of all possible sets of 1HN i, 15Ni, 13Cα i, 13Cβ i, 13C'i/1Hα i, 13Cα i-1, 13Cβ i-1 and 13C'i-1/ 1Hα i-1 chemical shifts. On the basis of an extensive statistical analysis of 13Cα and 13Cβ chemical shift data of proteins derived from the BioMagResBank (BMRB), it is shown that the 20 amino acid residues can be grouped into eight distinct categories, each of which is assigned a unique two-digit code. Such a code is used to tag individual sets of chemical shifts in the master list and also to translate the protein primary sequence into an array called pps array. The program then uses the master list to search for neighbouring partners of a given amino acid residue along the polypeptide chain and sequentially assigns a maximum possible stretch of residues on either side. While doing so, each assigned residue is tracked in an array called assig array, with the two-digit code assigned earlier. The assig_array is then mapped onto the pps array for sequence specific resonance assignment. The program has been tested using experimental data on a calcium binding protein from Entamoeba histolytica (Eh-CaBP, 15 kDa) having substantial internal sequence homology and using published data on four other proteins in the molecular weight range of 18-42 kDa. In all the cases, nearly complete sequence specific resonance assignments (> 95%) are obtained. Furthermore, the reliability of the program has been tested by deleting sets of chemical shifts randomly from the master list created for the test proteins
Deformation effects in Ni nuclei produced in Si+Si at 112 MeV
Velocity and energy spectra of the light charged particles (protons and
-particles) emitted in the Si(E = 112 MeV) + Si
reaction have been measured at the Strasbourg VIVITRON Tandem facility. The
ICARE charged particle multidetector array was used to obtain exclusive spectra
of the light particles in the angular range 15 - 150 degree and to determine
the angular correlations of these particles with respect to the emission angles
of the evaporation residues. The experimental data are analysed in the
framework of the statistical model. The exclusive energy spectra of
-particles emitted from the Si + Si compound system are
generally well reproduced by Monte Carlo calculations using spin-dependent
level densities. This spin dependence approach suggests the onset of large
deformations at high spin. A re-analysis of previous -particle data
from the Si + Si compound system, using the same spin-dependent
parametrization, is also presented in the framework of a general discussion of
the occurrence of large deformation effects in the A ~ 60 mass region.Comment: 25 pages, 6 figure
Refined procedures for accurate determination of solution structures of nucleic acids by two dimensional nuclear magnetic resonance spectroscopy
New procedures have been described for accurate determination of solution structures of nucleic acids. These are two fold; new two dimensional nuclear magnetic resonance techniques and better approaches for interpretation of nuclear magnetic resonance data for structure determination purposes. The significant development in two dimensional nuclear magnetic resonance techniques for this purpose are ω1 -scaling and recording of pure phase spectra. Use ofω1-scaled correlated and nuclear Overhauser effect spectra for estimation of interproton distances and 1H-1H coupling constants has been described. Computer simulation procedures for exact determination of structure have been described. Experimental spectra demonstrating the application of new procedures have been presented
Towards biochemical fuel cells
A biochemical fuel cell is a device which converts chemical energy into electrical power. The catalysts used in this process can be either inorganic or organic type giving rise to 'inorganic fuel cells' or 'biochemical fuel cells', respectively. Biochemical fuel cells use either micro-organism or enzymes as active components to carry out electrochemical reactions. The efficiency of such a device theoretically can be as high as 90%. The difficulty in attaining these values arises due to sluggishness of electron transfer from active site to conducting electrode. This can be overcome by using mediators or by immobilizing active components on conducting electrode. We have immobilizedfad-glucose oxidase on a graphite electrode using a semiconducting chain as a bridge. At the present stage of development, such a device tacks high current densities, which is essential for commercial power generation but can be used in applications such as pacemakers and glucose sensors
Recognition schemes for protein-nucleic acid interactions
The molecular forces involved in protein-nucleic acid interaction are electrostatic, stacking and hydrogen-bonding. These interactions have a certain amount of specificity due to the directional nature of such interactions and the spatial contributions of the steric effects of different substituent groups. Quantum chemical calculations on these interactions have been reported which clearly bring out such features. While the binding energies for electrostatic interactions are an order of magnitude higher, the differences in interaction energies for structures stabilised by hydrogen-bonding and stacking are relatively small. Thus, the molecular interactions alone cannot explain the highly specific nature of binding observed in certain segments of proteins and nucleic acids. It is therefore logical to assume that the sequence dependent three dimensional structures of these molecules help to place the functional groups in the correct geometry for a favourable interaction between the two molecules. We have carried out 2D-FT nuclear magnetic resonance studies on the oligonucleotide d-GGATCCGGATCC. This oligonucleotide sequence has two binding sites for the restriction enzyme Bam H1. Our studies indicate that the conformation of this DNA fragment is predominantly B-type except near the binding sites where the ribose ring prefers a3E conformation. This interesting finding raises the general question about the presence of specificity in the inherent backbone structures of proteins and nucleic acids as opposed to specific intermolecular interactions which may induce conformational changes to facilitate such binding
New identities involving q-Euler polynomials of higher order
In this paper we give new identities involving q-Euler polynomials of higher
order.Comment: 11 page
IDENTIFICATION OF IRON OXIDES MINERALS IN WESTERN JAHAJPUR REGION, INDIA USING AVIRIS-NG HYPERSPECTRAL REMOTE SENSING
Hyperspectral remote sensing is being considered as an advanced technique for mineral identification of surficial deposits. In this research different iron oxides minerals such as limonite, goethite has been identified using AVIRIS-NG airborne hyperspectral remote sensing covering the Omkarpura, Itwa, and Chhabadiya mines area in Jahajpur Bhilwara, Rajasthan, India. AVIRIS-NG has shown robust performance in iron oxide identification in the study area. Mineral spectral signatures of the AVIRIS-NG data were compared with spectra of USGS spectral library, and field investigated mineral spectra of iron oxides and found very promising. The results allow us to conclude that due the high signal to noise ratios of the AVIRIS-NG, it is capable to identify the different iron bearing minerals in the visible and infrared portion of the electromagnetic spectrum
Recommended from our members
The hazardous 2017–2019 surge and river damming by Shispare Glacier, Karakoram
In 2017–2019 a surge of Shispare Glacier, a former tributary of the once larger Hasanabad Glacier (Hunza region), dammed the proglacial river of Muchuhar Glacier, which formed an ice-dammed lake and generated a small Glacial Lake Outburst Flood (GLOF). Surge movement produced the highest recorded Karakoram glacier surface flow rate using feature tracking (~18 ± 0.5 m d−1) and resulted in a glacier frontal advance of 1495 ± 47 m. The surge speed was less than reports of earlier Hasanabad advances during 1892/93 (9.3 km) and 1903 (9.7 km). Surges also occurred in 1973 and 2000–2001. Recent surges and lake evolution are examined using feature tracking in satellite images (1990–2019), DEM differencing (1973–2019), and thermal satellite data (2000–2019). The recent active phase of Shispare surge began in April 2018, showed two surface flow maxima in June 2018 and May 2019, and terminated following a GLOF on 22–23 June 2019. The surge likely had hydrological controls influenced in winter by compromised subglacial flow and low meltwater production. It terminated during summer probably because increased meltwater restored efficient channelized flow. We also identify considerable heterogeneity of movement, including spring/summer accelerations
- …