Search results for " Correlation"
showing 10 items of 1380 documents
Dual Substituent Parameter Modeling of Theoretical, NMR and IR Spectral Data of 5-Substituted Indole-2,3-diones
2002
Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS) and IR carbonyl group wave numbers [ν(C3â•ÂO)] were studied using dual substituent parameter (DSP) models for 5-substituted indole-2,3-diones. For the C7 atom a reverse substituent effect attributed to extended À-polarization was observed. On the other hand, the DSP approaches for the C3 atom showed normal substituent effects with some contribution of reverse effect supported strongly by 13C-SCS correlations. In the ν(C3â•ÂO) and p(C3â•ÂO) DSP correlations the field effect contribution predominates over the resonance effect, which justifies the using of earlier suggested vibrational cou…
THE ROLE OF UNBOUNDED TIME-SCALES IN GENERATING LONG-RANGE MEMORY IN ADDITIVE MARKOVIAN PROCESSES
2013
Any additive stationary and continuous Markovian process described by a Fokker–Planck equation can also be described in terms of a Schrödinger equation with an appropriate quantum potential. By using such analogy, it has been proved that a power-law correlated stationary Markovian process can stem from a quantum potential that (i) shows an x-2 decay for large x values and (ii) whose eigenvalue spectrum admits a null eigenvalue and a continuum part of positive eigenvalues attached to it. In this paper we show that such two features are both necessary. Specifically, we show that a potential with tails decaying like x-μ with μ < 2 gives rise to a stationary Markovian process which is not p…
Experimental investigation on BFRCM confinement of masonry cylinders and comparison with BFRP system
2021
Abstract Fabric reinforced cementitious mortar (FRCM) materials have started to be employed during the last years with the aim of overcoming the drawbacks related to the use of fibre reinforced polymer (FRP) composites, proving to be potentially suitable for strengthening masonry structures. Moreover, the will to develop materials able to guarantee a certain degree of sustainability without renouncing to adequate mechanical properties has drawn the attention to the use of basalt fibres, which appear to be a valid alternative to carbon or glass fibres. This work presents an experimental investigation on a basalt FRCM (BFRCM) system to confine circular masonry columns, aimed at evaluating the…
From tryptophan metabolism to peptide antibiotic production in Streptomyces coelicolor
2009
The tryptophan is a precursor of the lipopeptide calcium dependent antibiotic (CDA), produced from Streptomyces coelicolor and closely related to important antibiotics such as daptomycin. We have focused our attention on the correlation between CDA production and tryptophan metabolism in order to identify new strategies aimed at increasing the production of peptide antibiotics.
Ab initiomodeling of surface structure forSrTiO3perovskite crystals
2001
We present and discuss the results of calculations of ${\mathrm{SrTiO}}_{3}$ (100) surface relaxation and rumpling with two different terminations (SrO and ${\mathrm{TiO}}_{2}).$ These are based on ab initio Hartree-Fock method with electron correlation corrections and density functional theory calculations with different exchange-correlation functionals, including hybrid exchange techniques. Both approaches use the localized Gaussian-type basis set. All methods agree well on surface energies and on atomic displacements, as well as on considerable increase of covalency effects nearby the surface. More detailed experiments on surface rumpling and relaxation are necessary for further testing …
Space partitioning of exchange-correlation functionals with the projector augmented-wave method
2018
We implement a Becke fuzzy cells type space partitioning scheme for the purposes of exchange-correlation within the GPAW projector augmented-wave method based density functional theory code. Space partitioning is needed in the situation where one needs to treat different parts of a combined system with different exchange-correlation functionals. For example, bulk and surface regions of a system could be treated with functionals that are specifically designed to capture the distinct physics of those regions. Here, we use the space partitioning scheme to implement the quasi-nonuniform exchange-correlation scheme, which is a useful practical approach for calculating metallic alloys on the gene…
The oxidation state of a protein observed molecole-by-molecule.
2005
We report the observation of the redox state of the blue copper protein azurin on the single-molecule level. The fluorescence of a small fluorophore attached to the protein is modulated by the change in absorption of the copper center via fluorescence resonance energy transfer (FRET). In our model system, the fluorescence label Cy5 was coupled to azurin from Pseudomonas aeruginosa via cysteine K27C. The Cy5 fluorescence was partially quenched by the absorption of the copper center of azurin in its oxidized state. In the reduced state, absorption is negligible, and thus no quenching occurs. We report on single-molecule measurements, both in solution by using fluorescence correlation spectros…
Power sensitivity analysis of multi-frequency, multi-polarized, multi-temporal SAR data for soil-vegetation system variables characterization
2017
Abstract: The knowledge of spatial and temporal variability of soil water content and others soil-vegetation variables (leaf area index, fractional cover) assumes high importance in crop management. Where and when the cloudiness limits the use of optical and thermal remote sensing techniques, synthetic aperture radar (SAR) imagery has proven to have several advantages (cloud penetration, day/night acquisitions and high spatial resolution). However, measured backscattering is controlled by several factors including SAR configuration (acquisition geometry, frequency and polarization), and target dielectric and geometric properties. Thus, uncertainties arise about the more suitable configurati…
Two-particle azimuthal correlations in photonuclear ultraperipheral Pb+Pb collisions at 5.02 TeV with ATLAS
2021
We thank CERN for the very successful operation of the LHC, as well as the support staff from our institutions without whom ATLAS could not be operated efficiently. We acknowledge the support of ANPCyT, Argentina, YerPhI, Armenia, ARC, Australia, BMWFW and FWF, Austria, ANAS, Azerbaijan, SSTC, Belarus, CNPq and FAPESP, Brazil, NSERC, NRC, and CFI, Canada, CERN and ANID, Chile, CAS, MOST, and NSFC, China, COLCIENCIAS, Colombia, MSMT CR, MPO CR, and VSC CR, Czech Republic, DNRF and DNSRC, Denmark, IN2P3-CNRS and CEA-DRF/IRFU, France, SRNSFG, Georgia, BMBF, HGF, and MPG, Germany, GSRT, Greece, RGC and Hong Kong SAR, China, ISF and Benoziyo Center, Israel, INFN, Italy, MEXT and JSPS, Japan, CNR…
Airborne birch pollen in Poland and Latvia in the light of data obtained from aerobiological monitoring and tauber traps in relation to mean air temp…
2012
Birch pollen contains allergens belonging to those with the strongest allergenic properties. In order to trace pollen season patterns of this taxon and pollen annual sums at a wider regional scale, cooperation was established with the University of Latvia in Riga (Latvia). A comparison of the results obtained in the years 2003-2008 in Lublin and in Riga, using volumetric samplers, shows that there was a similar trend in the abundance of birch pollen. The highest sums were noted at both sites in 2003. In all the study years, more birch pollen grains were recorded in Lublin than in Riga, on the average by 7110. The birch pollen seasons started earlier in Lublin than in Riga, on the average by…