Search results for "Linear correlation"
showing 10 items of 19 documents
How to reach optimal estimates of confidence intervals in microscopic counting of phytoplankton?
2021
Abstract Present practices in the microscopic counting of phytoplankton to estimate the reliability of results rely on the assumption of a random distribution of taxa in sample preparations. In contrast to that and in agreement with the literature, we show that aggregated distribution is common and can lead to over-optimistic confidence intervals, if estimated according to the shortcut procedure of Lund et al. based on the number of counted cells. We found a good linear correlation between the distribution independent confidence intervals for medians and those for parametric statistics so that 95% confidence intervals can be approximated by using a correction factor of 1.4. Instead, the rec…
From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations
2011
It is shown that a linear correlation exists between nuclear shielding constants for nine small inorganic and organic molecules (N2, CO, CO2, NH3, CH4, C2H2, C2H4, C2H6 and C6H6) calculated with 47 methods (42 DFT methods, RHF, MP2, SOPPA, SOPPA(CCSD), CCSD(T)) and the aug-cc-pVTZ-J basis set and corresponding complete basis set results, estimated from calculations with the family of polarization-consistent pcS-n basis sets. This implies that the remaining basis set error of the aug-cc-pVTZ-J basis set is very similar in DFT and CCSD(T) calculations. As the aug-cc-pVTZ-J basis set is significantly smaller, CCSD(T)/aug-cc-pVTZ-J calculations allow in combination with affordable DFT/pcS-n com…
Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations
2013
A linear correlation between isotropic nuclear magnetic shielding constants for seven model molecules (CH2O, H2O, HF, F2, HCN, SiH4 and H2S) calculated with 37 methods (34 density functionals, RHF, MP2 and CCSD(T)), with affordable pcS-2 basis set and corresponding complete basis set results, estimated from calculations with the family of polarization-consistent pcS-n basis sets is reported. This dependence was also supported by inspection of profiles of deviation between CBS estimated nuclear shieldings and shieldings obtained with the significantly smaller basis sets pcS-2 and aug-cc-pVTZ-J for the selected set of 37 calculation methods. It was possible to formulate a practical approach o…
Use of CD64 for the diagnosis of sepsis: a case-control study.
2010
CD64 is the high-affinity receptor of IgG. It is upregulated by inflammatory cytokines on neutrophils. The upregulation of CD64 is linked with PMN activation in SIRS or sepsis. Our aim is to verify these correlations.
Optical nonlinear correlation based on nonuniform subband decomposition
1999
We present a nonlinear correlation to improve the selectivity for optical pattern recognition. The approach is based on morphological correlation which involves a threshold decomposition concept. Hereby, we propose a subband decomposition in the Fourier domain to perform the threshold decomposition operation. We consider two frequency bands that give rise to two separate channels. We apply the morphological correlation to each channel using a localized threshold decomposition. Then, we define a two-channel morphological correlation. The final detection decision is made as a combination of both correlation outputs. The two-channel morphological correlation yields improved discrimination capa…
COMMUNICATION. OBSERVATIONS ON THE 121-Sb MÖSSBAUER PARAMETERS OF ANTIMONY (III) COMPOUNDS FEATURING A PYRAMIDAL SbS3SKELETAL UNIT
1991
Abstract A linear correlation between the chemical isomer shift and the quadrupole coupling constant for a number of antimony tris-thiolates has been evidenced. This behaviour can be rationalized on considering a modulation of the s/p character of the lone pair of electrons from the influence of secondary bonds.
From planar to nonplanar cyclotriphosphazenes
2008
Abstract A possible existence of planar (PNX 2 ) 3 cyclotriphosphazene, where X = H, F, Cl and Br, or nonplanar (PXNX) 3 was studied at the B3LYP/6-311++G ∗∗ and MP2/6-311++G ∗∗ level of calculations. A linear correlation of total electronic energy difference (Δ E = E nonplanar − E planar ) on electronegativity of the X substituent was observed. The more stable nonplanar form was predicted (Δ E = −43.49 kcal/mol) only in case of X = H. The remaining planar halogenocyclotriphosphazenes are more stable, in agreement with a few available experimental data.
The distribution of phthalate esters in indoor dust of Palermo (Italy).
2013
In this work, phthalic acid esters (PAEs): dimethyl phthalate (DMP), diethyl phthalate (DEP), di-n-butyl phthalate, benzyl butyl phthalate, bis(2-ethylhexyl) phthalate, and di-n-octyl phthalate in indoor dust (used as passive sampler) were investigated. The settled dust samples were collected from thirteen indoor environments from Palermo city. A fast and simple method using Soxhlet and GC–MS analysis has been optimized to identify and quantify the phthalates. Total phthalates concentrations in indoor dusts ranged from 269 to 4,831 mg/kg d.w. (d.w. = dry weight). The data show a linear correlation between total PAEs concentration and a single compound content, with the exclusion of the two …
Comparative G2(MP2) molecular orbital study of [H 3 AlX(CH 3 ) 2 ] − (X=N, P, and As) and H 3 AlY(CH 3 ) 2 (Y=O, S, and Se) donor–acceptor complexes
2001
Abstract [H3AlX(CH3)2]− (X=N, P, and As) and H3AlY(CH3)2 (Y=O, S, and Se) donor–acceptor complexes have been studied using G2(MP2) level of theory. The coordination mode, the structural and the methyl substitution effects upon complexation are analyzed. The interaction of the alane with the donor ligand is stronger in the anionic complexes than in the neutral ones and the methylated complexes are more stable than the hydrogenated ones. The coordination is ensured by tow interactions having a reverse character: interaction between a′ symmetry fragment molecular orbital (stabilizing) and interaction between a″ symmetry occupied molecular orbital (destabilizing) of the two fragments. A linear …
Kidney size in childhood sonographical growth charts for kidney length and volume
1985
Kidney size was determined in a sonographic study of 325 children without kidney pathology. Real-time ultrasound equipment adjusted for the pediatric age group, provided standardized renal biometry. Outer kidney diameters showed a linear correlation to somatic developmental parameters. Renal volume was established by the formula for an ellipsoid and showed good correlation to body weight. Growth charts for kidney length and volume in childhood are constructed and provide the basis for objective intra- and interindividual determination of renal size.