Search results for "Radius"
showing 10 items of 708 documents
Boolean Models: Maximum Likelihood Estimation from Circular Clumps
1990
This paper deals with the problem of making inferences on the maximum radius and the intensity of the Poisson point process associated to a Boolean Model of circular primary grains with uniformly distributed random radii. The only sample information used is observed radii of circular clumps (DUPAC, 1980). The behaviour of maximum likelihood estimation has been evaluated by means of Monte Carlo methods.
Monte Carlo simulation of polymers at interfaces
1993
Abstract Polymers at interfaces pose challenging problems to statistical physics because their configurations often differ greatly from the bulk. Computer simulation of coarse-grained models then gives valuable insight and allows stringent tests of various theoretical predictions. Three examples are briefly treated: chain configurations of B-chains in the surface-enriched B-rich layer of an (AB) binary polymer mixture; “frustrated” lamellar ordering in ultra-thin block-copolymer films; and the collapse of polymer brushes in bad solvents.
Oxygen Consuming Regions in EMT60/Ro Multicellular Tumour Spheroids Determined by Nonlinear Regression Analysis of Experimental PO2 Profiles
1987
Malignant cells can be studied in vitro, in a tumour-like microenvironment, by growing multicellular tumour spheroids in culture (Sutherland, McCredie and Inch, 1971). Franko and Sutherland (1979) utilized diffusion theory to explain the viable rim thicknesses of spheroids measured histologically. Without PO2 profiles, however, an unequivocal interpretation of their results was not possible. Systematic studies of the PO2 profiles in spheroids have since been made with oxygen microelectrodes by several groups (Carlsson et al., 1979; Kaufman et al., 1981; Mueller-Klieser and Sutherland, 1982a,b). Based on these measurements, new analyses utilizing diffusion theory are being developed to chara…
The Second APOKASC Catalog: The Empirical Approach
2018
We present a catalog of stellar properties for a large sample of 6676 evolved stars with APOGEE spectroscopic parameters and \textit{Kepler} asteroseismic data analyzed using five independent techniques. Our data includes evolutionary state, surface gravity, mean density, mass, radius, age, and the spectroscopic and asteroseismic measurements used to derive them. We employ a new empirical approach for combining asteroseismic measurements from different methods, calibrating the inferred stellar parameters, and estimating uncertainties. With high statistical significance, we find that asteroseismic parameters inferred from the different pipelines have systematic offsets that are not removed b…
Tetra-p-tolyl-verbindungen p-Tol4Si und p-Tol4Ge: Ein beitrag zur konfiguration der tetraaryl-methan-analoga Ar4M (M = C, Si, Ge, Sn, Pb)
1992
Abstract p-Tol4Si and p-Tol4Ge have been obtained from the reaction of p-TolLi with SiCl4 and of p-TolMgBr with GeCl4, respectively. The crystal structures have been determined and compared with those of the homologous compounds p-Tol4Sn and p-Tol4Pb. The latter two molecules (space group I 4 ) exhibit a S4 axis running between the aromatic groups and are shortened along this axis: all four p-Tol groups are closer together than in an undistorted tetrahedron. In the cases of the silane and germane (space group Pc), the tetrahedron is lengthened along one of the bond axes CM: only three of the four p-Tol groups are closer together, and the set up of a special molecular symmetry is blocked. A…
Chemistry of density : extension and structural origin of Carnelley's rule in chloroethanes
2012
Low-density liquids and solids, with all intermolecular contacts longer than the sum of van der Waals radii, are formed by all ethanes chlorinated at one locant: CH2ClCH3, CHCl2CH3 and CCl3CH3. The concepts of molecular symmetry described by Carnelley and that of point groups have been compared. Carnelley's rule, when applied to liquid and solid chloroethanes clearly reveals the density dependence on the presence of intermolecular Cl⋯Cl and H⋯Cl short contacts, or their absence due to steric hindrances of overcrowded substituents. At 2.62 GPa, CH2ClCH3 freezes directly into phase II, with molecules arranged into layers with short Cl⋯Cl, H⋯Cl and H⋯H contacts. Only for CH2ClCH3, both the low…
Tin( II ) and Lead( II ) 4‐Acyl‐5‐pyrazolonates: Synthesis, Spectroscopic and X‐ray Structural Characterization
2004
Novel tin(II) β-diketonate Sn(Q)2 complexes [HQ = 1-R1-3-R3-4-R4(C=O)-pyrazol-5-one; HQC: R1 = Ph, R3 = Me, R4 = Cy; HQS: R1 = Ph, R3 = Me, R4 = CHPh2; HQL: R1 = Ph, R3 = Me, R4 = CH2Ph; HQT: R1 = Ph, R3 = Me, R4 = CH2tBu; HQE: R1 = Ph, R3 = Me, R4 = Et; HQB: R1 = Ph, R3 = Me, R4 = tBu; HQW: R1 = Ph, R3 = Me, R4 = p-(tBu)Ph; HQR: R1 = Ph, R3 = Me, R4 = p-[(CH2)5CH3]Ph; HQN: R1 = p-NO2Ph, R3 = Me, R4 = Ph; HQM: R1 = Me, R3 = Me, R4 = Ph; HQD: R1 = Me, R3 = Me, R4 = Me; HQP: R1 = Ph, R3 = Ph, R4 = Ph; HQG: R1 = Ph, R3 = Ph, R4 = Me; HQF: R1 = p-CF3Ph, R3 = Me, R4 = Ph; HQH: R1 = p-CF3Ph, R3 = Me, R4 = Me] have been isolated and characterized by single-crystal X-ray diffraction analyses, IR, 1…
The solvent-excluding surface as a descriptor of ionic channels: Gramicidin-A
1998
Abstract We have set out a methodology for checking the performance of the methods used to compute the Solvent-Excluding Surface. The method consists of computing the area of the Solvent-Excluding Surface of a model of channel, with a fixed pore size, for several values of the solvent radius. The graphical representation of the value of the area versus the radius of the solvent sphere shows a sharp change just at the radius of the pore. With this model we may analyze the ability of each method to describe small changes of the surface. We made the study with GEPOL93, older versions of GEPOL and MSDOT. The study is applied to a natural protein channel, as is Gramicidin-A, showing that this ty…
GEPOL: An improved description of molecular surfaces. I. Building the spherical surface set
1990
The algorithm used by the program GEPOL to compute the Molecular Surface (MS), as defined by Richards, is presented in detail. GEPOL starts like other algorithms from a set of spheres with van der Waals radii, centered on the atoms or group of atoms of the molecule. GEPOL computes the MS by first searching the spaces inaccessible to the solvent and consequently filling them with a new set of spheres. Here we study the behavior of the method with its parameters, presenting several examples of application.
Semiflexible Polymers in Spherical Confinement: Bipolar Orientational Order Versus Tennis Ball States
2017
Densely packed semiflexible polymers with contour length L confined in spheres with radius R of the same order as L cannot exhibit uniform nematic order. Depending on the chain stiffness (which we vary over a wide range), highly distorted structures form with topological defects on the sphere surface. These structures are completely different from previously observed ones of very long chains winding around the inner surface of spheres and from nematic droplets. At high densities, a thin shell of polymers close to the sphere surface exhibits a tennis ball texture due to the confinement-induced gradual bending of polymer bonds. In contrast, when the contour length of the chains is significant…