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Crystal structure of 4-(4-meth-oxy-phen-yl)-4',4'-dimethyl-3-p-tolyl-3',4'-di-hydro-1'H,3H-spiro-[isoxazole-5,2'-naphthalen]-1'-one.
2015
In the title compound, C28H27NO3, the cyclohexanone and isoxazole rings have envelope conformations, with the methylene and spiro C atoms as the flaps, respectively. The mean plane of the isoxazole ring is inclined slightly to thep-tolyl ring, making a dihedral angle of 14.20 (9)°, and is nearly perpendicular to the mean plane through the tetralone moiety and to the methoxyphenyl ring [dihedral angles = 83.41 (8) and 72.12 (9)°, respectively]. The crystal packing is stabilized mainly by van der Waals forces.
Approximate Taylor methods for ODEs
2017
Abstract A new method for the numerical solution of ODEs is presented. This approach is based on an approximate formulation of the Taylor methods that has a much easier implementation than the original Taylor methods, since only the functions in the ODEs, and not their derivatives, are needed, just as in classical Runge–Kutta schemes. Compared to Runge–Kutta methods, the number of function evaluations to achieve a given order is higher, however with the present procedure it is much easier to produce arbitrary high-order schemes, which may be important in some applications. In many cases the new approach leads to an asymptotically lower computational cost when compared to the Taylor expansio…
A study of the atmospherically important reactions of dimethylsulfide (DMS) with I2 and ICl using infrared matrix isolation spectroscopy and electron…
2012
The reactions of dimethylsulfide (DMS) with molecular iodine (I(2)) and iodine monochloride (ICl) have been studied by infrared matrix isolation spectroscopy by co-condensation of the reagents in an inert gas matrix. Molecular adducts of DMS + I(2) and DMS + ICl have also been prepared using standard synthetic methods. The vapour above each of these adducts trapped in an inert gas matrix gave the same infrared spectrum as that recorded for the corresponding co-condensation reaction. In each case, the infrared spectrum has been interpreted in terms of a van der Waals adduct, DMS : I(2) and DMS : ICl, with the aid of infrared spectra computed for their minimum energy structures at the MP2 lev…
Dynamics of Strongly Coupled Modes between Surface Plasmon Polaritons and Photoactive Molecules: The Effect of the Stokes Shift
2017
We have investigated the dynamics of strongly coupled modes of surface plasmon polaritons (SPPs) and fluorescent molecules by analyzing their scattered emission polarization. While the scattered emission of SPPs is purely transverse magnetic (TM) polarized, the strong coupling with molecules induces transverse electric (TE) polarized emission via the partial molecular nature of the formed SPP–molecule polariton mode. We observe that the TM/TE ratio of the polariton emission follows the contribution of the molecular excited states in this hybrid mode. By using several types of molecules, we observe that, in addition to the coupling strength, which determines the contribution of the molecular…
Inter-area oscillations in the 500-kV Vietnamese power system
2019
The paper presents the study of the 500-kV Vietnamese power system. The oscillatory response of the system is analyzed both with a modal analysis and a time domain analysis. The 500-kV system of Vietnam is modeled in details, including all the power plants with the corresponding regulators. The model is developed in collaboration with the Institute of Energy Science IES-VAST of Vietnam and it is validated with the data provided by the National Load Dispatch Centre (NLDC) of Vietnam. The simulation results reveal a clear identification of potential inter-area oscillations between North and South of the Country. A worsening of the observed phenomenon should be considered as possible, especial…
Validity and Reliability of a New Optoelectronic System for Measuring Active Range of Motion of Upper Limb Joints in Asymptomatic and Symptomatic Sub…
2019
The aim of this study was to evaluate the validity of the Veloflex infrared dynamic angle-meter (Veloflex-IDA) and the intra- and inter-rater reliability when measuring the ranges of motion (ROMs) of the upper limb joints. Thirty-five healthy and 20 symptomatic participants were evaluated. Twelve upper limb movements were measured in two sessions with the Veloflex-IDA, which is a device composed of a camera that tracks the trajectory of retro-reflective markers. In addition, a goniometer was used in the first session to evaluate concurrent validity. Validity and agreement were evaluated by Pearson correlation coefficient (r) and Bland&ndash
Bayesian Hierarchical Models for Random Routes in Finite Populations
1996
In many practical situations involving sampling from finite populations, it is not possible (or it is prohibitely expensive) to access, or to even produce, a listing of all of the units in the population. In these situations, inferences can not be based on random samples from the population. Random routes are widely used procedures to collect data in absence of well defined sampling frames, and they usually have either been improperly analyzed as random samples, or entirely ignored as useless. We present here a Bayesian analysis of random routes that incorporates the information provided but carefully takes into account the non- randomness in the selection of the units.
Population processes under the influence of disasters occurring independently of population size
1989
Markov branching processes and in particular birth-and-death processes are considered under the influence of disasters that arrive independently of the present population size. For these processes we derive an integral equation involving a shifted and rescaled argument. The main emphasis, however, is on the (random) probability of extinction. Its distribution density satisfies an equation which can be solved numerically at least up to a multiplicative constant. In an example it is also found by simulation.
The use of Markovian metapopulation models: Reducing the dimensionality of transition matrices by self-organizing Kohonen networks
2006
Abstract Markovian population models are used in conservation biology to find an accurate estimate of a population's extinction probability. Such models require handling of large transition matrices and calculations are thus extremely time-consuming when large populations have to be studied. To accomplish these problems, some authors have suggested to group together several states/sizes of the population. Unfortunately, this so-called binning frequently results in errors in estimates obtained. The main problem with binning is that it assumes that grouped states behave nearly identical with respect to the underlying stochastic population process and that so far binning methods implicitly vio…
Testing international dental maturation scoring system and population-specific Demirjian versions on Saudi sub-population
2013
Objectives: The purpose of this study was to test the applicability of the Demirjian method and revised versions for estimating chronological age (CA) from dental age (DA) in a sample of children. Study Design: A sample of 252 individuals of known age (4 to 14 yrs), sex (males: 125, females: 127), and ethnicity (Saudi) was collected. Each individual was aged using the original Demirjian method and revised versions, including Saudi, Kuwaiti, Belgian, and revised international curves. The differences between dental age and chronological age were analyzed using paired sample t-tests with Bonferroni corrections and multinomial regression tests at the 0.05 level of significance. Results: The res…