Search results for "deviation"
showing 10 items of 367 documents
Parallelized Clustering of Protein Structures on CUDA-Enabled GPUs
2014
Estimation of the pose in which two given molecules might bind together to form a potential complex is a crucial task in structural biology. To solve this so-called "docking problem", most algorithms initially generate large numbers of candidate poses (or decoys) which are then clustered to allow for subsequent computationally expensive evaluations of reasonable representatives. Since the number of such candidates ranges from thousands to millions, performing the clustering on standard CPUs is highly time consuming. In this paper we analyze and evaluate different approaches to parallelize the nearest neighbor chain algorithm to perform hierarchical Ward clustering of protein structures usin…
Near-infrared diffuse reflectance spectroscopy and neural networks for measuring nutritional parameters in chocolate samples.
2007
Abstract A rapid and non-destructive method has been developed for the characterization of chocolate samples based on diffuse reflectance near-infrared Fourier transform spectroscopy (DRIFTS) and artificial neural networks (ANNs). This methodology provides a potentially useful alternative to time-consuming chemical methods of analysis. To assess its utility, 36 chocolate samples purchased from the Spanish market were analyzed for the determination of the main nutritional parameters like carbohydrates, fat, proteins, energetic value and cocoa content. Direct triplicate measurements of each sample were carried out by DRIFTS. Cluster hierarchical analysis was used for selecting calibration and…
L-band vegetation optical depth seasonal metrics for crop yield assessment
2018
Attenuation of surface microwave emission due to the overlying vegetation is proportional to the density of the canopy and to its water content. The vegetation optical depth (VOD) parameter measures this attenuation. VOD could be a valuable source of information on agroecosystems, especially at lower frequencies for which greater portion of the vegetation canopy contributes to the observed brightness temperature. In the past, visible-infrared indices have been used to provide yield estimates based on measuring the photosynthetic activity from the surface canopy layer. These indices are affected by clouds and apply only in the presence of solar illumination. In this study we instead use the …
The mixed capacitated general routing problem with turn penalties
2011
In this paper we deal with the mixed capacitated general routing problem with turn penalties. This problem generalizes many important arc and node routing problems, and it takes into account turn penalties and forbidden turns, which are crucial in many real-life applications, such as mail delivery, waste collection and street maintenance operations. Through a polynomial transformation of the considered problem into a Generalized Vehicle routing problem, we suggest a new approach for solving this new problem by transforming it into an Asymmetric Capacitated Vehicle routing problem. In this way, we can solve the new problem both optimally and heuristically using existing algorithms. A powerfu…
Calcifying phytoplankton standing stocks in the North Pacific from the R/V Kilo Moana cruise KM1712
2022
This dataset compiles the CaCO3 standing stocks of living coccolithophores (mg/m³), of detached coccoliths (mg/m³) and the integrated CaCO3 standing stocks of coccolithophores (mg/m²). The samples were collected in the North Pacific between Hawaii and the Gulf of Alaska during the R/V Kilo Moana cruise KM1712 in August 2017, with rosette Niskin bottles equiped with CTD (Sea-Bird SBE 9) at different depths throughout the photic zone including the deep chlorophyll maximum. To estimate the CaCO3 contribution by coccolithophore assemblages in each sample, we carried out the transformation of coccospheres in number of coccoliths, following the estimates by Yang and Wei (2003), and then we adopte…
On the statistical properties of the capacity of OSTBC Nakagami-lognormal MIMO channels
2010
This article presents a thorough statistical analysis of the capacity of orthogonal space-time block coded (OSTBC) Nakagami-lognormal (NLN) multiple-input multipleoutput (MIMO) channels. The NLN channel model allows to study the joint effects of fast fading and shadowing on the statistical properties of the channel capacity. We have derived exact analytical expressions for the probability density function (PDF), cumulative distribution function (CDF), level-crossing rate (LCR), and average duration of fades (ADF) of the capacity of NLN MIMO channels. It is observed that an increase in the MIMO dimension1 or a decrease in the severity of fading results in an increase in the mean channel capa…
The infrared spectrum of CH 3 D between 900 and 3200 cm −1 : extended assignment and modeling
2000
Abstract The high resolution infrared spectrum of CH 3 D in the region from 900 to 3200 cm −1 has been analyzed on the basis of Fourier transform spectra recorded at Kitt Peak and at Giessen. A theoretical model for an effective hamiltonian in terms of irreducible tensor operators recently adapted to symmetric top molecules has been used in order to consider simultaneously all available transitions between the lowest three polyads of the molecule: the Ground State (G.S.), the Triad (three interacting fundamental bands in the 8 μm region) and the Nonad (nine interacting bands in the 4 μm region). A preliminary simultaneous fit of 3467 Triad–G.S., 5208 Nonad–G.S., and 2487 Nonad–Triad (hot ba…
Approaches to characterise chromatographic column performance based on global parameters accounting for peak broadening and skewness.
2009
Peak broadening and skewness are fundamental parameters in chromatography, since they affect the resolution capability of a chromatographic column. A common practice to characterise chromatographic columns is to estimate the efficiency and asymmetry factor for the peaks of one or more solutes eluted at selected experimental conditions. This has the drawback that the extra-column contributions to the peak variance and skewness make the peak shape parameters depend on the retention time. We propose and discuss here the use of several approaches that allow the estimation of global parameters (non-dependent on the retention time) to describe the column performance. The global parameters arise f…
Immobilization of reagents by polymeric materials. Determination of metamizol
1992
Abstract A method for immobilization of inorganic reagents, based on the dispersion of the reagent into an unsaturated polyester solution is applied to immobilization of lead dioxide. The obtained solid is of application in a flow-injection manifold for indirect atomic absorption determination of metamizol in pharmaceutical formulations. The procedure gives a linear calibration graph up to 6 ppm of metamizol with a relative standard deviation of 1.6% (3.0 mg/l) and a sample throughput of 72 hr−1.
Determination of trichothecenes in chicken liver using gas chromatography coupled with triple-quadrupole mass spectrometry
2018
Abstract Chicken meat and edible offal are included in a wide number of preparations in the worldwide cuisine. Among the offal, the liver is one of the most consumed in some countries like Egypt since it is rich in proteins and is an economical source of many essential nutrients for humans. Mycotoxins, secondary toxic metabolites produced by fungi, have the potential to enter human food chain not only with cereal consumption but also through edible tissues from animals fed with mycotoxin-contaminated feed. Accordingly, a rapid method for the determination of eight trichothecenes in chicken liver was developed based on a quick, easy, cheap, effective, rugged and safe (QuEChERS) extraction an…