Search results for "Discriminant analysi"
showing 10 items of 230 documents
Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays
2022
A method to identify molecular scaffolds potentially active against the Mycobacterium tuberculosis complex (MTBC) is developed. A set of structurally heterogeneous agents against MTBC was used to obtain a mathematical model based on topological descriptors. This model was statistically validated through a Leave-n-Out test. It successfully discriminated between active or inactive compounds over 86% in database sets. It was also useful to select new potential antituberculosis compounds in external databases. The selection of new substituted pyrimidines, pyrimidones and triazolo[1,5-a]pyrimidines was particularly interesting because these structures could provide new scaffolds in this field. T…
Classification of Spanish Unifloral Honeys by Discriminant Analysis of Electrical Conductivity, Color, Water Content, Sugars, and pH
2001
To ascertain the most discriminant variables for seven types of Spanish commercial unifloral honeys, stepwise discriminant analysis was performed. Fifteen parameters [pH; water content; electrical conductivity; x, y, and L, chromatic coordinates from the CIE-1931 (xyL) color space; fructose; glucose; sucrose; maltose; isomaltose; maltulose; kojibiose; and the fructose/glucose and glucose/water ratios] were considered. The studied honey types were rosemary, citrus, lavender, sunflower, eucalyptus, heather, and forest. The most discriminant variables, as selected by the multivariate program, were electrical conductivity, color (x, y, L), water content, fructose, and sucrose. All sunflower, eu…
Laser-light backscattering imaging for early decay detection in citrus fruit using both a statistical and a physical model
2015
Abstract The early detection of decay caused by fungi in citrus fruit is a primary concern in the post-harvest phase, the automation of this task still being a challenge. This work reports new progress in the automatic detection of early symptoms of decay in citrus fruit after infection with the pathogen Penicillium digitatum using laser-light backscattering imaging. Backscattering images of sound and decaying parts of the surface of oranges cv. ‘Valencia late’ were obtained using laser diode modules emitting at five wavelengths in the visible and near-infrared regions. The images of backscattered light captured by a camera had radial symmetry with respect to the incident point of the laser…
Vine leaf roughness estimation by image processing
2013
International audience; The application of plant protection product has an important role in agricultural production processes. With current pesticides management, a huge amount of them are applied to worldwide orchards. In precision spraying, spray application efficiency depends on the pesticide application method, the phytosanitary product as well as the leaf surface properties. For environmental and economic reasons, the global trend is to reduce the pesticide application rate of the few approved active substances. Under these constraints, one of the challenges is to improve the efficiency of pesticide application. Different parameters can influence pesticide application such as nozzle t…
Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: The nitroindazolinone chemotype
2011
In this report, we propose the combination of computational methods and in vivo primary screening in zebrafish larvae and confirmatory in mice models as a novel strategy to accelerate anti-inflammatory drug discovery. Initially, a database of 1213 organic chemicals with great structural variability - 587 of them anti-inflammatory agents plus 626 compounds with other clinical uses - was divided into training and test groups. Atom-based quadratic indices - a TOMOCOMD-CARDD molecular descriptors family - and linear discriminant analysis (LDA) were used to develop a total of 13 models to describe the anti-inflammatory activity. The best model (Eq. (13)) shows an accuracy of 87.70% in the traini…
Nasal chemosensory tests: biomarker between dementia with Lewy bodies and Parkinson disease dementia.
2020
BACKGROUND: Dementia with Lewy bodies (DLB) and Parkinson disease dementia (PDD) are progressive and disabling neurodegenerative disorders, which are often misdiagnosed due to theirs overlapping clinical and paraclinical features. Nevertheless, their adequate management requires an accurate differential diagnosis. The main aim of this study was to investigate the usefulness of olfactory and trigeminal nasal testing for the differential diagnosis between DLB and PDD. METHODS: Odor thresholds to three odorants differentially activating the olfactory and trigeminal systems were assessed in patients with DLB, PDD and healthy controls (n = 20 per group). RESULTS: Odor thresholds were significant…
High Performance Liquid Chromatografy-Mass Spectrometry based chemometric characterization of olive oils
2005
In this study the effective discrimination of extra virgin olive oils is described using HPLC-MS, combined with chemometric evaluation. The presented method is simple since the diluted oil sample is directly injected into the system, without any preliminary chemical derivatization or purification step. Separation of diacylglycerols, triacylglycerols and sterols occurs within 20 min and is achieved using an octadecyl-silica column. Detection is performed by positive APCI mass spectrometry which provided sensitivity to detect over 50 compounds in the sample. After extraction of data, stepwise discriminant function analysis is used to select the variables with the highest discriminative power.…
Use of QSAR methods for predicting the chemiluminescent behaviour of organic compounds upon reaction with potassium permanganate in an acid medium
2009
In previous work, molecular connectivity computations were successfully used to predict the chemiluminescent behaviour of organic compounds upon reaction with common strong oxidants and the native fluorescence too; both of them in a liquid phase. The obtained results were used to develop new analytical procedures to the given compounds. For the first time, connectivity methods were used for a purely analytical purpose. In this work, we went deeper into the knowledge of direct chemiluminescence processes by using molecular connectivity in the form of QSAR methods to predict the chemiluminescence intensity produced by reactions between organic compounds (pharmaceuticals mainly) and potassium …
A functional multivariate analysis of Mesopithecus (Primates: Colobinae) humeri from the Turolian of Greece.
2012
12 pages; International audience; The genus Mesopithecus is well represented in the late Miocene of Greece by several recognized species. The present paper investigates functional aspects of the humeri of Mesopithecus delsoni/pentelicus, M. pentelicus and M. aff. pentelicus of several Turolian sites from central and northern Greece, using multivariate approaches. For these purposes, we selected significant humeral functional features, which were represented by 23 linear dimensions and three angles on 14 fossil humeri and 104 humeri from 10 genera and 22 species of extant African and Asian Colobines. All size-adjusted measurements were examined through a principal components analysis, follow…
A new brachycladiid species (Digenea) from Gervais’ beaked whale Mesoplodon europaeus in north-western Atlantic waters
2014
AbstractA new species of the digenean family Brachycladiidae Odhner, 1905 is described from the bile ducts of a Gervais’ beaked whale Mesoplodon europaeus Gervais (Ziphiidae) stranded on the North Atlantic coast of Florida. These parasites were assigned to Brachycladium Looss, 1899 and differed from other species of the genus in the relative size of the oral and ventral suckers, the form and size of the eggs and their extremely small body size. A canonical discriminant analysis was used to examine differences between these specimens and the smallest available individuals of B. atlanticum (Abril, Balbuena and Raga, 1991) Gibson, 2005, considered the morphologically closest species. The overa…