Filtry
wszystkich: 98
Wyniki wyszukiwania dla: Molecular descriptors
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublikacjaMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublikacjaDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublikacjaDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Reversed-Phase TLC and HPLC Retention Data in Correlation Studies with in Silico Molecular Descriptors and Druglikeness Properties of Newly Synthesized Anticonvulsant Succinimide Derivatives
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublikacjaA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Combined computational-experimental approach to predict blood–brain barrier (BBB) permeation based on “green” salting-out thin layer chromatography supported by simple molecular descriptors
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Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
PublikacjaThe present study describes a simple procedure to separate into patterns of similarity a large group of solvents, 259 in total, presented by 15 specific descriptors (experimentally found and theoretically predicted physicochemical parameters). Solvent data is usually characterized by its high variability, dierent molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately...
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublikacjaThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublikacjaIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
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Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening
PublikacjaBeta-glucosidase inhibitors play important medical and biological roles. In this study, simple two-variable artificial neural network (ANN) classification models were developed for beta-glucosidase inhibitors screening. All bioassay data were obtained from the ChEMBL database. The classifiers were generated using 2D molecular descriptors and the data miner tool available in the STATISTICA package (STATISTICA Automated Neural...
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Retention modeling of some saccharides separated on an amino column.
PublikacjaUsing an amino column (Supelcosil LC-NH2) and different mixtures of acetonitrile-water, quantitative structure-retention relationship models are discussed. These models are based on computed molecular descriptors representing numerically structured features of some saccharides. The obtained results are underlining the lipophilicity/hydrophilicity balance, and how this is controlling the separation of the saccharides. The resulting...
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Towards Rational Biosurfactant Design—Predicting Solubilization in Rhamnolipid Solutions
PublikacjaThe efficiency of micellar solubilization is dictated inter alia by the properties of the solubilizate, the type of surfactant, and environmental conditions of the process. We, therefore, hypothesized that using the descriptors of the aforementioned features we can predict the solubilization efficiency, expressed as molar solubilization ratio (MSR). In other words, we aimed at creating a model to find the optimal surfactant and...
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In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions
PublikacjaIn this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e....
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Multicomponent ionic liquid CMC prediction
PublikacjaWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
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Selection of effective cocrystals former for dissolution rate improvement of active pharmaceutical ingredients based on lipoaffinity index
PublikacjaNew theoretical screening procedure was proposed for appropriate selection of potential cocrystal formers possessing the ability of enhancing dissolution rates of drugs. The procedure relies on the training set comprising 102 positive and 17 negative cases of cocrystals found in the literature. Despite the fact that the only available data were of qualitative character, performed statistical analysis using binary classification...
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Synthesis, Molecular Structure, Anticancer Activity, and QSAR Study of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)Benzenesulfonamide Derivatives
PublikacjaA series of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)benzenesulfonamides were synthesized from 4-amino-N-(aryl/heteroaryl)benzenesulfonamides and 2,5-dimethoxytetrahydrofuran. All the synthesized compounds were evaluated for their anticancer activity on HeLa, HCT-116, and MCF-7 human tumor cell lines. Compound 28, bearing 8-quinolinyl moiety, exhibited the most potent anticancer activity against the HCT-116, MCF-7, and HeLa cell lines,...
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublikacjaDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublikacjaTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublikacjaBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublikacjaOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Synthesis, Molecular Structure, Metabolic Stability and QSAR Studies of a Novel Series of Anticancer N-Acylbenzenesulfonamides
PublikacjaA series of novel N-acyl-4-chloro-5-methyl-2-(R1-methylthio)benzenesulfonamides 18–47 have been synthesized by the reaction of N-[4-chloro-5-methyl-2-(R1-methylthio) benzenesulfonyl]cyanamide potassium salts with appropriate carboxylic acids. Some of them showed anticancer activity toward the human cancer cell lines MCF-7, HCT-116 and HeLa, with the growth percentages (GPs) in the range from 7% to 46%. Quantitative structure-activity relationship...
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Experimental and theoretical solubility advantage screening of bi-component solid curcumin formulations
PublikacjaA comprehensive experimental and theoretical screening was performed for identification of curcumin solubilizers. Experimental data led to formulation of a non-linear QSPR model correlating molecular descriptors with measured solubilities. The majority of synthesized binary systems exhibited a moderate enhancement of curcumin solubility, which was found to be the highest in the case of curcumin cocrystallized with pyrogallol. New...
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New 2-[(4-Amino-6-N-substituted-1,3,5-triazin-2-yl)methylthio]-N-(imidazolidin-2-ylidene)-4-chloro-5-methylbenzenesulfonamide Derivatives, Design, Synthesis and Anticancer Evaluation
PublikacjaIn the search for new compounds with antitumor activity, new potential anticancer agents were designed as molecular hybrids containing the structures of a triazine ring and a sulfonamide fragment. Applying the synthesis in solution, a base of new sulfonamide derivatives 20–162 was obtained by the reaction of the corresponding esters 11–19 with appropriate biguanide hydrochlorides. The structures of the compounds were confirmed...
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublikacjaThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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Analysis of the Factors Affecting Static In Vitro Pepsinolysis of Food Proteins
PublikacjaIn this meta-analysis, we collected 58 publications spanning the last seven decades that reported static in vitro protein gastric digestion results. A number of descriptors of the pepsinolysis process were extracted, including protein type; pepsin activity and concentration; protein concentration; pH; additives; protein form (e.g., ‘native’, ‘emulsion’, ‘gel’, etc.); molecular weight of the protein; treatment; temperature; and...
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Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
PublikacjaThe solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublikacjaThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublikacjaA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
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QSAR, QSPR and QSRR in Terms of 3-D-MoRSE Descriptors for In Silico Screening of Clofibric Acid Analogues
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublikacjaSolubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived...
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Selection of Visual Descriptors for the Purpose of Multi-camera Object Re-identification
PublikacjaA comparative analysis of various visual descriptors is presented in this chapter. The descriptors utilize many aspects of image data: colour, texture, gradient, and statistical moments. The descriptor list is supplemented with local features calculated in close vicinity of key points found automatically in the image. The goal of the analysis is to find descriptors that are best suited for particular task, i.e. re-identification...
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Ranking Speech Features for Their Usage in Singing Emotion Classification
PublikacjaThis paper aims to retrieve speech descriptors that may be useful for the classification of emotions in singing. For this purpose, Mel Frequency Cepstral Coefficients (MFCC) and selected Low-Level MPEG 7 descriptors were calculated based on the RAVDESS dataset. The database contains recordings of emotional speech and singing of professional actors presenting six different emotions. Employing the algorithm of Feature Selection based...
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Thermal Imaging in Wound Healing Diagnostics
PublikacjaResults of a project searching for objective, quantitative evaluation of postoperative wound healing in cardiosurgery are presented. We propose simple thermal models of the healing processes after cardiosurgery interventions as objective descriptors allowing classification of patients for extraction and following recovery at home or for prolonged treatment in a hospital. Classification of healing as the normal process or as a process...
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Parametrization and Correlation Analysis Applied to Music Mood Classification .
PublikacjaThe paper presents a study on music mood categorization. First, a review of music mood models is presented. Then, the preparation of a set of music excerpts to be used in the experiments and music parametrization is described. Next, some listening tasks performed to obtain mood descriptors are introduced. Finally,the correlation between mood descriptors and features extracted from parameters is discussed. The paper concludes with...
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The dynamic signature verification using population-based vertical partitioning
PublikacjaThe dynamic signature is an attribute used in behavioral biometrics for verifying the identity of an individual. This attribute, apart from the shape of the signature, also contains information about the dynamics of the signing process described by the signals which tend to change over time. It is possible to process those signals in order to obtain descriptors of the signature characteristic of an individual user. One of the methods...
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Multibeam sonar data processing for seafloor characterisation
PublikacjaThe approach to seafloor characterisation was investigated. It relies on calculation of several descriptors (parameters) related to seabed type using three types of multibeam sonar data obtained during seafloor sensing: 1) the grey-level sonar images of seabed, 2) the 3D model of the seabed surface which consist of (x, y, z) points, 3) the set of time domain echo envelopes corresponding to several beams. The proposed method has...
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Combined method of multibeam sonar signal processing and image analysis for seafloor classification
PublikacjaThe combined approach to seafloor characterisation was investigated. It relies on calculation of several descriptors (parameters) related to seabed type using three types of multibeam sonar data obtained during seafloor sensing: 1) the grey-level sonar images (echograms) of seabed, 2) the 3D model of the seabed surface which consists of bathymetric data, 3) the set of time domain bottom echo envelopes received in the consecutive...
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublikacjaCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Examining Feature Vector for Phoneme Recognition / Analiza parametrów w kontekście automatycznej klasyfikacji fonemów
PublikacjaThe aim of this paper is to analyze usability of descriptors coming from music information retrieval to the phoneme analysis. The case study presented consists in several steps. First, a short overview of parameters utilized in speech analysis is given. Then, a set of time and frequency domain-based parameters is selected and discussed in the context of stop consonant acoustical characteristics. A toolbox created for this purpose...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublikacjaThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Examining Feature Vector for Phoneme Recognition
PublikacjaThe aim of this paper is to analyze usability of descriptors coming from music information retrieval to the phoneme analysis. The case study presented consists in several steps. First, a short overview of parameters utilized in speech analysis is given. Then, a set of time and frequency domain-based parameters is selected and discussed in the context of stop consonant acoustical characteristics. A toolbox created for this purpose...
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Visual Features for Improving Endoscopic Bleeding Detection Using Convolutional Neural Networks
PublikacjaThe presented paper investigates the problem of endoscopic bleeding detection in endoscopic videos in the form of a binary image classification task. A set of definitions of high-level visual features of endoscopic bleeding is introduced, which incorporates domain knowledge from the field. The high-level features are coupled with respective feature descriptors, enabling automatic capture of the features using image processing methods....
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Utilization of fuzzy rules in computer character animation
PublikacjaThe chapter presents a method for automatic enhancement of computer character animation utilizing fuzzy inference. First the user designs a prototype version of animation, with keyframes only for important poses, roughly describing the action. Then animation is enriched with new motion phases calculated by the fuzzy inference system using descriptors given by the user. Various degrees of motion fluency and naturalness are possible...
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Rough Sets Applied to Mood of Music Recognition
PublikacjaWith the growth of accessible digital music libraries over the past decade, there is a need for research into automated systems for searching, organizing and recommending music. Mood of music is considered as one of the most intuitive criteria for listeners, thus this work is focused on the emotional content of music and its automatic recognition. The research study presented in this work contains an attempt to music emotion recognition...
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Investigating Noise Interference on Speech Towards Applying the Lombard Effect Automatically
PublikacjaThe aim of this study is two-fold. First, we perform a series of experiments to examine the interference of different noises on speech processing. For that purpose, we concentrate on the Lombard effect, an involuntary tendency to raise speech level in the presence of background noise. Then, we apply this knowledge to detecting speech with the Lombard effect. This is for preparing a dataset for training a machine learning-based...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublikacjaEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...
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Resolving conflicts in object tracking for automatic detection of events in video
PublikacjaAn algorithm for resolving conflicts in tracking of moving objects is presented. The proposed approach utilizes predicted states calculated by Kalman filters for estimation of trackers position, then it uses color and texture descriptors in order to match moving objects with trackers. Problematic situations, such as splitting objects, are addressed. Test results are presented and discussed. The algorithm may be used in the system...
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Persistent homology as a new method of the assessment of heart rate variability
PublikacjaHeart rate variability (hrv) is a physiological phenomenon of the variation in the length of the time interval between consecutive heartbeats. In many cases it could be an indicator of the development of pathological states. The classical approach to the analysis of hrv includes time domain methods and frequency domain methods. However, attempts are still being made to define new and more effective hrv assessment tools. Persistent...
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Music Recommendation System
PublikacjaThe paper focuses on optimization vector content feature for the music recommendation system. For the purpose of experiments a database is created consisting of excerpts of music les. They are assigned to 22 classes corresponding to dierent music genres. Various feature vectors based on low-level signal descriptors are tested and then optimized using correlation analysis and Principal Component Analysis (PCA). Results of the experiments...
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Similarity Measures for Face Images: An Experimental Study
PublikacjaThis work describes experiments aimed at finding a straightforward but effective way of comparing face images.We discuss properties of the basic concepts, such as the Euclidean, cosine and correlation metrics, test the simplest version of elastic templates, and compare these solutions with distances based on texture descriptors (Local Ternary Patterns). The influence of selected image processing methods (e.g. bilateral ltering)...
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Active dynamic thermography method for TRAM flap blood perfusion mapping in breast reconstruction
PublikacjaThis paper presents the new method of the transverse rectus abdominis musculocutaneous flap blood perfusion mapping based on the active dynamic thermography. The method is aimed at aiding a surgeon during breast reconstruction procedure. A pair of dTnorm and t90_10 parameters were used as parametric image descriptors of the flap blood perfusion. The method was tested on 38 patients that were subjected to breast reconstruction procedure....
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Signature Partitioning Using Selected Population-Based Algorithms
PublikacjaDynamic signature is a biometric attribute which is commonly used for identity verification. Artificial intelligence methods, especially population-based algorithms (PBAs), can be very useful in the dynamic signature verification process. They are able to, among others, support selection of the most characteristic descriptors of the signature or perform signature partitioning. In this paper, we focus on creating the most characteristic...
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Local Texture Pattern Selection for Efficient Face Recognition and Tracking
PublikacjaThis paper describes the research aimed at finding the optimal configuration of the face recognition algorithm based on local texture descriptors (binary and ternary patterns). Since the identification module was supposed to be a part of the face tracking system developed for interactive wearable computer, proper feature selection, allowing for real-time operation, became particularly important. Our experiments showed that it is...
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Vehicle classification based on soft computing algorithms
PublikacjaExperiments and results regarding vehicle type classification are presented. Three classes of vehicles are recognized: sedans, vans and trucks. The system uses a non-calibrated traffic camera, therefore no direct vehicle dimensions are used. Various vehicle descriptors are tested, including those based on vehicle mask only and those based on vehicle images. The latter ones employ Speeded Up Robust Features (SURF) and gradient images...
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Relevance of Urban Freight Transport Modelling Towards the Challenges of Urban Freight Policy
PublikacjaThe main objective of this paper is to investigate how recent trends in urban freight transport analysis and modelling are related to urban freight measures set out in Gdynia’s 2016 Sustainable Urban Mobility Plan. Building on the literature a review framework was defined including 1) stakeholders, 2) descriptors, 3) objectives and 4) solution approach applied in freight modelling efforts. It was clear that the implementation...
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Comparison of sound of organ pipes in contemporary and historical instruments
PublikacjaThe aim of this research is to examine the differences in the timbre of organ pipes’ sound between a historical and a contemporary organ instrument. The historical instrument is the Oliwa organ from Gdansk, Poland, and the contemporary one is from Kartuzy, Poland. Recordings are made of single notes played by an open labial pipe that belongs to the Principal rank. The analyses and comparison of several sound features compatible...
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Resolving Conflicts in Object Tracking in Video Stream Employing Key Point Matching
PublikacjaA novel approach to resolving ambiguous situations in object tracking in video streams is presented. The proposed method combines standard tracking technique employing Kalman filters with global feature matching method. Object detection is performed using a background subtraction algorithm, then Kalman filters are used for object tracking. At the same time, SURF key points are detected only in image sections identified as moving...
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Comparison of Lithuanian and Polish Consonant Phonemes Based on Acoustic Analysis – Preliminary Results
PublikacjaThe goal of this research is to find a set of acoustic parameters that are related to differences between Polish and Lithuanian language consonants. In order to identify these differences, an acoustic analysis is performed, and the phoneme sounds are described as the vectors of acoustic parameters. Parameters known from the speech domain as well as those from the music information retrieval area are employed. These parameters are...
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Classification of Music Genres Based on Music Separation into Harmonic and Drum Components . Klasyfikacja gatunków muzycznych wykorzystująca separację instrumentów muzycznych
PublikacjaThis article presents a study on music genre classification based on music separation into harmonic and drum components. For this purpose, audio signal separation is executed to extend the overall vector of parameters by new descriptors extracted from harmonic and/or drum music content. The study is performed using the ISMIS database of music files represented by vectors of parameters containing music features. The Support Vector...
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Texture Features for the Detection of Playback Attacks: Towards a Robust Solution
PublikacjaThis paper describes the new version of a method that is capable of protecting automatic speaker verification (ASV) systems from playback attacks. The presented approach uses computer vision techniques, such as the texture feature extraction based on Local Ternary Patterns (LTP), to identify spoofed recordings. Our goal is to make the algorithm independent from the contents of the training set as much as possible; we look for the...
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The impact of lipophilicity on environmental processes, drug delivery and bioavailability of food components
PublikacjaLipophilic properties of the compound allow to predict its fate in living organisms and to propose the models of chemicals transport and accumulation in the ecosystem. Lipophilicity is also useful as the characteristic of chemicals in respect to their optimal attributes for specific biological and non-biological tasks. The lipophilicity descriptors define the potency of endo- and xenobiotics to metabolic transformations and their...
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New method for personalization of avatar animation
PublikacjaThe paper presents a method for creating a personalized animation of avatar utilizing fuzzy inference. First the user designs a prototype version of animation, with keyframes only for important poses, roughly describing the action. Then animation is enriched with new motion phases calculated by the fuzzy inference system using descriptors given by the user. Various degrees of motion fluency and naturalness are possible to achieve....
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Comparison of the exponential thermal transient parameterization methods with the SMTP method in the unipedicled DIEP flap computer modelling and simulation
PublikacjaThe aim of this paper is to compare the spatial contrast of the image descriptors obtained via three different thermal transient parameterization methods in Active Dynamic Thermography. The thermal constants and amplitude values of the one- and two- exponential parametrization are compared to the Simplified Magnitude-Temporal Parametrization method (SMTP). The comparison is performed using the data obtained by simulating the cold...
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Comparative Study of Self-Organizing Maps vs. Subjective Evaluation of Quality of Allophone Pronunciation for Nonnative English Speakers
PublikacjaThe purpose of this study was to apply Self-Organizing Maps to differentiate between the correct and the incorrect allophone pronunciations and to compare the results with subjective evaluation. Recordings of a list of target words, containing selected allophones of English plosive consonants, the velar nasal and the lateral consonant, were made twice. First, the target words were read from the list by 9 non-native speakers and...
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Random field modelling of mechanical behaviour of corroded thin steel plate specimens
PublikacjaThe objective of this work is to explore the possibility of corrosion degradation modelling of thin steel plate specimens with the use of random field approach. The mechanical properties are obtained via the nonlinear Finite Element Analysis with the use of an explicit dynamic solver. The fully nonlinear material model is adopted to obtain the proper stress-strain response. Sensitivity analysis considering the main statistical...
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Biometric identity verification
PublikacjaThis chapter discusses methods which are capable of protecting automatic speaker verification systems (ASV) from playback attacks. Additionally, it presents a new approach, which uses computer vision techniques, such as the texture feature extraction based on Local Ternary Patterns (LTP), to identify spoofed recordings. We show that in this case training the system with large amounts of spectrogram patches may be difficult, and...
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Seafloor characterisation using multibeam data: sonar image properties, seabed surface properties and echo properties
PublikacjaIn the paper, the approach to seafloor characterisation is presented. The multibeam sonars, besides their well verified and widely used applications like high resolution bathymetry and underwater object detection and imaging, are also the promising tool in seafloor characterization and classification, having several advantages over conventional single beam echosounders. The proposed approach relies on the combined, concurrent use...
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Resolving conflicts in object tracking for automatic detection of events in video
PublikacjaW referacie przedstawiono algorytm rozwiązywania konfliktów w śledzeniu obiektów ruchomych. Proponowana metoda wykorzystuje predykcję stanu obiektu obliczaną przez filtry Kalmana oraz dopasowuje wykryte obiekty do struktur śledzących ich ruch na podstawie deskryptorów koloru i tekstury. Omówiono specyficzne sytuacje powodujące konflikty, takie jak rozdzielanie obiektów. Przedstawiono wyniki testów. Algorytm może być zastosowany...
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Controlling computer by lip gestures employing neural network
PublikacjaResults of experiments regarding lip gesture recognition with an artificial neural network are discussed. The neural network module forms the core element of a multimodal human-computer interface called LipMouse. This solution allows a user to work on a computer using lip movements and gestures. A user face is detected in a video stream from a standard web camera using a cascade of boosted classifiers working with Haar-like features....
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System for characterisation and multidimensional imaging of seafloor using multibeam sonar data
PublikacjaMultibeam sonars are widely used in applications like high resolution bathymetry measurements, underwater object detection and imaging, etc. Also, they are the promising tool in seafloor characterisation and classification, having several advantages over conventional single beam echosounders. The proposed approach to seafloor classification relies on the combined use of three different techniques. In each of them, a set of descriptors...
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A new diagnostic method for evaluation of cardiosurgery wound healing
PublikacjaOne of important and still unsolved problems in medicine is the question of objective and quantitative evaluation of post-surgery wound healing. The aim of this research is to analyse possibility and value of using the newly elaborated infrared imaging procedure – Active Dynamic Thermography (ADT) – for quantitative description of wound healing processes in cardiosurgery. Both, classical thermal figures of merit as well as ADT...
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Histogram of Gradients with Cell Average Intensity for Human Detection
PublikacjaThe modification of the descriptor in human detector using Histogram of Oriented Gradients and support vector machine is presented. The proposed modification requires inserting the average cell intensitiesresulting with the increase of the length of the descriptor from 3780 to 4200 values, but it is easy to compute and instantly gives 14-26% of miss rate improvement at 10^-4 False Positives Per Window (FPPW). The modification...
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On Algorithm Details in Multibeam Seafloor Classification
PublikacjaRemote sensing of the seafloor constitutes an important topic in exploration, management, protection and other investigations of the marine environment. In the paper, a combined approach to seafloor characterisation is presented. It relies on calculation of several descriptors related to seabed type using three different types of multibeam sonar data obtained during seafloor sensing, viz.: 1) the grey-level sonar images (echograms)...
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Using Principal Component Analysis and Canonical Discriminant Analysis for multibeam seafloor characterisation data
PublikacjaThe paper presents the seafloor characterisation based on multibeam sonar data. It relies on using the integrated model and description of three types of multibeam data obtained during seafloor sensing: 1) the grey-level sonar images (echograms) of seabed, 2) the 3D model of the seabed surface which consists of bathymetric data, 3) the set of time domain bottom echo envelopes received in the consecutive sonar beams. The classification...
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Aiming at methods’ wider adoption: Applicability determinants and metrics
PublikacjaNumerous computer science methods and techniques have been proposed by the scientific community. However, depending on the domain, only their minor fraction has met wider adoption. This paper brings attention to the concept of applicability - the notion that is well acknowledged in the scientific field but have not been analysed with respect to determinants, metrics and systematisation. The primary objective of the study was to...
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seafloor characterisation combined approach using multibeam sonar echo signal processing and image analysis
PublikacjaThe authors propose the approach to seafloor characterisation which relies on the combined, concurrent use of two different techniques: (i) multibeam sonar image analysis and (ii) multibeam seabed echoes processing. The first technique is based on constructing the grey-level sonar images of the seabed extracted from the echoes received in the consecutive soundings. Then, the set of parameters describing the local region of sonar...
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Multibeam Sonar Characterisation of Seafloor in the Context of Visualisation and Dissemination of Marine Data
PublikacjaThe paper presents the seafloor characterisation method based on multibeam sonar data. it relies on using three types of multibeam seafloor sensing data: 1) the grey-level sonar images (echograms) of seabed, 2) the 3D model of the seabed surface which consists of high resolution bathymetric data, 3) the set of time domain bottom echo envelopes received in the consecutive sonar beams. The classification is performed by utilisation...
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Seafloor Characterisation Using Underwater Acoustic Devices
PublikacjaThe problem of seafloor characterisation is important in the context of management as well as investigation and protection of the marine environment. In the first part of the paper, a review of underwater acoustic technology and methodology used in seafloor characterisation is presented. It consists of the techniques based on the use of singlebeam echosounders and seismic sources, along with those developed for the use of sidescan...
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Histogram of Oriented Gradients with Cell Average Brightness for Human Detection
PublikacjaA modification of the descriptor in a human detector using Histogram of Oriented Gradients (HOG) and Support Vector Machine (SVM) is presented. The proposed modification requires inserting the values of average cell brightness resulting in the increase of the descriptor length from 3780 to 3908 values, but it is easy to compute and instantly gives ≈ 25% improvement of the miss rate at 10‒4 False Positives Per Window (FPPW). The...
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Using angular dependence of multibeam echo features in seabed classification
PublikacjaThe new approach to seabed classification based on processing multibeam sonar echoes is presented. The multibeam sonars, besides their well verified and widely used applications like high resolution bathymetry measurements or underwater object imaging, are also the promising tool in seafloor identification and classification, having several advantages over conventional single beam echosounders. The proposed seabed classification...
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Road texture influence on tyre rolling resistance
PublikacjaTyre performance, one of the critical factors for vehicle users, is strongly related to theroad surface characteristics, most notably to the pavement texture. Phenomena that occur at the tyre/road interface affect tyre friction (skid resistance), rolling resistance, tyre wear and tyre/road noise. This article deals with relationship between surface texture and rolling resistance of light and heavy vehicle tyres. Mean profile depth...
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Speech Analytics Based on Machine Learning
PublikacjaIn this chapter, the process of speech data preparation for machine learning is discussed in detail. Examples of speech analytics methods applied to phonemes and allophones are shown. Further, an approach to automatic phoneme recognition involving optimized parametrization and a classifier belonging to machine learning algorithms is discussed. Feature vectors are built on the basis of descriptors coming from the music information...
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Automatic singing quality recognition employing artificial neural networks
PublikacjaCelem artykułu jest udowodnienie możliwości automatycznej oceny jakości technicznej głosów śpiewaczych. Pokrótce zaprezentowano w nim stworzoną bazę danych głosów śpiewaczych oraz zaimplementowane parametry. Przy pomocy sztucznych sieci neuronowych zaprojektowano system decyzyjny, który oceniono w pięciostopniowej skali jakość techniczną głosu. Przy pomocy metod statystycznych udowodniono, że wyniki generowane przez ten system...
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Adaptive system for recognition of sounds indicating threats to security of people and property employing parallel processing of audio data streams
PublikacjaA system for recognition of threatening acoustic events employing parallel processing on a supercomputing cluster is featured. The methods for detection, parameterization and classication of acoustic events are introduced. The recognition engine is based onthreshold-based detection with adaptive threshold and Support Vector Machine classifcation. Spectral, temporal and mel-frequency descriptors are used as signal features. The...
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Study of pH and temperature effect on lipophilicity of catechol-containing antioxidants by reversed phase liquid chromatography
PublikacjaLipophilicity of selected antioxidant phytochemicals, including flavonoids, phenolic acids and xanthonoids, was determined by reversed phase high performance liquid chromatography with UV detection (RP-HPLC-UV). The analyses run at different temperature and pH conditions in isocratic mode suggested that lipophilicity as distribution coefficient (logD) between aqueous and organic phase decreases with increasing temperature. For...
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublikacjaGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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Seafloor Characterisation and Imaging Using Multibeam Sonar Data
PublikacjaThe approach to seafloor characterisation and imaging is presented. It relies on the combined, concurrent use of several techniques of multibeam sonar data processing. The first one is based on constructing the grey-level sonar images of seabed using the backscattering strength calculated for the echoes received in the consecutive beams. Then, the set of parameters describing the local region of sonar image is calculated. The second...
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MACHINE LEARNING–BASED ANALYSIS OF ENGLISH LATERAL ALLOPHONES
PublikacjaAutomatic classification methods, such as artificial neural networks (ANNs), the k-nearest neighbor (kNN) and selforganizing maps (SOMs), are applied to allophone analysis based on recorded speech. A list of 650 words was created for that purpose, containing positionally and/or contextually conditioned allophones. For each word, a group of 16 native and non-native speakers were audio-video recorded, from which seven native speakers’...
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Intracranial hemorrhage detection in 3D computed tomography images using a bi-directional long short-term memory network-based modified genetic algorithm
PublikacjaIntroduction: Intracranial hemorrhage detection in 3D Computed Tomography (CT) brain images has gained more attention in the research community. The major issue to deal with the 3D CT brain images is scarce and hard to obtain the labelled data with better recognition results. Methods: To overcome the aforementioned problem, a new model has been implemented in this research manuscript. After acquiring the images from the Radiological...
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Tool Wear Monitoring Using Improved Dragonfly Optimization Algorithm and Deep Belief Network
PublikacjaIn recent decades, tool wear monitoring has played a crucial role in the improvement of industrial production quality and efficiency. In the machining process, it is important to predict both tool cost and life, and to reduce the equipment downtime. The conventional methods need enormous quantities of human resources and expert skills to achieve precise tool wear information. To automatically identify the tool wear types, deep...
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Improving automatic surveillance by sound analysis
PublikacjaAn automatic surveillance system, based on event detection in the video image can be improved by implementing algorithms for audio analysis. Dangerous or illegal actions are often connected with distinctive sound events like screams or sudden bursts of energy. A method for detection and classification of alarming sound events is presented. Detection is based on the observation of sudden changes in sound level in distinctive sub-bands...
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A New Method for Automatic Generation of Animated Motion
PublikacjaA new method for generation of animation with a quality comparable to a natural motion is presented. Proposed algorithm is based on fuzzy description of motion parameters and subjective features. It is assumed that such processing increases naturalness and quality of motion, which is verified by subjective evaluation tests. First, reference motion data are gathered utilizing a motion capture system, then these data are reduced...
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The influence of the UV irradiation on degradation of virgin rapeseed oils
PublikacjaThis paper presents research which is a continuation of the investigations described earlier. The aim of these studies was to determine the influence of UV irradiation on flavor and the oxidative stability of different rapeseed oils varieties. For the purpose of this study, oil samples underwent accelerated deterioration for 4.5 h under a UV light test. In the obtained sample, characteristic values (peroxide (PV, 1.23–1.62 meq...
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Evaluation of Sicilian landraces of broccoli (B. oleracea var. italica Plenck) for quality traits
PublikacjaBrassica oleracea L. var. italica Plenck is one of the most popular vegetables which belong to Brassicaceae family. It is getting attention as an important source of bioactive compounds such as glucosinolates, and many other phytochemicals. In the frame of the H2020 BRESOV project, we evaluated three landraces (‘Broccolo nero', ‘Ramoso calabrese' and ‘Sparaceddu') and two commercial F1 hybrid cultivars (‘Marathon' and ‘Naxos')....
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Chemical characterization of wild populations of Brassica oleracea complex species (n=9) for the content of their bioactive compounds
PublikacjaThe wild species belonging to Brassica oleracea complex species (n=9) are widespread in the Mediterranean basin and represent the relative species of several vegetable crops, such as broccoli, cauliflower, kale, cabbage. They are characterized by the high level of bioactive compounds, such as glucosinolates (GLSs), known for their benefits for human health. Four accessions were evaluated: B. macrocarpa (BM) from Favignana (Trapani),...
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Verification of the Parameterization Methods in the Context of Automatic Recognition of Sounds Related to Danger
PublikacjaW artykule opisano aplikację, która automatycznie wykrywa zdarzenia dźwiękowe takie jak: rozbita szyba, wystrzał, wybuch i krzyk. Opisany system składa się z bloku parametryzacji i klasyfikatora. W artykule dokonano porównania parametrów dedykowanych dla tego zastosowania oraz standardowych deskryptorów MPEG-7. Porównano też dwa klasyfikatory: Jeden oparty o Percetron (sieci neuronowe) i drugi oparty o Maszynę wektorów wspierających....
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Experimental validation of the rolling resistance measurement method including updated draft standard
PublikacjaThe main objective of ROSANNE is the harmonisation and standardisation of the measurement of skid resistance, noise emission and rolling resistance of road pavements. Regarding rolling resistance characterisation, a draft for standardization of a harmonized procedure for classification of road surfaces across Europe has been prepared within WP3 (deliverable 3.5). The procedure deals with the direct measurement on real roads of...
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Lighting conditions in home office and occupant’s perception: Exploring drivers of satisfaction
PublikacjaThis paper depicts lighting home office conditions within different countries and continents, emphasizing the user’s satisfaction with the visual environment. The scope of this article is to investigate the drivers of participants’ satisfaction with the lighting conditions at the home office. The study was developed by a team of international experts working together on Subtask A: User perspective and requirements, Task 61 IEA...