Wyniki wyszukiwania dla: descriptors
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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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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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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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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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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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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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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...
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SYNAT Music Genre Parameters PCA 19
Dane BadawczeThe dataset contains feature vector after Principal Component Analysis (PCA) performing, so there are 11 music genres and 19-element vector derived from music excerpts. Originally, a feature vector containing 173 elements was conceived in earlier research studies carried out by the team of authors [1-6]. A collection of 52532 music excerpts described...
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SYNAT_PCA_48
Dane BadawczeThere is a series of datasets containing feature vectors derived from music tracks. The dataset contains 51582 music tracks (22 music genres) and feature vector after Principal Component Analysis (PCA) performing, so there are 48-element vectors derived from music excerpts. Originally, a feature vector containing 173 elements was conceived in earlier...
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SYNAT_PCA_11
Dane BadawczeThe dataset contains 51582 music tracks (22 music genres) and feature vector after Principal Component Analysis (PCA) performing, so there are 11-element vectors derived from music excerpts. Originally, a feature vector containing 173 elements was conceived in earlier research studies carried out by the team of authors [1-6]. A collection of more than...
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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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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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SYNAT_MUSIC_GENRE_FV_173
Dane BadawczeThis is the original dataset containing 51582 music tracks (22 music genres) and 173 element-feature vector [1-6,9]. A collection of more than 50000 music excerpts described with a set of descriptors obtained through the analysis of 30-second mp3 recordings was gathered in a database called SYNAT. The SYNAT database was realized by the Gdansk University...
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Oleg Gradov senior researcher
Osoby