Filtry
wszystkich: 43
Wyniki wyszukiwania dla: IN SILICO SITE OF METABOLISM PREDICTION
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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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Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies
PublikacjaA series of novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(6-substituted-4-chloro-1,3,5-triazin-2-ylamino)guanidine derivatives 9–20 have been synthesized by substitution of chlorine atom at the 1,3,5-triazine ring in compounds 5–8 with 3- or 4-aminobenzenesulfonamide and 4-(aminomethyl)benzenesulfonamide hydrochloride. All the synthesized compounds were evaluated for their inhibitory activity toward hCA I, II,...
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Docking simulations, Molecular properties and ADMET studies of novel Chromane6,7diol analogues as potential inhibitors of Mushroom tyrosinase
PublikacjaResearch on inhibition of tyrosinase enzyme has attained significant value, because tyrosinase inhibitors have potential applications in medicine, cosmetics (as whitening agents) and in agriculture (as bioinsecticides). Determination and elucidation of new tyrosinase inhibitors are not only beneficial for medical purposes, but their promising applications in improving food quality and nutritional...
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Forewarned Is Forearmed: Machine Learning Algorithms for the Prediction of Catheter-Induced Coronary and Aortic Injuries
PublikacjaCatheter-induced dissections (CID) of coronary arteries and/or the aorta are among the most dangerous complications of percutaneous coronary procedures, yet the data on their risk factors are anecdotal. Logistic regression and five more advanced machine learning techniques were applied to determine the most significant predictors of dissection. Model performance comparison and feature importance ranking were evaluated. We identified...
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Numerical analysis of pile installation effects in cohesive soils
PublikacjaIn this thesis the empirical equation for radial effective stress calculation after displacement pile installation and following consolidation phase has been proposed. The equation is based on the numerical studies performed with Updated Lagrangian, Arbitrary Lagrangian-Eulerian and Coupled Eulerian-Lagrangian formulations as well as the calibration procedure with database containing world-wide 30 pile static loading tests in cohesive...
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Evaluation of Linkers’ Influence on Peptide-Based Piezoelectric Biosensors’ Sensitivity to Aldehydes in the Gas Phase
PublikacjaRecent findings qualified aldehydes as potential biomarkers for disease diagnosis. One of the possibilities is to use electrochemical biosensors in point-of-care (PoC), but these need further development to overcome some limitations. Currently, the primary goal is to enhance their metrological parameters in terms of sensitivity and selectivity. Previous findings indicate that peptide OBPP4 (KLLFDSLTDLKKKMSEC-NH2) is a promising...
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AVHRR Level1CD covering Baltic Sea area year 2001
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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Characterization of a single-stranded DNA-binding-like Protein from Nanoarchaeum equitans - a nucleic acid binding protein with broad substrate specificity
PublikacjaBackground SSB (single-stranded DNA-binding) proteins play an essential role in all living cells and viruses, as they are involved in processes connected with ssDNA metabolism. There has recently been an increasing interest in SSBs, since they can be applied in molecular biology techniques and analytical methods. Nanoarchaeum equitans, the only known representative of Archaea phylum Nanoarchaeota, is a hyperthermophilic, nanosized,...
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AVHRR Level1CD covering Baltic Sea area year 2005
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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AVHRR Level1CD covering Baltic Sea area year 2004
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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AVHRR Level1CD covering Baltic Sea area year 2003
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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AVHRR Level1CD covering Baltic Sea area year 2002
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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AVHRR Level1CD covering Baltic Sea area year 2006
Dane BadawczeThe product level is the NOAA AVHRR Level 1C that is result of processing the AVHRR data from the HRPT stream based on ancillary information like sensing geometry and calibration data. Then converted into geophysical variables: top-of-the atmosphere (TOA) albedo or brightness temperature. Additionally, information like geolocation has been added. Other...
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AVHRR Level1CD covering Baltic Sea area year 2010
Dane BadawczeThe product level is the NOAA AVHRR Level 1C that is result of processing the AVHRR data from the HRPT stream based on ancillary information like sensing geometry and calibration data. Then converted into geophysical variables: top-of-the atmosphere (TOA) albedo or brightness temperature. Additionally, information like geolocation has been added. Other...
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AVHRR Level1CD covering Baltic Sea area year 2007
Dane BadawczeThe product level is the NOAA AVHRR Level 1C that is result of processing the AVHRR data from the HRPT stream based on ancillary information like sensing geometry and calibration data. Then converted into geophysical variables: top-of-the atmosphere (TOA) albedo or brightness temperature. Additionally, information like geolocation has been added. Other...
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AVHRR Level1CD covering Baltic Sea area year 2011
Dane BadawczeThe product level is the NOAA AVHRR Level 1C that is result of processing the AVHRR data from the HRPT stream based on ancillary information like sensing geometry and calibration data. Then converted into geophysical variables: top-of-the atmosphere (TOA) albedo or brightness temperature. Additionally, information like geolocation has been added. Other...
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AVHRR Level1CD covering Baltic Sea area year 2012
Dane BadawczeThe product level is the NOAA AVHRR Level 1C that is result of processing the AVHRR data from the HRPT stream based on ancillary information like sensing geometry and calibration data. Then converted into geophysical variables: top-of-the atmosphere (TOA) albedo or brightness temperature. Additionally, information like geolocation has been added. Other...
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AVHRR Level1CD covering Baltic Sea area year 2008
Dane BadawczeThe product level is the NOAA AVHRR Level 1C that is result of processing the AVHRR data from the HRPT stream based on ancillary information like sensing geometry and calibration data. Then converted into geophysical variables: top-of-the atmosphere (TOA) albedo or brightness temperature. Additionally, information like geolocation has been added. Other...
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AVHRR Level1CD covering Baltic Sea area year 2009
Dane BadawczeThe product level is the NOAA AVHRR Level 1C that is result of processing the AVHRR data from the HRPT stream based on ancillary information like sensing geometry and calibration data. Then converted into geophysical variables: top-of-the atmosphere (TOA) albedo or brightness temperature. Additionally, information like geolocation has been added. Other...