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Wyniki wyszukiwania dla: DRUG DESIGN, ANTICANCER COMPOUNDS, ANTIFUNGAL COMPOUNDS, MOLECULAR TARGETS
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Evaluation of flavour profiles in e-cigarette refill solutions using gas chromatography–tandem mass spectrometry
PublikacjaMany flavour compounds that are present in e-liquids for e-cigarettes are responsible for specific tastes and smoking sensations for users. Data concerning content and specific types of flavours is often limited and unknown to users. The aim of the research was to define and compare flavour profiles of e-liquids with the same group taste from different manufacturers. Gas chromatography coupled with tandem mass spectrometry (GC–MS/MS)...
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Assessment of ecotoxicity and total volatile organic compound (TVOC) emissions from food and children's toy products
PublikacjaThe development of new methods for identifying a broad spectrum of analytes, as well as highly selective tools to provide the most accurate information regarding the processes and relationships in the world, has been an area of interest for researchers for many years. The information obtained with these tools provides valuable data to complement existing knowledge but, above all, to identify and determine previously unknown hazards. Recently,...
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Nanofiltration-Assisted Concentration Processes of Phenolic Fractions and Carotenoids from Natural Food Matrices
PublikacjaIn new food formulations, carotenoids and phenolic compounds are likely to be the most sought after food ingredients according to their bioactivity, nutraceutical, nutritional value, and compatibility properties once incorporated into food formulations. Such solutes are naturally present in many plant-based sources, and some portions are directly consumed when enriching food products and formulations; however, some portions, which...
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Impact of selected drugs and their binary mixtures on the germination of Sorghum bicolor (sorgo) seeds
PublikacjaThe aim of this study was to assess the toxicological potential of binary drug mixtures and individual drugs under different pH conditions with different inorganic ion additions on the germination of Sorghum bicolor (sorgo) seeds. To assess whether the given drug mixtures were more phytotoxic than the individual compounds, concentration addition (CA) and independent action (IA) approaches were applied to estimate the predicted...
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Integration of protein tethering in a rapid and label-free SERS screening platform for drugs of abuse
PublikacjaSurface enhanced Raman spectroscopy (SERS) has emerged as a promising technique for the rapid and ultrasensitive detection of molecular species such as drugs of abuse in biofluids. Yet, it remains a significant challenge to create a viable screening tool for multiple drug classes, owing to the lack of affinity of certain species for the SERS substrate and to the matrix interference in complex media. Here we report a protein tethering...
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In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2
PublikacjaThe recent global pandemic caused by COVID-19 has triggered an intense effort worldwide towards the development of an effective cure for this disease. In our effort we have explored the 2-alkynyl substituted 3-chloropyrazine framework as a potential template for the design of molecules for this purpose. Our strategy was supported by the in silico studies of representative compounds to assess their binding affinities via docking...
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Chemical composition, antioxidant and anticancer effects of the seeds and leaves and indigo (polygonum tinctorium Ait.) Plant
PublikacjaSeeds and leaves of indigo (Polygonum tinctorium Ait.) plant were investigated and compared with another medicinal plant named prolipid for their properties such as chemical composition, antioxidant, and anticancer effects by Fourier transform infrared, three-dimensional fluorescence spectroscopy, and electrospray ionization-MS in negative mode. It was found that polyphenols, flavonoids, and flavanols were significantly higher...
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Contamination of Arctic Lakes with Persistent Toxic PAH Substances in the NW Part of Wedel Jarlsberg Land (Bellsund, Svalbard)
PublikacjaThe expansion of glacier‐free areas in polar regions favours the appearance of lakes in the non‐glaciated parts of glacier basins. This paper presents the differentiation of organic compound concentrations in fifty‐four Arctic lakes collected in four locations (Logne Valley, in the vicinity of the Scott, Renard and Antonia glaciers). We cover meteorological measurements, chemical analysis of sixteen dioxin‐like compounds (Polycyclic...
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Voriconazole-Based Salts Are Active against Multidrug-Resistant Human Pathogenic Yeasts
PublikacjaVoriconazole (VOR) hydrochloride is unequivocally converted into VOR lactates and valinates upon reaction with silver salts of organic acids. This study found that the anticandidal in vitro activity of these compounds was comparable or slightly better than that of VOR. The Candida albicans clinical isolate overexpressing CaCDR1/CaCDR2 genes, highly resistant to VOR, was apparently more susceptible to VOR salts. On the other hand,...
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Determination of Toxicological Parameters of Selected Bioactive Organic Chemicals Using the Ostracodtoxkit FTM
PublikacjaAssessment of the impact of pharmaceutical residues on living organisms is very complex subject. Apart from taking into account the toxicity of individual compounds also their presence in mixtures should be taken into account. In this work, attempts were made to assess the ecotoxicity of biologically active substances (with 50 % effective concentration (EC50) values growing from fluoxetine (EC50 = 4.431 nM) >> gemfibrozil ≈ 17α-ethinylestradiol...
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Application of bioassays in studies on the impact of pharmaceuticals on the environment
PublikacjaDrug interactions are often desirable particularly in medicine, when treatment of a patient requires using a mixture of drugs in specific doses to produce the adequate therapeutic effect. Unfortunately, interactions between drugs in the environment are not as desirable, despite the fact that drugs are present in the environment at low concentration levels [1]. Pharmaceuticals are present in the environment in a mixture of compounds,...
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The time-dependent cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to cancer Du-145 cells
Dane BadawczeThe time-dependent (1, 24, 48, and 72 h) cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to cancer Du-145 cells performed by Confocal Laser Scanning Microscopy (63× magnification; ZEISS LSM T-PMT, Magdeburg, Germany). Based on the fluorescence properties of these compounds, green and orange fluorescence...
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The time-dependent cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to normal MRC-5 cells
Dane BadawczeThe time-dependent (1, 24, 48, and 72 h) cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to normal MRC-5 cells performed by Confocal Laser Scanning Microscopy (63× magnification; ZEISS LSM T-PMT, Magdeburg, Germany). Based on the fluorescence properties of these compounds, green and orange fluorescence...
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Składowiska odpadów komunalnych jako źródła emisji zanieczyszczeń do środowiska
PublikacjaCelem pracy było przeprowadzenie badań mających na celu określenie związków uwalnianych do powietrza ze składowisk odpadów komunalnych oraz charakterystyka ich właściwości zapachowych i toksycznych. Próbki powietrza analizowano za pomocą techniki TD-GC-MS. Przeprowadzone badania pozwoliły na zidentyfikowanie następujących związków: styren, benzen, ksylen, toluen, etylobenzen, disiarczek dimetylu, dekan, kwas butanowy i octowy....
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Composition and antimicrobial activity of fatty acids detected in the hygroscopic secretion collected from the secretory setae of larvae of the biting midge Forcipomyia nigra (Diptera: Ceratopogonidae)
PublikacjaThe hygroscopic secretion produced by the secretory setae of terrestrial larvae of the biting midge Forcipomyia nigra (Winnertz) was analysed using gas chromatography coupled with mass spectrometry (GC-MS). The viscous secretion is stored at the top of each seta and absorbs water from moist air. GC-MS analyses (four independent tests) showed that the secretion contained 12 free fatty acids, the most abundant of which were oleic...
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Characterization of two aminotransferases from Candida albicans
PublikacjaAminoadipate aminotransferase (AmAA) is an enzyme of α-aminoadipate pathway (AAP) for l-lysine biosynthesis. AmAA may also participated in biosynthesis or degradation of aromatic amino acids and in d-tryptophan based pigment production. The AAP is unique for fungal microorganisms. Enzymes involved in this pathway have specific structures and properties. These features can be used as potential molecular markers. Enzymes catalyzing...
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The Influence of Antitumor Unsymmetrical Bisacridines on 3D Cancer Spheroids Growth and Viability
PublikacjaThe culture of 3D spheroids is a promising tool in drug development and testing. Recently, we synthesized a new group of compounds, unsymmetrical bisacridines (UAs), which exhibit high cytotoxicity against various human cell lines and antitumor potency against several xenografts. Here, we describe the ability of four UAs—C-2028, C-2041, C-2045, and C-2053—to influence the growth of HCT116 and H460 spheres and the viability of HCT116...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublikacjaGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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A rapid and sensitive method for the quantitative analysis of ibuprofen and its metabolites in equine urine samples by gas chromatography-tandem mass spectrometry
PublikacjaIbuprofen is widely used in human and veterinary medicine for the treatment of chronic pain as well as rheumatic and musculoskeletal disorders. However, t he anal- gesic and anti-inflammatory properties of Ibuprofen have contributed to frequent drug abuse in equestr ian s ports. A sensitive and rapid gas chromatography with tandem mass spectrometry based method with a simple liquid-liquid extraction and deriva- tization requiring...
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Process Control and Investigation of Oxidation Kinetics of Postoxidative Effluents Using Gas Chromatography with Pulsed Flame Photometric Detection (GC-PFPD)
PublikacjaThis article presents the results of investigations on the use of headspace analysis and gas chromatography with pulsed flame photometric detection (HSA-GC-PFPD) to evaluate the effectiveness of oxidation of postoxidative effluents from the production of bitumens. Samples of effluents from the bitumen oxidation unit were used in the experiments. In addition, the kinetics of effluent oxidation was also investigated. The content...
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H2AX phosphorylation, its role in DNA damage response and cancer therapy
PublikacjaDouble-strand breaks (DSBs) are the most deleterious DNA lesions, which, if left unrepaired, may have severe consequences for cell survival, as they lead to chromosome aberrations, genomic instability, or cell death. Various physical, chemical, and biological factors are involved in DSB induction. Cells respond to DNA damage by activating the so-called DNA damage response (DDR), a complex molecular mechanism developed to detect...
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Removal of selected sulfonamides and sulfonamide resistance genes from wastewater in full-scale constructed wetlands
PublikacjaSulfonamides are high-consumption antibiotics that reach the aquatic environment. The threat related to their presence in wastewater and the environment is not only associated with their antibacterial properties, but also with risk of the spread of drug resistance in bacteria. Therefore, the aim of this work was to evaluate the occurrence of eight commonly used sulfonamides, sulfonamide resistance genes (sul1–3) and integrase genes...
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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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Complementary use of GCxGC–TOF–MS and statistics for differentiation of variety in biosolid samples
PublikacjaFormation of biosolid cakes, which are one of the main wastes generated in wastewater treatment plants, is connected with emission of many hazardous chemical compounds, including odoriferous ones. To optimize particular processes of biosolid cake processing, it is necessary to assess chemical composition of the gas mixtures containing the compounds released from the cakes. The paper proposes application of two-dimensional gas chromatography...
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Botanical and geographical origin characterization of polish honeys by headspace SPME-GCxGC-TOFMS
PublikacjaVolatile organic compounds (VOCs) composition of Polish honeys obtained from various geographical regions was studied. Headspace solid phase microextraction (HS-SPME) using Divinylbenzene/Carboxen/Polydimethylsiloxane-coated fibers was used in combination with comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC× GC-TOFMS) because of the complexity of the samples. Acacia, linden, rapeseed, buckwheat...
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Comparison of Redox Properties of Flavonoid Aglycones and Corresponding Glycosides and Their Mixtures in the Cellular Model
PublikacjaFlavonoids are polyphenolic compounds commonly found in plants. As dietary components, they have been shown to exhibit numerous pro-health properties that are believed to be associated with their antioxidant effects. In this study, the antioxidant activity of four flavonoid compounds was determined by cellular antioxidant activity assay using HT29 cells as a model of the alimentary tract. The strongest impact on cellular redox...
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Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
PublikacjaCommercially available lactones, as well as those synthesized by us, turned out to be good substrates for the synthesis of sugar hydrazides. The exception was L-ascorbic acid, whose hydrazinolysis led to the formation of a hydrazinium salt, not the hydrazide as expected. The structure of all compounds was confirmed by NMR and X-ray analyses. The lower durability of hydrazinium L-ascorbate was additionally confirmed by thermogravimetric...
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Analysis of the possibilities of using of DME fuel in motor boat drive systems
PublikacjaThe characteristics of alternative fuel for diesel: dimethyl ether (DME) and an analysis of the potential to reduce emissions of toxic compounds by the engines when running on this fuel have been presented in this work. Basic types of design solutions of gas supply and control systems, possible for use in internal combustion engines with DME supply have been also presented. The paper presents a study of the legislation and an analysis...
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Novel 1,2,4-Oxadiazole Derivatives in Drug Discovery
PublikacjaAbstract: Five-membered 1,2,4-oxadiazole heterocyclic ring has received considerable attention because of its unique bioisosteric properties and an unusually wide spectrum of biological activities. Thus, it is a perfect framework for the novel drug development. After a century since the 1,2,4-oxadiazole have been discovered, the uncommon potential attracted medicinal chemists’ attention, leading to the discovery of a few presently...
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Application of the near-infrared spectroscopy in the pharmaceutical technology
PublikacjaNear-infrared (NIR) spectroscopy is currently the fastest-growing and the most versatile analytical method not only in the pharmaceutical sciences but also in the industry. This review focuses on recent NIR applications in the pharmaceutical technology. This article covers monitoring, by NIR, of many manufacturing processes, such as granulation, mixing or drying, in order to determine the end-point of these processes. In this...
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Detection of some volatile degradation products released during photoexposition of ranitidine in a solid state
PublikacjaRanitidine (RAN) is on top of the list of prescribed drugs, due to its popularity as a selective H2-receptor antagonist, which efficiently decreases the amount of acid produced in the stomach. RAN is not stable both in a solid state and in a solution, which creates manufacturing problems, requires appropriate storage conditions, and results in a short drug shelf-life. The aim of this work was to study the emission of volatile...
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Killing kinetics analysis of C-1311 derivative with octaarginine (Compound 1-R8) against Candida albicans
Dane BadawczeThe datasets contain the results of killing kinetics analysis of imidazoacridinone derivative and fluconazole against C. albicans ATCC 10231. The suspensions of Candida albicans ATCC 10231 cells (500 µL) in RPMI 1640 at cell density of 104 cells /mL were added to 500 µL of RPMI 1640 medium with various concentrations of the compounds, corresponding...
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Microscopy analysis of A549 and H460 cells' mitochondria after exposure to TXT2 and TXT4
Dane BadawczeThe data set contains live-cell imaging of A549 and H460 cells' mitochondria after exposure to TXT2 and TXT4. Cells were exposed for 6 h to the tested compounds at their IC90 concentration or to DMSO. Then, mitochondrial labelling was performed by incubating the cells with a MitoTracker Green FM probe (Thermo Fisher Scientific) and Hoechst 33342 (Thermo...
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Data regarding a new, vector-enzymatic DNA fragment amplification-expression technology for the construction of artificial, concatemeric DNA, RNA and proteins, as well as biological effects of selected polypeptides obtained using this method
PublikacjaApplications of bioactive peptides and polypeptides are emerging in areas such as drug development and drug delivery systems. These compounds are bioactive, biocompatible and represent a wide range of chemical properties, enabling further adjustments of obtained biomaterials. However, delivering large quantities of peptide derivatives is still challenging. Several methods have been developed for the production of concatemers –...
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Wojciech Chrzanowski dr hab. inż.
OsobyWojciech Chrzanowski, urodzony w 1952 r. w Toruniu, ukończył w 1975 r. studia magisterskie na kierunku Technologia Chemiczna, w specjalności Technologia Nieorganiczna (specjalizacja: ochrona przed korozją), na Wydziale Chemicznym PG, uzyskując dyplom z wyróżnieniem. W tym samym roku został zatrudniony w Zakładzie Technik Analitycznych ówczesnego Instytutu Inżynierii Chemicznej i Technik Pomiarowych, początkowo na stanowisku technicznym,...
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Mushroom Toxins
PublikacjaToxins and Other Harmful Compounds in Foods provides information on the contents, distribution, chemical properties, and biological activity of toxins and other harmful compounds in foods that are natural components of the raw materials, accumulated due to microbial actions and environmental pollution, or are generated due to processing.
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The Influence of Different Hydrothermal Processes Used in the Preparation of Brussels Sprouts on the Availability of Glucosinolates to Humans
PublikacjaCruciferous vegetables represent a valuable source of bioactive compounds. However, there is currently a deficiency of information regarding the extent to which these compounds remain bioaccessible to the body following thermal treatment and digestion processes within the digestive tract. Accordingly, the aim of this study was to evaluate the impact of heat treatment and in vitro digestion on the level of selected bioactive compounds...
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Stable nanoconjugates of transferrin with alloyed quaternary nanocrystals Ag–In–Zn–S as a biological entity for tumor recognition
PublikacjaOne way to limit the negative effects of anti-tumor drugs on healthy cells is targeted therapy employing functionalized drug carriers. Here we present a biocompatible and stable nanoconjugate of transferrin anchored to Ag-In-Zn-S quantum dots modified with 11-mercaptoundecanoic acid (Tf-QD) as a drug carrier versus typical anticancer drug, doxorubicin. Detailed investigations of Tf-QD nanoconjugates without and with doxorubicin...
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Metabolic Profiles of New Unsymmetrical Bisacridine Antitumor Agents in Electrochemical and Enzymatic Noncellular Systems and in Tumor Cells
PublikacjaNew unsymmetrical bisacridines (UAs) demonstrated high activity not only against a set of tumor cell lines but also against human tumor xenografts in nude mice. Representative UA compounds, named C-2028, C-2045 and C-2053, were characterized in respect to their physicochemical properties and the following studies aimed to elucidate the role of metabolic transformations in UAs action. We demonstrated with phase I and phase II enzymes...
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COMPUTER-AIDED DESIGN OF ORGANOPHOSPHORUS INHIBITORS OF UREASE
PublikacjaBased on the structure of the most potential inhibitor diamidophosphate, various novel groups of inhibitors were developed by knowledge-based design approach with covalent carbon-phosphorus or carbon-phosphorus-carbon bond to improve hydrolytic stability to inhibit the microbial ureases. Designed compounds were evaluated with 10 (LigScore1, LigScore2, PLP1, PLP2, JAIN, PMF, PMF04, LUDI_1, LUDI_2 and LUDI_3) different scoring functions...
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Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublikacjaThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
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Direct human contact with siloxanes (silicones): safety or risk. Part 1: characteristics of siloxanes (silicones
PublikacjaSiloxanes are commonly known as silicones. They belong to the organosiliconcompounds and are exclusively obtained by synthesis. Their chemical structuredetermines a range of physicochemical properties which were recognized as unique.Due to the susceptibility to chemical modifications, ability to create short, long orcomplex polymer particles, siloxanes found an application in many areas of human life.
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Glucosinolates from lepidium peruvianum as potential antiamnestic drugs
PublikacjaLepidium peruvianum (maca) (Brassicaceae) is a naturally occurring plant mainly in the high Andes of Peru. In recent years, it has been intensively researched in terms of its influence on various diseases and towards health improvement. Alzheimer’s disease is an incurable disease that most often affects adults over the age of 60. As since 2003 the US Food and Drug Administration (FDA) did not approve any new drug for Alzheimer’s...
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Determination of thiocyanate (biomarkers of ETS) and other inorganic ions in human nasal discharge samples using ion chromatography
PublikacjaEnvironmental tobacco smoke (ETS) is a mixture of air and tobacco smoke containing more than 4000 chemical substances. In view of the health risks of many of these substances, studies are needed to determine biomarkers of exposure to ETS constituents in people who actively or passively are exposed to the toxic compounds. The methodologies for determining most biomarkers from saliva, urine and blood samples are known, but methods...
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Gelatin-chitosan interactions in edible films and coatings doped with plant extracts for biopreservation of fresh tuna fish products: A review
PublikacjaThe preservation of tuna fish products, which are extremely perishable seafood items, is a substantial challenge due to their instantaneous spoilage caused by microbial development and oxidative degradation. The current review explores the potential of employing chitosan-gelatin-based edible films and coatings, which are enriched with plant extracts, as a sustainable method to prolong the shelf life of tuna fish products. The article...
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Sources and Fate of PAHs and PCBs in the Marine Environment
PublikacjaThe assessment of a hazard resulting from the pollution of the environment by chemical compounds is in principle limited to the determination of their concentrations in its various compartments. But for solving many problems in this context, knowledge of the emission sources, transport pathways, and sites of deposition is of great benefit. By far the largest amounts of pollutants, regardless of where they were discharged, end up...
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Environmental Fate of Two Psychiatric Drugs, Diazepam and Sertraline: Phototransformation and Investigation of their Photoproducts in Natural Waters
PublikacjaExperimental studies were conducted to investigate the photodegradation of diazepam and sertraline, two of the most frequently used psychiatric drugs, induced by xenon lamp irradiation, which overlap the sunlight spectra, and natural sunlight. Degradation kinetics was established indicating the occurrence of autocatalytic reactions. The application of liquid chromatography coupled to quadrupole time-of-flight mass spectrometry...
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A large family of filled skutterudites stabilized by electron count
PublikacjaThe Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements...
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Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublikacjaA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
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The estrogenicity of wastewater samples.
Dane BadawczeThe principle of operation of the kit is based on the fact that the tested sample with endocrine activity (containing compounds capable of binding to the human estrogen receptor α, hERα) releases the fluorescently labeled ligand (FluormoneTM ES2) from the receptor-ligand complex, which results in a reduction of the polarization value fluorescence. The...