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Evaluating experimental molecular physics studies of radiation damage in DNA*
PublicationThe field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental...
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: Their in silico assessment as potential ligands for N-protein of SARS-CoV-2
PublicationIn view of recent global pandemic the 3-alkynyl substituted 2-chloroquinoxaline framework has been explored as a potential template for the design of molecules targeting COVID-19. Initial in silico studies of representative compounds to assess their binding affinities via docking into the N-terminal RNA-binding domain (NTD) of N-protein of SARS-CoV-2 prompted further study of these molecules. Thus building of a small library of...
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Exploring the Antitumor Efficacy of N-Heterocyclic Nitrilotriacetate Oxidovanadium(IV) Salts on Prostate and Breast Cancer Cells
PublicationThe crystal structures of two newly synthesized nitrilotriacetate oxidovanadium(IV) salts, namely [QH][VO(nta)(H2O)](H2O)2 (I) and [(acr)H][VO(nta)(H2O)](H2O)2 (II), were determined. Additionally, the cytotoxic effects of four N-heterocyclic nitrilotriacetate oxidovanadium(IV) salts— 1,10-phenanthrolinium, [(phen)H][VO(nta)(H2O)](H2O)0.5 (III), 2,2′-bipyridinium [(bpy)H][VO(nta)(H2O)](H2O) (IV), and two newly synthesized compounds...
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New Procedures for Control of Industrial Effluents Treatment Processes
PublicationThis work presents the procedures for monitoring volatile organic compounds during treatment of industrial effluents. The investigation was carried out for a specific effluent—caustic effluent from bitumen production. The developed procedures enable more detailed control of the effectiveness of wastewater treatment than standard procedures. Caustic effluents from bitumen production have a complex physicochemical form and consist...
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Opracowanie dogodnej metody tworzenia wiązań S-C o hybrydyzacji atomu węgla sp oraz sp2
PublicationBadania przeprowadzone w Katedrze Chemii Organicznej Wydziału Chemicznego Politechniki Gdańskiej na przestrzeni ostatnich kilku lat, pokazały wszechstronność pochodnych kwasu neopentylidenofosforoditiowego. Dotychczasowe wyniki badań doprowadziły mnie do opracowania nowych strategii syntetycznych, umożliwiających otrzymywanie związków zawierających wiązanie C-S o hybrydyzacji atomu węgla sp oraz sp2. Analizując wyniki badań opracowałam...
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Rhodotorulic Acid and its Derivatives: Synthesis, Properties, and Applications
PublicationSiderophores are low molecular weight compounds produced by microorganisms to scavenge iron in iron-deficient environments. Rhodotorulic acid (RA), a natural hydroxamate siderophore, plays a vital role in iron acquisition for fungi and bacteria. As the simplest natural hydroxamate siderophore, RA exhibits a high affinity for ferric ions, enabling it to form stable complexes that facilitate iron uptake and transport within microorganisms....
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Improved cytotoxicity and preserved level of cell death induced in colon cancer cells by doxorubicin after its conjugation with iron-oxide magnetic nanoparticles
PublicationA promising strategy for overcoming the problem of limited efficacy in antitumor drug delivery and in drug release is the use of a nanoparticle-conjugated drug. Doxorubicin (Dox) anticancer chemotherapeutics has been widely studied in this respect, because of severe cardiotoxic side effects. Here, we investigated the cytotoxic effects, the uptake process, the changes in cell cycle progression and the cell death processes in the...
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Application of passive sampling technique in monitoring research on quality of atmospheric air in the area of Tczew, Poland.
PublicationThis paper presents the results of atmospheric air quality research in Tczew (adjacent to the Vistula River) on the content of BTEX compounds. Analytical procedure applied during the sampling of the analytes from the air used the passive sampling technique (diffusive passive sampler, Radiello®). For determination of BTEX compounds in atmospheric air, two-stage thermal desorption technique combined with gas chromatography (TD-GC-FID)...
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublicationAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Structural and dynamic insights on the EmrE protein with TPP+ and related substrates through molecular dynamics simulations
PublicationEmrE is a bacterial transporter protein that forms an anti-parallel homodimer with four transmembrane helices in each monomer. EmrE transports positively charged aromatic compounds, such as TPP+ and its derivatives. We performed molecular dynamics (MD) simulations of EmrE in complex with TPP+, MeTPP+, and MBTPP+ embedded in a membrane. The detailed molecular properties and interactions were analysed for all EmrE-ligand complexes....
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Selection of DES for biotrickling filtration of air polluted with hexane and cyclohexane
Open Research DataDataset covers selected data collected during selection of deep eutectic solvent (DES) additive to mineral salt medium (MSM) as a liquid phase during biotrickling filtration of air polluted with hexane and cyclohexane.
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Gold nanocubic structures functionalization with organic layers
Open Research DataThis dataset contains the XPS spectra obtained for gold nanocubes (AuNC), which were deposited at the gold electrode surface and dried. The AuNC's were first functionalized with either cysteamine in EtOH or mercaptopropionic acid in EtOH. The concentration of these compounds was 20 mM. The interaction of the functionalized with the AuNC surface was...
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Theoretical Encapsulation of Fluorouracil (5-FU) Anti-Cancer Chemotherapy Drug into Carbon Nanotubes (CNT) and Boron Nitride Nanotubes (BNNT)
PublicationIntroduction: Chemotherapy with anti-cancer drugs is considered the most common approach for killing cancer cells in the human body. However, some barriers such as toxicity and side effects would limit its usage. In this regard, nano-based drug delivery systems have emerged as cost-effective and efficient for sustained and targeted drug delivery. Nanotubes such as carbon nanotubes (CNT) and boron nitride nanotubes (BNNT) are promising...
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The importance of anchoring ligands of binuclear sensitizers on electron transfer processes and photovoltaic action in dye-sensitized solar cells
PublicationThe relatively low photon-to-current conversion efficiency of dye-sensitized solar cells is their major drawback limiting widespread application. Light harvesting, followed by a series of electron transfer processes, is the critical step in photocurrent generation. An in-depth understanding and fine optimization of those processes are crucial to enhance cell performance. In this work, we synthesize two new bi-ruthenium sensitizers...
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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
PublicationA 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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Antibacterial polyurethanes, modifed with cinnamaldehyde, as potential materials for fabrication of wound dressings
PublicationThe epidermis is a skin layer, which protects an organism from the different factors of external environment. Therefore, the fast and effective regeneration of epidermis is important. Potential materials used for epidermis regeneration may be polyurethane scaffolds in form of the thin permeable layers. One and main disadvantage of such polyurethane scaffolds are their lack of antibacterial and antifungal properties. The great proposition...
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublicationThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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The overexpression of CPR and P450 3A4 in pancreatic cancer cells changes the metabolic profile and increases the cytotoxicity and pro-apoptotic activity of acridine antitumor agent, C-1748
PublicationDrug resistance is one of the major cause of pancreatic cancer treatment failure. Thus, it is still imperative to develop new active compounds and novel approach to improve drug efficacy. Here we present 9-amino-1-nitroacridine antitumor agent, C-1748, developed in our laboratory, as a candidate for pancreatic cancer treatment. We examined (i) the cellular response of pancreatic cancer cell lines: Panc-1, MiaPaCa-2, BxPC-3 and...
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Comprehensive two dimensional gas chromatography coupled with mass spectrometry as tool for characterization of the main pollutants present in atmospheric air in Gdansk
PublicationNowadays, the technique that is commonly used to identify and quantify the chemical compounds in gas sample is gas chromatography. The separation resolution in gas chromatography can be improved by applying the modulation technique. In this paper present is the most important information regarding the pollutants present in atmospheric air. The areas in which the tests were carried out are one of the largest industrial zones in...
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High resolution liquid chromatography and time of flight mass spectrometry in perfume analysis
PublicationPerfumes consist of a wide range of natural and synthetic compounds that belongs to different chemical classes. Most of these compounds are generally determined by GC. However, in this study RP-HPLC-Q-TOF-MS and HILIC-Q-TOF-MS technique was applied for the determination of ingredients of original perfumes and their imitations. Antioxidants and compounds specific to fragrances of animal \origin were found in original...
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Comprehensive two-dimensional gas chromatography for determination of the terpenes profile of blue honeysuckle berries
PublicationTerpenes are the main group of secondary metabolites, which play essential role in human. The establishment of the terpenes profile of berries of different blue honeysuckle cultivars was achieved by headspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (HS-SPME/GCGC-TOFMS). The berries were found to contain 44 terpenes identified by GCGC-TOFMS....
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Comprehensive determination of flavouring additives and nicotine in e-cigarette refill solutions. Part I: Liquid chromatography-tandem mass spectrometry analysis
PublicationLiquid chromatography-tandem mass spectrometry with electrospray ionization (HPLC-ESI–MS/MS) methods were developed for the simultaneous determination of 42 flavouring compounds and nicotine in liquids for e-cigarettes. The chromatographic separation was performed using an Ace® Ultracore™ SuperC18™ (100 × 2.1 mm, 2.5 μm) column in both acidic and alkaline pH conditions to separate all the compounds. A simple “dilute & shoot” approach...
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Pretreatment of Lignocellulosic Materials as Substrates for Fermentation Processes
PublicationLignocellulosic biomass is an abundant and renewable resource that potentially contains large amounts of energy. It is an interesting alternative for fossil fuels, allowing the production of biofuels and other organic compounds. In this paper, a review devoted to the processing of lignocellulosic materials as substrates for fermentation processes is presented. The review focuses on physical, chemical, physicochemical, enzymatic,...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Simultaneous Removal of Hexane and Ethanol from Air in a Biotrickling Filter—Process Performance and Monitoring Using Electronic Nose
PublicationBiofiltration is a well-accepted method for the removal of malodorous compounds from air streams. Interestingly, the mechanisms underlying this process are not fully understood. The aim of this paper was to investigate the simultaneous removal of hydrophobic hexane with hydrophilic ethanol, resulting in the enhanced removal of hexane in the presence of ethanol. Investigations were performed in a peat-perlite packed biotrickling...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Emissions and toxic units of solvent, monomer and additive residues released to gaseous phase from latex balloons
PublicationThis study describes the VOCs emissions from commercially available latex balloons. Nine compounds are determined to be emitted from 13 types of balloons of different colors and imprints in 30 and 60°C. The average values of total volatile organic compounds (TVOCs) emitted from studied samples ranged from 0.054 up to 7.18 μg∙g-1 and from 0.27 up to 36.13 μg∙g-1 for 30oC and 60oC, respectively. The dataset is treated with principal...
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Metabolic transformation of antitumor acridinone C-1305 but not C-1311 via selective cellular expression of UGT1A10 increases cytotoxic response: implications for clinical use.
PublicationThe acridinone derivates C-1305 and C-1311 are promising antitumor agents with high activity against several experimental cellular and tumor models and which are under evaluation in pre-clinical and early phase clinical trials. Recent evidence from our laboratories has indicated that both compounds were conjugated by several UGT isoforms with the most active being extrahepatic UGT1A10. The present studies were designed to test...
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A Green Chemistry "environmentally friendly" approach to the synthesis of chloro-intermediates of ephedrine/pseudoephedrine
PublicationMethylamphetamine is an addictive stimulant drug that strongly activates certain systems in the brain. It is closely related chemically to amphetamine, but the central nervous system effects of methamphetamine are greater. There is much interest in methylamphetamine among scientists and therefore the synthesizes of methylamphetamine and its metabolites are carried out on a large scale in chemical laboratories. Globally, ephedrine...
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Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols
PublicationX-ray crystallographic analysis of the title compounds revealed that they assume a folded helical con- formation of an approximate C2 symmetry in the solid state. Dithioamide, diselenoamide and monoselenoamide were resolved to enantiomers by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes was assigned as P. The optical activity of the resolved compounds...
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Neuroprotective Effects of Cannabidiol in Hypoxic Ischemic Insult. The Therapeutic Window in Newborn Mice
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Development of Safirinium dyes for new applications: fluorescent staining of bacteria, human kidney cells, and the horny layer of the epidermis
PublicationLow-molecular synthetic fluorophores are convenient tools in bioimaging applications. Several derivatives of Safirinium dyes as well as their reactive N-hydroxysuccinimide (NHS) esters bearing diverse substituents were synthesized and evaluated experimentally in terms of their lipophilicity by means of reverse-phase and immobilized artificial membrane high-performance liquid chromatography. Subsequently, the selected compounds...
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Differences between selected volatile aromatic compound concentrations in sludge samples in various steps of wastewater treatment plant operations
PublicationSewage sludge, one of the main wastes generated during wastewater treatment, constitutes an important source of emissions of volatile chemical compounds such as volatile aromatic compounds These substances may undergo various changes as a result of operations and unit processes, which affects their concentrations in sewage sludge. An important factor determining the potential hazardousness of volatile organic compounds is the quality...
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The Influence of the Co-Dopant Dexamethasone Phosphate on the Electrodeposition Process and Drug-Release Properties of Polypyrrole-Salicylate on Iron
PublicationIn this work, the influence of incorporation of two anti-inflammatory drugs dexamethasone phosphate and sodium salicylate on the electrodeposition process of polypyrrole (PPy) film on iron has been studied. The incorporation of the agents into PPy has been carried out in a one-step electropolymerization process on oxidizable iron. The role of each drug agent during the deposition process has been discussed. The morphological and...
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Zastosowanie metod eksploracji danych do analizy odpowiedzi czujników gazu
PublicationZagadnienia poruszane w niniejszej rozprawie dotyczą zastosowania metod eksploracji danych do analizy odpowiedzi czujników gazu, umożliwiających poprawną identyfikację składu mieszaniny gazowej w elektronicznych systemach rozpoznawania gazu. Elektroniczne systemy rozpoznawania gazu to urządzenia wykorzystujące czujniki gazu oraz odpowiednio dobrane metody analizy danych pomiarowych, zdolne do określenia składu mierzonej mieszaniny...
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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublicationRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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Palindromic carbazole derivatives: unveiling their antiproliferative effect via topoisomerase II catalytic inhibition and apoptosis induction
PublicationHuman DNA topoisomerases are essential for crucial cellular processes, including DNA replication, transcription, chromatin condensation, and maintenance of its structure. One of the significant strategies employed in cancer treatment involves the inhibition of a specific type of topoisomerase, known as topoisomerase II (Topo II). Carbazole derivatives, recognised for their varied biological activities, have recently become a significant...
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Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition
PublicationHeterocyclic pharmacophores such as thiazole and quinoline rings have a significant role in medicinal chemistry. They are considered privileged structures since they constitute several Food and Drug Administration (FDA)-approved drugs for cancer treatment. Herein, we report the synthesis, in silico evaluation of the ADMET profiles, and in vitro investigation of the anticancer activity of a series of novel thiazolyl-hydrazones based...
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Determination of Formaldehyde and Cyanide Ion in Human Nasal Discharge by Using Simple Spectrophotometric Methods
PublicationEnvironmental tobacco smoke (ETS) contains many toxic compounds which include substances classified as aldehydes (e.g. formaldehyde) and inorganic substances such as cyanide ions. The information on the determination of these compounds in water is available, but the monitoring data on the level of these substances in human body fluids are still lacking. In this work the procedure for determining cyanide ions and formaldehyde in...
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Usuwanie lotnych związków organicznych z fazy gazowej z zastosowaniem cieczy jonowych
PublicationUżycie cieczy jonowej do usuwania LZO jest limitowane przez rozpuszczalność usuwanych związków. Dane literaturowe sugerują, że ciecze jonowe jako faza membranowa mogą być z powodzeniem stosowane do selektywnej separacji węglowodorów aromatycznych z mieszanin węglowodorów aromatycznych i alifatycznych. Przedmiotem pracy było kompleksowe opisanie procesu separacji LZO z fazy gazowej z uwzględnieniem czynników wpływających na efektywność...
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Novel Resveratrol-Based Substrates for Human Hepatic, Renal, and Intestinal UDP-Glucuronosyltransferases
PublicationTrans-Resveratrol (tRes) has been shown to have powerful antioxidant, anti-inflammatory, anti-carcinogenic, and anti-aging properties; however, its use as a therapeutic agent is limited by its rapid metabolism into its conjugated forms by UDP-Glucuronosyltransferases (UGTs). The aim of the current study was to test the hypothesis that the limited bioavailability of tRes can be improved by modifying its structure to create analogs...
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Oznaczanie śladowych ilości związków organicznych w próbkach o złożonych matrycach zgodne z regułami ''zielonej chemii analitycznej''. Krótkołańcuchowe kwasy karboksylowe = Increasingly green approaches to the determination of selected trace organic in complex matrices. Short chain carboxylic acids
PublicationNowadays the great stress is put on environment protection and the activities to minimize the effect of chemical analyses on the environment are discussed. When environmentally friendly methodologies of analytes determination are applied the term "green analytical chemistry" is used. In general, the determination of organic compounds in complex matrices, which is a frequent analytical task, requires separation of sample components...
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Structural factors affecting affinity of cytotoxic oxathiole-fused chalcones toward tubulin
PublicationSynthesis, in vitro cytotoxic activity, and interaction with tubulin of (E)-1-(6-alkoxybenzo[d][1,3]oxathiol- 5-yl)-3-phenylprop-2-en-1-one derivatives (2) are described. Some of the compounds demonstrated cytotoxic activity at submicromolar concentrations, and the activity could be related to interaction with tubulin at the colchicine binding site. Interaction of selected derivatives with tubulinwas evaluated using molecular modeling,...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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A headspace solid-phase microextraction method development and itsapplication in the determination of volatiles in honeys by gas chromatography
PublicationThe first part of the paper presents the detailed optimisation of all steps of the determination procedureof volatiles from Polish honeys by headspace solid-phase microextraction (HS-SPME) as the sample preparationmethod and gas chromatography/mass spectrometry (GC-MS) as the method of final determination.The methodology of semi-quantative analysis allowed the isolation and identification of volatile fractioncompounds from popular...
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Cuticular lipids of insects as potential biofungicides
PublicationThe term ''lipids'' refers to fatty acids, their derivatives and substances related with them biochemically or by the functions in the body. Lipids include compounds with different chemical structure. There are lipids with structures based on long-chain carboxylic acids and their direct derivatives, namely: fatty acids, alkanes, some alkenes, aldehydes and long chain alcohols and their derivatives (esters). The variety of lipid...
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Current trends in analytical strategies for determination of polybrominated diphenyl ethers (PBDEs) in samples with different matrix compositions – Part 1.: Screening of new developments in sample preparation
PublicationPolybrominated diphenyl ethers (PBDEs) are ubiquitous compounds in the environment. Restrictions on the use of PBDEs introduced at the beginning of the 21st century have not eliminated these highly persistent and bioaccumulative compounds from the environment. Despite many existing regulations to control and phase out, extensive research on PBDEs is still necessary to fully evaluate the hazard their create to the environment. In...
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Role of methylation in electron scattering on X(CH3)4 (X= C, Si, Ge) molecules (2)
PublicationTo investigate how replacement of H atom with methyl group (CH3) – in tetrahedral compounds of carbon, silicon and germanium – affects electron scattering process, total cross sections (TCS) for electron scattering from C(CH3)4, Si(CH3)4 and Ge(CH3)4 molecules have been compared with data for CH4, SiH4 and GeH4 molecules. All examined data have been obtained with the same experimental setup. The shape of all discussed TCS energy...
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Effective method of treatment of industrial effluents under basic pH conditions using acoustic cavitation – a comprehensive comparison with hydrodynamic cavitation processes
PublicationThe use of acoustic cavitation in advanced oxidation processes (AOPs) is a promising trend in research for treatment of industrial effluents. The paper presents the results of investigations on the use of acoustic cavitation aided by additional oxidation processes (ozonation/H2O2 oxidation/Peroxone/UV-C) for the treatment of effluents from the production of bitumens. Under these conditions, the total contaminant load, expressed...