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Search results for: STRUCTURE-BASED DRUG DESIGN
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Human UDP-Glucuronosyltransferases: Effects of altered expression in breast and pancreatic cancer cell lines.
PublicationIncreased aerobic glycolysis and de novo lipid biosynthesis are common characteristics of invasive cancers. UDP-glucuronosyltransferases (UGTs) are phase II drug metabolizing enzymes that in normal cells possess the ability to glucuronidate these lipids and speed their excretion; however, de-regulation of these enzymes in cancer cells can lead to an accumulation of bioactive lipids, which further fuels cancer progression. We hypothesize...
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Modulation of UDP-glucuronidation by acridinone antitumor agents C-1305 and C-1311 in HepG2 and HT29 cell lines, despite slight impact in noncellular systems.
PublicationBackground Among the studied antitumor acridinone derivatives developed in our laboratory, 5-dimethylaminopropylamino-8-hydroxytriazoloacridinone (C-1305) and 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) exhibited cytotoxic and antitumor properties against several cancer types and were selected to be evaluated in preclinical and early-phase clinical trials. In the present work, we investigated the impact of C-1305...
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Determination of MDPBP in postmortem blood samples by gas chromatography coupled with mass spectrometry
PublicationMDPBP (1-(3,4-methylenedioxyphenyl)-2-(1-pyrrolidinyl)-1-butanone) is a new psychoactive substance sold on the black market. It has been a controlled drug of abuse in Poland and China since 2015 as some toxic and fatal cases connected with use of synthetic cathinone derivatives were observed. The fatal case outlined here concerns a 19 year-old man, who was found dead with an envelope containing white powder lying nearby the cadaver....
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublicationSolubility 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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Essential Oils, Silver Nanoparticles and Propolis as Alternative Agents Against Fluconazole Resistant Candida albicans, Candida glabrata and Candida krusei Clinical Isolates
PublicationDevelopment of effective and safe therapeutic treatment of fungal infections remains one of the major challenge for modern medicine. The aim of presented investigation was to analyze the in vitro antifungal activity of selected essential oils, ethanolic extracts of propolis and silver nanoparticles dropped on TiO2 against azole-resistant C. albicans (n = 20), C. glabrata (n = 14) and C. krusei (n = 10) clinical isolates. Among...
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Recent Advances in Polymer Nanocomposites: Unveiling the Frontier of Shape Memory and Self-Healing Properties—A Comprehensive Review
PublicationShape memory and self-healing polymer nanocomposites have attracted considerable attention due to their modifiable properties and promising applications. The incorporation of nanomaterials (polypyrrole, carboxyl methyl cellulose, carbon nanotubes, titania nanotubes, graphene, graphene oxide, mesoporous silica) into these polymers has significantly enhanced their performance, opening up new avenues for diverse applications. The...
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Occurrence and seasonal variations of 25 pharmaceutical residues in wastewater and drinking water treatment plants
PublicationThousands of tons of pharmaceuticals are introduced into the aqueous environment due to their incomplete elimination during treatment process in wastewater treatment plants (WWTPs) and water treat- ment plants (WTPs). The presence of pharmacologically active compounds in the environment is of a great interest because of their potential to cause negative effects. Furthermore, drugs can undergo different pro- cesses leading to the...
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Application of BiOClnBrm photocatalyst to cytostatic drugs removal from water; mechanism and toxicity assessment
PublicationThe photocatalytic activity of series of BiOClnBrm photocatalysts toward degradation and mineralization of the cytostatic drugs 5-fluorouracil (5-FU) and imatinib mesylate (IMA) both singly and in their mixture under simulated solar and visible light irradiation has been investigated. Screening test revealed that among BiOClnBrm photocatalysts synthesized by a solvothermal method, the one with molar 1.3Cl/0.7Br ratio was the most...
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Gamma oscillations precede interictal epileptiform spikes in the seizure onset zone
PublicationOBJECTIVE: To investigate the generation, spectral characteristics, and potential clinical significance of brain activity preceding interictal epileptiform spike discharges (IEDs) recorded with intracranial EEG. METHODS: Seventeen adult patients with drug-resistant temporal lobe epilepsy were implanted with intracranial electrodes as part of their evaluation for epilepsy surgery. IEDs detected on clinical macro- and research microelectrodes...
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Long-Term Stability of Benzodiazepines and Z-Hypnotic Drugs in Blood Samples Stored at Varying Temperatures
PublicationBenzodiazepines (BZDs) and Z-drugs are among the most commonly prescribed pharmaceuticals in the world and are considered standard care for various mental illnesses and for treatment of sleeping and anxiety disorders, alcohol withdrawal, muscle spasms and epilepsy. Some BZDs are not allowed as pharmaceuticals in many countries, and they are used as "designer benzodiazepines" (DBZDs). All these compounds are typically screened in...
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Fluconazole resistant Candida auris clinical isolates have increased levels of cell wall chitin and increased susceptibility to a glucosamine-6-phosphate synthase inhibitor
PublicationIn 2009 Candida auris was first isolated as fungal pathogen of human disease from ear canal of a patient in Japan. In less than a decade, this pathogen has rapidly spread around the world and has now become a major health challenge that is of particular concern because many strains are resistant to multiple class of antifungal drugs. The lack of available antifungals and rapid increase of this fungal pathogen provides an incentive...
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Adrian Bekasiewicz dr hab. inż.
PeopleAdrian Bekasiewicz received the MSc, PhD, and DSc degrees in electronic engineering from Gdansk University of Technology, Poland, in 2011, 2016, and 2020, respectively. In 2014, he joined Engineering Optimization & Modeling Center where he held a Research Associate and a Postdoctoral Fellow positions, respectively. Currently, he is an Associate Professor with Gdansk University of Technology, Poland. His research interests include...
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Box-Behnken design optimization of pipette tip solid phase extraction for methyl orange and acid red determination by spectrophotometry in seawater samples using graphite based magnetic NiFe2O4 decorated exfoliated as sorbent
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Tetracycline and ampicillin resistance of Escherichia coli strains of surface water origin: the potential for horizontal transfer of resistance genes = Oporność na tetracyklinę i ampicylinę szczepów Escherichia Coli wyizolowanych z wody powierzchniowej : możliwość horyzontalnego przenoszenia genów oporności
PublicationThe aim of this preliminary study was to assess the occurrence and molecular diversity of tetracycline and ampicillin resistance genes carried by Escherichia coli present in surface water. Bacterial strains were isolated from two watercourses (the Reda River and the Oliwski Stream) that influence the quality of coastal waters in the Gdańsk Bay (Northern Poland) by direct discharge. The bacterial drug susceptibility, tested against...
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Role of miR-15b/16–2 cluster network in endometrial cancer: An in silico pathway and prognostic analysis
PublicationEndometrial cancer (EC) is the second most common cancer in women. A large number of human cancers exhibit dysregulation of microRNA expression including EC. MiR-15b/16–2 is one of the best-known miRNA clusters that is expressed in many types of cancer tissues. Herein, we analyzed the expression of individual miR-15b/16–2 cluster members, its paralogues, and their target network analysis, as well as their prognostic significance...
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Assestment of the anti-cancer activity of the copper complexes with imidazole and pivalato ligands
PublicationDespite the development of science and technology progress so far there have not been found effective drugs for cancer. Many coordination compounds were investigated due to their antitumor potential. The most known cis-diamminedichloroplatinum(II) is used as anti-cancer therapeutic agent. The copper complexes are the coordination compounds possessing anti-tumour properties. Their capability to kill cancer cells is mainly linked...
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(4-(Bis(4-Fluorophenyl)Methyl)Piperazin-1-yl)(Cyclohexyl)Methanone Hydrochloride (LDK1229): A New Cannabinoid CB1 Receptor Inverse Agonist from the Class of Benzhydryl Piperazine Analogs
PublicationSome inverse agonists of cannabinoid receptor type 1 (CB1) have been demonstrated to be anorectic antiobesity drug candidates. However, the first generation of CB1 inverse agonists, represented by rimonabant (SR141716A), otenabant, and taranabant, are centrally active, with a high level of psychiatric side effects. Hence, the discovery of CB1 inverse agonists with a chemical scaffold distinct from these holds promise for developing...
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Electrochemical simulation of metabolic reduction and conjugation reactions of unsymmetrical bisacridine antitumor agents, C-2028 and C-2053
PublicationElectrochemistry (EC) coupled with analysis techniques such as liquid chromatography (LC) and mass spectrometry (MS) has been developed as a powerful tool for drug metabolism simulation. The application of EC in metabolic studies is particularly favourable due to the low matrix contribution compared to in vitro or in vivo biological models. In this paper, the EC(/LC)/MS system was applied to simulate phase I metabolism of the representative...
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Effect of pH on optical sensing with poly-L-lysine-modified nanodiamonds
PublicationNitrogen-vacancy (NV) centers are crystallographic defects which provide diamonds with unique physical properties. The centers are known for their intensive, time-stable fluorescence, and an electron spin, which exhibits long coherence time and may be manipulated using external stimuli. Nanodiamonds containing the NV centers are promising tools in biolabeling, biosensing, and drug delivery due to the aforementioned properties of...
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Dissecting gamma frequency activities during human memory processing
PublicationGamma frequency activity (30-150 Hz) is induced in cognitive tasks and is thought to reflect underlying neural processes. Gamma frequency activity can be recorded directly from the human brain using intracranial electrodes implanted in patients undergoing treatment for drug-resistant epilepsy. Previous studies have independently explored narrowband oscillations in the local field potential and broadband power increases. It is not...
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Experimental database of 3D lattice structure scaffolds testing
Open Research DataDataset contains results of validation (experimental testing) of 3D lattice scaffolds proposed in the paper "Mathematical approach to design 3D scaffolds for the 3D printable bone implant". There are presented three series of experimental testing for each of seven tested scaffolds:
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Application of Box–Behnken design in the optimization of a simple graphene oxide/zinc oxide nanocomposite-based pipette tip micro-solid phase extraction for the determination of Rhodamine B and Malachite green in seawater samples by spectrophotometry
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Polyacrylamide substrate viscosity impact on temozolomide activity in glioblastoma cells by flow cytometry and rheological measurements
Open Research DataDataset includes raw data on cell lines LN-229 and LN-18 treated with temozolomide measured by flow cytometry, rheometry and cell projections. It also includes calculations necessary for creation of figures and conclusions based on those figures in the publication titiled: "Substrate viscosity impairs temozolomide-mediated inhibition of glioblastoma...
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Targeting of FLT3-ITD kinase contributes to high selectivity of imidazoacridinone C-1311 against FLT3-activated leukemia cells
PublicationDrugs targeting receptor tyrosine kinase FLT3 are of particular interest since activating FLT3-internal tandem duplication (ITD) mutations abundantly occur in fatal acute myeloid leukemias (AMLs). Imidazoacridinone C-1311, a DNA-reactive inhibitor of topoisomerase II, has been previously shown to be a potent and selective inhibitor of recombinant FLT3. Here, we expand those findings by studying its effect on leukemia cells with...
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Prenatal exposure to substance of abuse: A worldwide problem
PublicationSubstance abuse during pregnancy is an important public health issue affecting the mother and the growing infant. Preterm labor, miscarriage, abruption and postpartum hemorrhage are obstetric complications which have been associated with women who are dependent on abused substances. Moreover, women are also at an increased risk of medical problems such as poor nutrition, anemia, urinary tract infections as well as sexually transmitted...
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Fatal N-Ethylhexedrone Intoxication
PublicationN-Ethylhexedrone [2-(ethyloamino)-1-phenylhexan-1-one; α-ethylaminohexanophenone; NEH] is one of the most recent synthetic cathinones that appeared on the illegal market in late 2015. The majority of information concerning the model of consumption of NEH and its impact on the body originates only from self-reports from grey literature websites and drug forums. There are only limited data associated with the concentrations of NEH...
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Targeting shelterin proteins for cancer therapy.
PublicationAs a global health challenge, cancer prompts continuous exploration for innovative therapies that are also based on new targets. One promising avenue is targeting the shelterin protein complex, a safeguard for telomeres crucial in preventing DNA damage. The role of shelterin in modulating ataxia- telangiectasia mutated (ATM) and ataxia-telangiectasia and Rad3-related (ATR) kinases, key players in the DNA damage response (DDR),...
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Rapid EM-Driven Design of Compact RF Circuits By Means of Nested Space Mapping
PublicationA methodology for rapid design of RF circuits constituted by compact microstrip resonant-cells (CMRCs) is presented. Our approach exploits nested space mapping (NSM) technology, where the inner SM layer is used to correct the equivalent circuit model at the CMRC level, whereas the outer layer enhances the coarse model of the entire structure under design. We demonstrate that NSM dramatically improves performance of surrogate-based...
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Investigation of temperature changes using a microsphere-based fiber-optic sensor
Open Research DataInvestigation of temperature changes using a microsphere-based fiber-optic sensor with a 200 nm ZnO ALD coating for the purpose of validation the design of the sensor, measurement setup and method of examination of electric cell materials.
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Case Study NEB Atlas / part I - 3D Models / King's Cross, London
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to create a digital model - a simplified digital twin - for selected parts of housing estates already realised in various cities in Europe. This group presents a model for a fragment of the King's Cross, London, UK. The students...
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Marek Czachor prof. dr hab.
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Introductory CDIO Project [Energy Technologies][2021/22]
e-Learning CoursesDesign of complete prototype of Simple electronic circuit (DC-DC converter) with control based on integrated circuit.
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Introductory CDIO Project [Energy Technologies][2021/22]
e-Learning CoursesDesign of complete prototype of Simple electronic circuit (DC-DC converter) with control based on integrated circuit.
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The antitumor compound triazoloacridinone C-1305 inhibits FLT3 kinase activity and potentiates apoptosis in mutant FLT3-ITD leukemia cells.
PublicationAim: FMS-like receptor tyrosine kinase (FLT3) is expressed in some normal hematopoietic cell types and plays an important role in the pathogenesis of acute myeloid leukemia (AML). In this study, we examined the effects of triazoloacridinone C-1305, an antitumor compound, on AML cells with different FLT3 status in vitro. Methods: A panel of human leukemic cell lines with different FLT3 status was used, including FLT3 internal tandem...
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Validation and modification of HPLC method for monitoring acetaminophen plasma concentrations in patients with chronic pancreatitis
PublicationBackground. Pancreatitis is the inflammation of the pancreas. The infl ammation may occur suddenly and resolve in a few days with the treatment in case of acute pancreatitis (AP). Chronic pancreatitis (CP) is a persistent inflammation of the pancreas that results in irreversible morphological changes and impairment of both exocrine and endocrine functions. Abdominal...
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Case Study NEB Atlas / part I - 3D Models / Brunnshög, Lund
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to create a digital model - a simplified digital twin - for selected parts of housing estates already realised in various cities in Europe. This group presents a model for a fragment of the Brunnshög district in Lund, Sweden....
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RESIDENTIAL FUNCTION IN MULTI-CRITERIA MULTIFUNCTIONAL BUILDING SYSTEM DESIGN PROCESS
PublicationThe paper presents the multi-criteria approach in the design process of residential structure as a part of a multifunctional building system. The purpose of work was to broaden the field of multifunctional building system design process. Background for the presented work is to define the direction of architectural growth of the modern city center area where actually are built complex and large capacity structures with a great impact...
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Fast Simulation-Driven Design of a Planar UWB Dipole Antenna with an Integrated Balun
PublicationThe paper presents a design of an ultra-wideband (UWB) antenna with an integrated balun. A fully planar balun interfacing the microstrip input of the structure to the coplanar stripline (CPS) input of the dipole antenna is introduced. The electromagnetic (EM) model of the structure includes the dipole, the balun, and the microstrip input to account for interactions over the UWB band. The EM model is adjusted for low reflection...
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Chicken feather keratin as a source of bioactive peptides useful in prevention of metabolic disorders – in silico and in vitro hydrolysis
PublicationProtein derived bioactive peptides not only serve as nutrients but can also exert drug-like activity, e.g. antidiabetic, antihypertensive, or antimicrobial, to name a few. Most biopeptides have beneficial effects on health that make them attractive for nutraceutical applications. The majority of bioactive peptides have been obtained from food proteins, but protein-rich by-products generated by agriculture...
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A method for the production of D-tagatose using a recombinant Pichia pastoris strain secreting beta-D-galactosidase from Arthrobacter chlorophenolicus and a recombinant L-arabinose isomerase from Arthrobacter sp. 22c
PublicationD-Tagatose is a natural monosaccharide which can be used as a low-calorie sugar substitute in food, beverages and pharmaceutical products. It is also currently being tested as an anti-diabetic and obesity control drug. D-Tagatose is a rare sugar, but it can be manufactured by the chemical or enzymatic isomerization of D-galactose obtained by a beta-D-galactosidase-catalyzed hydrolysis of milk sugar lactose and the separation of...
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Piotr Lorens prof. dr hab. inż. arch.
PeopleProf. Piotr Lorens - PhD, DSc., urban planner. Lecturer in urban design and development and - since 2007 - Head of the Department of Urban Design and Regional Planning at the Faculty of Architecture, Gdansk University of Technology. His university activities also include coordination of the research and EU Social Fund projects. Based on these projects he was responsible for organization and coordination of the post-graduate studies...
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Krzysztof Goczyła prof. dr hab. inż.
PeopleKrzysztof Goczyła, full professor of Gdańsk University of Technology, computer scientist, a specialist in software engineering, knowledge engineering and databases. He graduated from the Faculty of Electronics Technical University of Gdansk in 1976 with a degree in electronic engineering, specializing in automation. Since then he has been working at Gdańsk University of Technology. In 1982 he obtained a doctorate in computer science...
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Computationally Efficient Design Optimization of Compact Microwave and Antenna Structures
PublicationMiniaturization is one of the important concerns of contemporary wireless communication systems, especially regarding their passive microwave components, such as filters, couplers, power dividers, etc., as well as antennas. It is also very challenging, because adequate performance evaluation of such components requires full-wave electromagnetic (EM) simulation, which is computationally expensive. Although high-fidelity EM analysis...
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Arsalan Muhammad Soomar Doctoral Student
PeopleHi, I'm Arsalan Muhammad Soomar, an Electrical Engineer. I received my Master's and Bachelor's Degree in the field of Electrical Engineering from Mehran University of Engineering and Technology, Jamshoro, Sindh, Pakistan. Currently enrolled as a Doctoral student at the Gdansk University of Technology, Gdansk, Poland. Also worked in Yellowlite. INC, Ohio as a Solar Design Engineer. HEADLINE Currently Enrolled as a Doctoral...
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PRELIMINARY FIELD TESTS AND LONG-TERM MONITORING AS A METHOD OF DESIGN RISK MITIGATION: A CASE STUDY OF GDAŃSK DEEPWATER CONTAINER TERMINAL
PublicationAppropriate risk assessment plays a fundamental role in the design. . The authors propose a possible method of design risk mitigation, which follows recommendations included in Eurocode 7. The so-called “Observational Method” (OM) can produce savings in costs and programmes on engineering projects without compromising safety. The case study presented is a complex design solution that deals with the heavy foundations of a gantry...
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Rapid design optimization of compact couplers using response features and adjoint sensitivities
PublicationA technique for rapid EM-driven design optimization of compact microwave couplers is presented. Our approach exploits response features and adjoint sensitivities and allows for low-cost design closure both in terms of performance enhancement and structure miniaturization. It is demonstrated using a compact rat-race coupler working at 1 GHz and compared to adjoint-based gradient optimization.
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Grzegorz Lentka dr hab. inż.
PeopleGrzegorz Lentka obtained his MSc title in electronics, specialization Measurement Systems at Gdańsk University of Technology, Faculty of Electronics, Telecommunications and Informatics in 1996. He obtained the PhD title in 2003 and habilitation in 2014, respectively. Currently he is an professor in Department of Metrology and Optoelectronics. His main scientific interests are focused on digital signal processing for metrology,...
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The luminescence study of SrAl11.88−xGaxO19:0.12Cr3+ coumpounds.
Open Research DataPortable near-infrared (NIR) light sources are in high demand for applications in spectroscopy, night vision, bioimaging, and many others. Typical phosphor designs feature isolated Cr3+ ion centers, and it is challenging to design broadband NIR phosphors based on Cr3+–Cr3+ pairs. Here, we explore the solid-solution series SrAl11.88–xGaxO19:0.12Cr3+...
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The mechanism of internalization study of QDgreen−CD−FA−C−2028 conjugate at IC80 value to cancer (H460, Du-145, and LNCaP) and normal (MRC-5 and PNT1A) cells
Open Research DataThe influence of different endocytosis inhibitors on the internalization of QDgreen−CD−FA−C−2028 conjugate at IC80 value in cancer (H460, Du-145, and LNCaP) and normal (MRC-5 and PNT1A) cells. First, the cells were preincubated with: drug-free medium (no inhibitor), at 4 °C, 5 µM Cytochalasin D, 30 µM Amiloride, 80 µM Dynasore, 25 µM Pitstop 2 and 1.5...
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Synthesis and biological evaluation of fluorinated 3-phenylcoumarin-7-O-sulfamate derivatives as steroid sulfatase inhibitors
PublicationIn the present work, we report the initial results of our study on a series of 3-phenylcoumarin sulfamate-based compounds containing C-F bonds as a novel inhibitors of steroid sulfatase (STS). The new compounds are potent STS inhibitors, possessing more than 10 times higher inhibitory potency than coumarin-7-O-sulfamate. In the course of our investigation, compounds 2b and 2c demonstrated the highest inhibitory effect in the enzymatic...