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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
PublikacjaDeep 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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Synthesis of 3-indolylmethyl substituted (pyrazolo/benzo)triazinone derivatives under Pd/Cu-catalysis: Identification of potent inhibitors of chorismate mutase (CM)
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020).
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Anti-cancer effect of Rumex obtusifolius in combination with arginase/nitric oxide synthase inhibitors via downregulation of oxidative stress, inflammation, and polyamine synthesis
PublikacjaCancer continues to be a leading cause of death worldwide, making the development of new treatment methods crucial in the fight against it. With cancer incidence rates increasing worldwide, ongoing research must focus on identifying new and effective ways to prevent and treat the disease. The combination of herbal extracts with chemotherapeutic agents has gained much interest as a novel strategy to combat cancer. Rumex obtusifolius...
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Mathematical model to assess energy consumption using water inflow-drainage system of iron-ore mines in terms of a stochastic process
PublikacjaPurpose is to develop a unified mathematical model to assess energy efficiency of a water inflow-drainage process as the real variant of stochastic method for water pumping from underground workings of iron-ore mines. Methods. The research process was based upon the methods of probability theory as well as stochastic modelling methods. The stochastic function integration has been reduced to summation of its ordinates and further...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublikacjaPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Hydrophobic derivatives of 2-amino-2-deoxy-D-glucitol-6-phosphate: a newtype of D-glucosamine-6-phosphate synthase inhibitors with antifungal action.
PublikacjaDokonano syntezy szeregu N-acylowych i estrowych pochodnych 2-amino-2-deok-sy-glucitolo-6-fosforanu (ADGP) i zbadano ich aktywność przeciwgrzybową oraz wobec enzymów zaangażowanych we wczesne etapy biosyntezy chityny w komórkach grzybów. Wszystkie badane pochodne okazały się słabszymi inhibitorami enzymu syntezy GlcN-6-P aniżeli ADGP, ale niektóre z nich wykazywały znacznie wyższą aktywność przeciwgrzybową niż związek macierzysty....
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New potent steroid sulphatase inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives
PublikacjaIn the present work, we report a new class of potent steroid sulphatase (STS) inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives. Within the set of new STS inhibitors, 6-(1-(1,2,3-trifluorophenyl)-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate 3L demonstrated the highest activity in the enzymatic assay inhibiting the STS activity to 7.98% at 0.5 µM concentration. Furthermore, to verify...
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Design, synthesis, and molecular docking of new 5-HT reuptake inhibitors based on modified 1,2-dihydrocyclopenta[b] indol-3(4H)-one scaffold
PublikacjaA new group of serotonin reuptake inhibitors containing 1,2-dihydrocyclopenta[b]indol-3(4H)-one scaffoldwas synthesized, starting from indole 5-((1H-indol-3-yl)(1,3-dioxane-4,6-diones as a key intermediates. Following three transformations including intramolecular cyclization and formation of imines, a series of new ligand for human serotonin transporter was obtained. The ability of these ligands to inhibit human TS3 serotonin transporter...
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Synthesis and biological evaluation of fluorinated N-benzoyl and N-phenylacetoyl derivatives of 3-(4-aminophenyl)-coumarin-7-O-sulfamate as steroid sulfatase inhibitors
PublikacjaIn the present work, we report convenient methods for the synthesis of 3-(4-aminophenyl)-coumarin-7-O-sulfamate derivatives N-acylated with fluorinated analogues of benzoic or phenylacetic acid as steroid sulfatase (STS) inhibitors. The design of these potential STS inhibitors was supported by molecular modeling techniques. Additionally, computational docking methods were used to determine the binding modes of the synthesized inhibitors...
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MRS BULLETIN
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Study on VR Application Efficiency of Selected Android OS Mobile Devices
PublikacjaCurrently, the number of scenarios for using VR (Virtual Reality) technology grows every year. Yet, there are still issues associated with it, related with the performance of the mobile device itself. The aim of this work is to perform an analysis of the effectiveness of virtual reality applications in case of mobile platforms. We put the main emphasis on examining the performance and efficiency of four different hardware and software...
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Janus-Estudios Sobre El Siglo de Oro
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Ars Judaica-The Bar Ilan Journal of Jewish Art
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Bernard Quant dr hab. inż.
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Efficacy and safety of B-cell receptor signaling pathway inhibitors in relapsed/refractory chronic lymphocytic leukemia: a systematic review and meta-analysis of randomized clinical trials
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Exploiting the S4–S5 Specificity of Human Neutrophil Proteinase 3 to Improve the Potency of Peptidyl Di(chlorophenyl)-phosphonate Ester Inhibitors: A Kinetic and Molecular Modeling Analysis
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Introduction of non-natural amino acid residues into the substrate-specific P1 position of trypsin inhibitor SFTI-1 yields potent chymotrypsin and cathepsin G inhibitors
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Development of Sulfamoylated 4‑(1-Phenyl‑1H‑1,2,3-triazol-4-yl)phenol Derivatives as Potent Steroid Sulfatase Inhibitors for Efficient Treatment of Breast Cancer
PublikacjaWe present here the advances achieved in the development of new sulfamoylated 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives as potent steroid sulfatase (STS) inhibitors for the treatment of breast cancer. Prompted by promising biological results and in silico analysis, the initial series of similar compounds were extended, appending a variety of m-substituents at the outer phenyl ring. The inhibition profiles of the newly...
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Relationship between copper(ii) complexes with FomA adhesin fragments ofF. nucleatumand colorectal cancer. Coordination pattern and ability to promote ROS production
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Applicability of glass fiber as a support material for generation of gase ous standard mixtures using thermal decomposition of the surface compound. Calibration of analytical equipment.
PublikacjaW pracy przedstawiono technikę sporządzania gazowych mieszanin wzorcowych(składnikiem mierzonym był eten) w oparciu o termiczny rozkład związków powierzchniowych. Jako nośnik dla związku powierzchniowego zastosowano włókno szklane. W temperaturze 245 stopni Celsjusza związek powierzchniowy ulega rozkładowi bądź przegrupowaniu uwalniając znaną ilość analitu (etenu). Technika ta umożliwia sporządzanie gazowych mieszanin...
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Treatment of Odontogenic Maxillary Sinusitis with the Use of Growth Factors in Advanced Platelet-Rich Fibrin for Immediate Closure of Oro-Antral Communication: A Case Report
PublikacjaChronic odontogenic maxillary sinusitis (COMS), a prolonged inflammation of the maxillary sinus lasting over 12 weeks, is often a result of periapical lesions, marginal periodontitis, and complications like oro-antral communication (OAC) and fistula (OAF). OAC, commonly emerging post-teeth extraction in the lateral maxilla, lacks documented treatments using advanced platelet-rich fibrin (A-PRF). This study evaluates A-PRF’s efficacy...
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Cathodic Protection System of the Spiral Classifier at the KGHM Polska Miedź S.A. Ore Concentration Plant—Case Study of Commissioning and Control of Operating Parameters
PublikacjaThe project involved designing, constructing and commissioning a cathodic protection system for a selected spiral classifier operating at the KGHM Polska Miedź S.A. Ore Concentration Plant (O/ZWR). The authors developed a concept and assumptions regarding the corrosion protection of a large industrial device using a cathodic protection system with an external power source. Pre-project studies included conducting a trial polarization...
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Acetylated adipate of retrograded starch as RS 3/4 type resistant starch
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Study on AR Application Efficiency of Selected iOS and Android OS Mobile Devices
PublikacjaCurrently, the number of scenarios for using AR (Augmented Reality) tools grows every year. Yet, there are still some open performance issues associated with this technology, related with the efficiency of the mobile device itself, including build-in components or the operation system. The purpose of this study was to investigate available augmented reality engines for mobile platforms. First, a review of current graphics and AR...
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DOP and Pseudorange Error Estimation in Mobile GNSS Systems for Android OS Applications
PublikacjaIn the near past, GNSS (Global Navigation Satellite Systems) were only offered for a narrow group of recipients. Nowadays, thanks to mobile devices, they are available to anyone and everywhere. Personal navigation, searching for POI (Point of Interest), etc., had become a basic essential activity. Thanks to the widespread and availability of smartphones each user can obtain information considering his or her location even in an...
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Minimum inhibitory concentrations (MICs) determination of selected human topoisomerase II alpha and bacterial DNA gyrase inhibitors against fungal strains
Dane BadawczeThe datasets contain the results of determining the MIC (Minimal Inhibitory Concentration) value of known compounds* (inhibitors of human topoisomerase II alpha and bacterial DNA gyrase) against C. albicans SC5314, C. glabrata ATCC 90030, C. krusei ATCC 6258 and C. parapsilosis ATCC 22019 and Saccharomyces cerevisiae ATCC 9763 by the modified M27-A3...
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Novel isatin–indole derivatives as potential inhibitors of chorismate mutase (CM): their synthesis along with unexpected formation of 2-indolylmethylamino benzoate ester under Pd–Cu catalysis
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublikacjaThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...
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Front Cover: Chiral Molecular Cages Based on Cyclotriveratrylene and Sucrose Units Connected with p ‐Phenylene Linkers (Eur. J. Org. Chem. 6/2021)
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Mariusz Szkoda dr inż.
OsobyMariusz Szkoda urodził się w 1990 roku w Pieniężnie (woj. Warmińsko-Mazurskie), a II LO im. Feliksa Nowowiejskiego ukończył w Braniewie. Studia odbył w latach 2009–2014 na Wydziale Chemicznym Politechniki Gdańskiej (kierunek: Technologie ochrony środowiska, Złota Odznaka Absolwenta). Poza statusem doktoranta, mgr inż. Mariusz Szkoda od października 2017 r. jest także asystentem na Wydziale Chemicznym, a od 2014 roku współpracuje...
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Synthesis and biological activity of novel ester derivatives of N3-(4-metoxyfumaroyl)-(S)-2,3-diaminopropanoic acid containing amide and keto function as inhibitors of glucosamine-6-phosphate synthase
PublikacjaA short series of novel ester derivatives of N3-4-methoxyfumaroyl-(S)-2,3-diaminopropanoic acid (FMDP) containing amido or keto functions have been designed and synthesized. Their antifungal activity and inhibitory properties toward fungal glucosamine-6-phosphate synthase has also been evaluated. The obtained compounds 11-13 and 15-17 demonstrated good antifunga activity against Candida albicans. Compounds 11-13 displayed also...
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Ars: časopis Ústavu dejín umenia Slovenskej akadémie vied
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ORL-JOURNAL FOR OTO-RHINO-LARYNGOLOGY AND ITS RELATED SPECIALTIES
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Cu(II) complexes with peptides from FomA protein containing -His-Xaa-Yaa-Zaa-His and -His-His-motifs. ROS generation and DNA degradation
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Comparative study of a bottoming SRC and ORC for Joule–Brayton cycle cooling modular HTR exergy losses, fluid-flow machinery main dimensions, and partial loads
PublikacjaEnergy conversion efficiency increase in power plants with high-temperature gas-cooled reactors via implementation of the bottoming cycle was investigated under nominal and minimal thermal load of a high-temperature reactor (HTR). Heat transfer surface area and turbine outlet volumetric flow rate in bottoming cycles was also investigated. Water and two low-boiling point working fluids (ammonia and ethanol) were analyzed. Analyzed...
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Chemical, Aroma and Pro-Health Characteristics of Kaffir Lime Juice—The Approach Using Optimized HS-SPME-GC-TOFMS, MP-OES, 3D-FL and Physiochemical Analysis
PublikacjaThe study aimed to provide the chemical, aroma and prohealth characteristics of the kaffir lime juice. A procedure using solid-phase microextraction with gas chromatography (SPME-GC-TOFMS) was optimized and validated for the determination of terpenes of kaffir lime. Main physicochemical parameters: pH, vitamin C, citric acid and °Brix were evaluated. Micro- and macro elements were determined using microwave plasma optic emission...
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Dispersive Micro‐Solid Phase Extraction of Selected Metals in Water and Food Samples Followed by ICP‐OES Analysis: Method Development, Analysis of Real Samples and Greenness Evaluation
PublikacjaMultiwalled carbon nanotubes (MWCNTs) are well-known adsorbents because of their high surface area, layered and hollow architecture, hydrophobicity, and multiple and easily accessible adsorption sites. In this study, MWCNTs were used for dispersive micro-solid-phase extraction of various metal chelates in environmental and food samples. Different parameters such as concentration of the chelating reagent, the sorbent dosage, the...
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Ars Separatoria Acta
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ARS Mathematica Contemporanea
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Analysis of the Possibility of Using New Types of Protective Coatings and Abrasion-Resistant Linings under the Operating Conditions of the Spiral Classifier at KGHM Polska Miedź S.A. Ore Concentration Plant
PublikacjaA study was carried out to select the appropriate coatings for corrosion protection of the spiral classifier working at KGHM Polska Miedź S.A. Ore Concentration Plant. The abrasion resistance of selected protective coatings and wear-resistant linings was investigated using a DT-523 rotary abrasion tester with Taber CS-10 rubber abrasive discs. The average weight loss of the coatings after a cycle of 2000 revolutions was determined....
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Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols
PublikacjaCoumarin is a naturally occurring lactone-type benzopyrone with various applications in the pharmaceutical, food, perfume, and cosmetics industries. This hydrophobic compound is poorly soluble in water but dissolves well in protic organic solvents such as alcohols. Despite the extensive use of coumarin, there are only a few reports documenting its solubility in organic solvents, and some reported data are incongruent, which...
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Ars Hungarica: a Magyar Tudományos Akadémia Muvészettörténeti Kutató Csoportjának közleményei
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Chromatographic analysis of extracts isolated from different poplar species as potential inhibitors of enzymatic hydrolysis Analiza chromatograficzna substancji ekstrakcyjnych pozyskanych z różnych odmian topoli jako potencjalnych inhibitorów hydrolizy enzymatycznej
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Michał Ryms dr inż.
Osobydr inż. Michał Ryms, fizyk, absolwent Politechniki Gdańskiej. Pracę doktorską obronił na Wydziale Chemicznym. Od 2011 roku pracuje w Katedrze Aparatury i Maszynoznawstwa Chemicznego Politechniki Gdańskiej, obecnie na stanowisku adiunkta. Działalność naukowa obejmuje: zagadnienia związane z poprawą efektywności energetycznej oraz możliwości nowego zastosowania materiałów zmiennofazowych (PCM) głównie w budownictwie energooszczędnym...
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Physicochemical profile of Os (III) complexes with pyrazine derivatives: From solution behavior to DNA binding studies and biological assay
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublikacjaIn this study, the temperature-dependent solubility of nicotinamide (niacin) was measured in six neat solvents and five aqueous-organic binary mixtures (methanol, 1,4-dioxane, acetonitrile, DMSO and DMF). It was discovered that the selected set of organic solvents offer all sorts of solvent effects, including co-solvent, synergistic, and anti-solvent features, enabling flexible tuning of niacin solubility. In addition, differential...
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Hipogrifo-Revista de literatura y cultura del Siglo de Oro
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020). Focused on analysis of the Medicinal plants that have potential therapeutic ability against COVID-19.
Publikacja