Search results for: SAR
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Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2
PublicationWe combine molecular dynamics, statistical mechanics, and hybrid quantum mechanics/molecular mechanics simulations to describe mechanistically the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp). Our study analyzes the binding mode of both natural triphosphate substrates as well as remdesivir triphosphate (the active form of drug), which is bound preferentially over ATP by RdRp while...
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Awaryjne przekształcenia architektury szpitali w warunkach pandemii SARS-CoV-2
PublicationBudynki szpitalne zwyczajowo projektowane są z uwzględnieniem standardowego obłożenia usługami medycznymi. Wystąpienie zdarzenia masowego, takiego jak katastrofa naturalna, konflikt militarny czy epidemia sprawia, że liczba osób wymagających hospitalizacji gwałtownie wzrasta, przekraczając możliwości działania szpitali w sposób prawidłowy. Analiza historii pandemii SARS-CoV-2 wykazuje, że większość systemów ochrony zdrowia nie...
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Impact of temperature on optical sensing in biology based on investigation of SARS‐CoV ‐2
PublicationIn this paper, we present an investigation of the influence of the temperature on the sensing of biological samples. We used biofunctionalized microsphere-based fiber-optic sensor to detect immunoglobulin G attached to the sensor head at temperatures relevant in biological research: 5°C, 25°C, and 55°C. The construction of the sensor allowed us to perform measurements in the small amount of solution. The results of our experiment...
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Machine-aided detection of SARS-CoV-2 from complete blood count
PublicationThe current gold standard for SARS-CoV-2 detection methods lacks the functionality to perform population screening. Complete blood count (CBC) tests are a cost-effective way to reach a wide range of people – e.g. according to the data of the Central Statistical Office of Poland from 2016, there are 3,000 blood diagnostic laboratories in Poland, and 46% of Polish people have at least one CBC test per year. In our work, we show...
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Development of a solventless stir bar sorptive extraction/thermal desorption large volume injection capillary gas chromatographic-mass spectrometric method for ultra-trace determination of pyrethroids pesticides in river and tap water samples
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Liquid Crystals in Analytical Chemistry: A Review
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Modern Sample Preparation Techniques: A Brief Introduction
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Clinical and Epidemiological Characteristics of 1283 Pediatric Patients with Coronavirus Disease 2019 during the First and Second Waves of the Pandemic—Results of the Pediatric Part of a Multicenter Polish Register SARSTer
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Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach
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Theoretical Investigation of the Coronavirus SARS-CoV-2 (COVID-19) Infection Mechanism and Selectivity
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Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike Protein
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In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2
PublicationThe 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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Hard tissue samples as markers of occupational exposure in phosphatic fertilizer plant
PublicationW pracy opisano zastosowanie próbek włosów i paznokci do oceny narażenia pracowników zakładów nawozów fosforowych na zanieczyszczenie metalami ciężkimi. Jako metodę oznaczania 25 pierwiastków we włosach i paznokciach zastosowano aktywacje neutronową. Do opracowania wyników i ich oceny zastosowano szereg metod chemometrycznych.
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Computational studies of intermolecular interactions in aqueous solutions of poly(vinylmethylether)
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Diffusive properties of solvent molecules in the neighborhood of a polymer chain as seen by Monte-Carlo simulations
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A Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for the oxidation of 1-phenylethanol and unusual magnetic properties
PublicationMononuclear and polymeric complexes of zinc(II) and copper(II) have been synthesized using two isomers of the hemi-salen ligand with a different mutual orientation of donor atoms. The heterometallic Cu/Zn metallocycle features a catalytic niche filled with the molecule of water and molecules of methanol. This unusual compound exhibits both pronounced catalytic activity in the reaction of oxidation of a secondary alcohol to ketone...
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Nutritional behaviors of women and men in Poland during confinement related to the SARS-CoV-2 epidemic
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Nutritional Behaviors of Women and Men in Poland During Confinement Related to the SARS-CoV-2 Epidemic
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Psychopathological Symptoms Among Chronically Ill Patients During SARS-CoV-2 Pandemic in Poland
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SARS-CoV-2 pandemic and the population with dementia. Recommendations under the auspices of the Polish Psychiatric Association
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Virtual screening for small molecular non-covalent binders of the SARS-CoV-2 main protease
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THE PROTECTIVE MEASURES AGAINST SARS-COV-2 INFECTION IN THE SEAFOOD COMPANY FROM THE PERSPECTIVE OF THE EMPLOYEES
PublicationPurpose: To identify and discuss the protective measures implemented to prevent SARS-CoV-2 infection among employees. Design/methodology/approach: The four-stage course of research. Case study and structured interviews with all employees, directly and indirectly, involved in food processing. Research questions: (R1) What measures have been taken to prevent the risk of infection among employees? (R2) What activities and responsibilities...
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Saratov Journal of Medical Scientific Research [ Саратовский научно-медицинский журнал ]
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Chinifur, a Selective Inhibitor and "Subversive Substrate" for Trypanosoma congolense Trypanothione Reductase
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Sarcoidosis - Female, 50 - Tissue image [6200730021587011]
Open Research DataThis is the histopathological image of LYMPH NODES tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Sarcoidosis - Female, 50 - Tissue image [6200730021584131]
Open Research DataThis is the histopathological image of LYMPH NODES tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Mental Health Impact of SARS-COV-2 Pandemic on Long-Term Care Facility Personnel in Poland
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t-SNE Highlights Phylogenetic and Temporal Patterns of SARS-CoV-2 Spike and Nucleocapsid Protein Evolution
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In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2
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Changes in Eating Behaviour during SARS-CoV-2 Pandemic among the Inhabitants of Five European Countries
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
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t-SNE Highlights Phylogenetic and Temporal Patterns of SARS-CoV-2 Spike and Nucleocapsid Protein Evolution
PublicationWe propose applying t-distributed stochastic neighbor embedding to protein sequences of SARS-CoV-2 to construct, visualize and study the evolutionary space of the coronavirus. The basic idea is to explore the COVID-19 evolution space by using modern manifold learning techniques applied to evolutionary distances between variants. Evolutionary distances have been calculated based on the structures of the nucleocapsid and spike proteins.
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Low-volume label-free SARS-CoV-2 detection with the microcavity-based optical fiber sensor
PublicationAccurate and fast detection of viruses is crucial for controlling outbreaks of many diseases; therefore, to date, numerous sensing systems for their detection have been studied. On top of the performance of these sensing systems, the availability of biorecognition elements specific to especially the new etiological agents is an additional fundamental challenge. Therefore, besides high sensitivity and selectivity, such advantages...
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublicationAn important stage in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) life cycle is the binding of the spike (S) protein to the angiotensin converting enzyme-2 (ACE2) host cell receptor. Therefore, to explore conserved features in spike protein dynamics and to identify potentially novel regions for drugging, we measured spike protein variability derived from 791 viral genomes and studied its properties by molecular...
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Electrochemical studies of two-sites layered electrocatalysts for ammonia electrooxidation
Open Research DataThe dataset contains CV, LSV and ECSa results performed for single metal layered α-Ni(OH)2, β-Ni(OH)2 or double metal layered NiCu hydroxides hydrothermally deposited on nickel foam.
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Determination of nicotine in saliva, urine and wastewater samples using tantalum metal organic framework pipette tip micro-solid phase extraction
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Highly Sensitive Determination of Bisphenol A in Bottled Water Samples by HPLC after Its Extraction by a Novel Th-MOF Pipette-Tip Micro-SPE
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DISPERSIVE LIQUID-LIQUID MICROEXTRACTION COUPLED WITH MICRO-VOLUME SPECTROPHOTOMETRY FOR DETERMINATION OF TOTAL IODINE IN URINE SAMPLES
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Recent advances on magnetic carbon-related materials in advanced oxidation processes of emerging pollutants degradation
PublicationRecently, carbon-related materials have been proposed to improve the charge separation of the photogenerated carriers in the semiconductor matrices’ and surface properties. Carbon-related materials may act as co-catalysts, enhancing the pollutants adsorption on the surface, improving the charge carriers separation and photocatalyst stability and providing more active centres for photocatalytic reactions. This review summarizes...
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AeroSense Measurements: Wind Tunnel Ecole Centrale Lyon
Open Research DataData from wind tunnel tests of Aerosesne measurement system installed on NACA 63418 aerfoil in the anechoic wind tunnel at the Ecole Centrale Lyon.
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Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
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Multivalent Display of SARS-CoV-2 Spike (RBD Domain) of COVID-19 to Nanomaterial, Protein Ferritin Nanocages
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Structural and Evolutionary Analysis Indicate that the SARS-CoV-2 Mpro is an Inconvenient Target for Small-Molecule Inhibitors Design
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Impact of the SARS-CoV-2 pandemic on emergency surgery services—a multi-national survey among WSES members
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Mercury fractionation in marine macrofauna using thermodesorption technique: Method and its application
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Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
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Metal–Organic Frameworks in Green Analytical Chemistry
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Metal-Organic Frameworks in Green Analytical Chemistry
PublicationTaking into consideration the rapid expansion of MOFs applications in the analytical chemistry area, it is important to evaluate the existing and future analytical MOF-based methods according to GAC principles. From this point of view, eco-friendly MOFs-based methods should include features such as: green design and synthesis of MOF, evaluation of toxicity issues of MOFs, and incorporation of MOFs in GAC methods. This Chapter will...
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Fuzzy soft modeling of environmental data. A study of the impact of a Phosphatic Fertilizer Plant on the adjacent environment in Gdańsk
PublicationAnaliza podobieństwa obejmuje nie tylko zastosowanie logiki rozmytej, ale również wiele innych podejść matematycznych. Opracowano wiele algorytmów, których celem jest wyodrębnienie wyraźnych skupień (hard clusters) z danego zbioru danych. Prawdopodobnie najczęściej stosowanymi algorytmami są tzw. algorytmy c-średnie (c-means algorithms). Twarde c-średnie (hard c-means) służy do ostrej klasyfikacji, podczas której obiekt jest przypisany...
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A comparative study of the performance of passive samplers
PublicationPodstawowym celem podjętych badań było porównanie pracy dozymetrów pasywnych wykorzystywanych na etapie izolacji i wzbogacania lotnych związków organicznych z powietrza atmosferycznego na terenie aglomeracji Trójmiejskiej. Jako próbniki do pobierania próbek analitów zastosowano komercyjne dozymetry pasywne typu dyfuzyjnego (Radiello i Orsa 5) oraz dozymetry typu permeacyjnego własnej konstrukcji wyposażone w półprzepuszczalną membranę...