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Wyniki wyszukiwania dla: COVID-19 MOLECULAR DOCKING MULTI-EPITOPES VACCINESMM-PBSA/MM-GBSA ANALYSIS SARS-COV-2 VARIANTS
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The circular chromatic index of some class 2 graphs
PublikacjaW artykule został wyznaczony cyrkularny indeks chromatyczny dla dwóch rodzin grafów klasy 2. Co więcej, podano nie trywialne oszacowania tego parametru dla snarków Isaacsa i Goldberga. Na koniec artykułu rozważana jest złożoność obliczeniowa problemów związanych z cyrkularnym kolorowaniem krawędzi.
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Effect of BMI on safety of bariatric surgery during the COVID-19 pandemic, procedure choice, and safety protocols – An analysis from the GENEVA Study
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Działania antykryzysowe w obszarze kultury w trakcie pandemii SARS-CoV-2. Stan obecny i wnioski de lege ferenda w zakresie zwiększenia partycypacji obywatelskiej oraz instytucjonalnej
PublikacjaCelem artykułu jest analiza różnych rozwiązań prawnych w zakresie wsparcia instytucji kultury w trakcie stanu epidemii. Przeprowadzono przegląd działań Ministerstwa Kultury i Dziedzictwa Narodowego wspierających instytucje kultury w Polsce w czasie epidemii według stanu na maj 2020 r. Na podstawie analizy wskazano wnioski de lege ferenda co do nowych możliwości finansowania działań takich instytucji. Autorzy prezentują rozwiązania...
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Reactions of R2P-P(SiMe3)2 with [(R'3P)2PtCl2]. Syntheses and Structures of [μ2-(1,2:2-η-P2){Pt(PEt3)2}2{Pt(PEt3)2Cl}]+Cl-, [{(Et2PhP)2Pt}2P2], [{(p-Tol3P)2Pt}2P2] and [(p-Tol3P)ClPt(μ-PPh2)2Pt(p-Tol3P)Cl]
PublikacjaReakcje difosfanów R2P-P(SiMe3)2 z [(R'3P)2PtCl2] są bardzo złożone. Główną ścieżką reakcji jest rozszczepienie wiązania P-P w startowym R2P-P(SiMe3)2, po czym następuje utworzenie kompleksu zawierającego P2: [{(R'3P)2Pt}2P2] oraz difosfanu R2P-PR2. Produkty reakcji (zarówno główne jak i uboczne), zostały scharakteryzowane na podstawie spektroskopii 31P NMR. Dla czterech tytułowych związków wykonano rentgenowską analizę strukturalną...
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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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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Lonely and thinking about the past: The role of time perspectives, Big Five traits and perceived social support in loneliness of young adults during COVID-19 social distancing
PublikacjaBackground In Spring 2020, due to the COVID-19 pandemic, the Polish government introduced a policy of social distancing. Being apart from one’s social network had the potential to evoke feelings of loneliness. The aim of the study was to find out how time perspectives might contribute to feeling lonely during the social distancing period, controlling for Big Five personality traits and perceived social support. Participants...
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Study on transmission quality in cellular 4G and 5G networks between 2019–2021: Impact of the COVID-19 pandemic on the level of provided services by operating base transceiver stations
PublikacjaThe COVID-19 pandemic has significantly limited user mobility, not least among students. Remote learning had a particular impact on resource allocation in relation to using terrestrial cellular networks, especially 4G systems in urban agglomerations. This paper presents the results of a quality evaluation of an outdoor environment, carried out between 2019 and 2021 on the campus of a technical university. Annual studies are conducted...
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The influence of variants of finishing machining on scheduling of shaft components manufacturing
PublikacjaIn the paper variants of technological processes were presented to the study for piston rods and rams of hydraulic cylinders taking issues into consideration scheduling of course of the production in flexible manufacturing cell. At the carried study an attempt of the estimation of the influence of technological variants on the effectiveness to manufacture the flexible manufacturing system on the basis of preliminary schedules of...
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Positron scattering on molecular hydrogen: Analysis of experimental and theoretical uncertainties
PublikacjaExperiments performed in recent years on positron scattering from molecular hydrogen indicated a rise of the total cross section in the limit of zero energy, but essentially disagree on the amplitude of this rise. Mitroy and collaborators [J.-Y. Zhang et al., Phys. Rev. Lett. 103, 223202 (2009)] predicted a scattering length somewhat different from values deduced experimentally. Using a Markov chain Monte Carlo modified effective...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Multi-Decision Analysis for selection of the best procedure for PAHs determination in smoked food.
PublikacjaMaking a proper decision in multifacitated situation is very challenging task. Especially, if there are many alternatives and criteria, even contradictory ones. The support tools may be application of MultiCriteria Decision Analysis methods. In this study the application of PROMETHEE...
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Better Late Than Never: Predictors of Delayed COVID-19 Vaccine Uptake in Poland
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COVID-19-Associated Pulmonary Aspergillosis in Intensive Care Unit Patients from Poland
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The COVID-19 pandemic in the Middle East and North Africa. Old demons in a new bottle
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COVID-19 in Patients with Atopic Dermatitis Treated with Dupilumab: Three Cases and a Literature Review
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Safety of Bariatric Surgery in ≥ 65-Year-Old Patients During the COVID-19 Pandemic
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Influence of COVID-19 Pandemic Lockdown on Patients from the Bariatric Surgery Waiting List
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Clinical Training during the COVID-19 Pandemic: Experiences of Nursing Students and Implications for Education
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Does Treatment of Sudden Sensorineural Hearing Loss in Patients With COVID-19 Require Anticoagulants?
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Machine Learning for Control Systems Security of Industrial Robots: a Post-covid-19 Overview
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Social support against depression in young adults’ group during COVID-19 pandemic.
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Vaccine versus infection – COVID-19-related loss of training time in elite athletes
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Mental health predictors of medical staff in the early stage of COVID-19 pandemic in Poland.
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Zmiany przestrzenne w miastach wywołane pandemią COVID-19 a przestrzenny wymiar rewitalizacji.
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Brain Fog and Quality of Life at Work in Non-Hospitalized Patients after COVID-19
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublikacjaThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Cell Wall Epitopes and Endoploidy as Reporters of Embryogenic Potential in Brachypodium Distachyon Callus Culture
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Comparative analysis of selected design variants of propulsion system for an inland waterways ship
PublikacjaW pracy zaprezentowano założenia projektowe i wstępną analizę porównawczą dwóch wariantów napędu śródlądowego statku pasażerskiego. Pierwsze rozwiązanie to wariant z przekładnią elektryczną, drugie natomiast, to wariant z przekładnią hydrostatyczną.
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Quechers sample preparation method variants for analysis of pesticide residues in fruits and vegetables
PublikacjaThis article describes the comparison of different versions of an easy, rapid and low-cost sample preparation approach for the determination of pesticide residues in fruits and vegetables by concurrent use of gas and liquid chromatography coupled to MS or ECD for detection. The sample preparation approach is known as QuEChERS, which stands for quick, easy, cheap, effective, rugged and safe. It is a combination of liquid-liquid...
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Pneumonia, gastrointestinal symptoms, comorbidities, and coinfections as factors related to a lengthier hospital stay in children with COVID-19—analysis of a paediatric part of Polish register SARSTer
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Characterization of Bioactivity of Selective Molecules in Fruit Wines by FTIR and NMR Spectroscopies, Fluorescence and Docking Calculations
PublikacjaFourier transform infrared (FTIR) and proton nuclear magnetic resonance (1H NMR) spectroscopies were applied to characterize and compare the chemical shifts in the polyphenols’ regions of some fruit wines. The obtained results showed that FTIR spectra (1800–900 cm−1) and 1H NMR (δ 6.5–9.3 ppm) of different fruit wines can be used as main indices of the year of vintage and quality of fruit wines. In addition to the classical determination...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublikacjaBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Algebraic periods of self-maps of a rational exterior space of rank 2
PublikacjaArtykuł stanowi kompletny opis okresów algebraicznych dla odwzorowań wymiernej przestrzeni zewnętrznej rangi 2 w siebie.
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The Impact of the COVID-19 Pandemic on Poles’ Nutritional and Health Behaviour and Quality of Life—A Pilot Study
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Associations of Nutritional Behavior and Gut Microbiota with the Risk of COVID-19 in Healthy Young Adults in Poland
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Impact of COVID-19 Pandemic Constraints on the Ecobiochemical Status of Cultivated Soils along Transportation Routes
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Assessment of Financial Security of SMEs Operating in the Renewable Energy Industry during COVID-19 Pandemic
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Abilities, Motivations, and Opportunities of Furloughed Employees in the Context of Covid-19: Preliminary Evidence From the UK
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Use of technology by people with dementia and informal carers during COVID‐19: A cross‐country comparison
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The use of technology by people with dementia and informal carers during COVID-19: a cross-country comparison
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Wpływ COVID-19 na skórę: objawy zakażenia, osutki polekowe oraz zapalenie kontaktowe
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Class of 2020 in Poland: Students’ Mental Health during the COVID-19 Outbreak in an Academic Setting
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Coping of Chronically-Ill Patients during the COVID-19 Pandemic: Comparison between Four Groups
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The COVID-19 outbreak and Google searches: Is it really the time to worry about global mental health?
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Novel psychopathological picture during the COVID-19 pandemic based on a first episode of psychotic depression.
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When to Resume Bariatric Surgery after COVID-19 Pandemic? – Results of Patients’ and Surgeons’ Survey.
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Impact of the COVID-19 Pandemic on the Patient’s Decision about Bariatric Surgery: Results of a National Survey
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When to resume bariatric surgery after COVID-19 pandemic?: results of patients’ and surgeons’ survey
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The ChoCO-W prospective observational global study: Does COVID-19 increase gangrenous cholecystitis?
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