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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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Herbal Resources in the medication of depression during pandemic COVID-19
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Multi-Stage Video Analysis Framework
PublikacjaThe chapter is organized as follows. Section 2 presents the general structure of the proposed framework and a method of data exchange between system elements. Section 3 is describing the low-level analysis modules for detection and tracking of moving objects. In Section 4 we present the object classification module. Sections 5 and 6 describe specialized modules for detection and recognition of faces and license plates, respectively....
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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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Hybridization of valuation procedures as a medicine supporting the real estate market and sustainable land use development during the covid-19 pandemic and afterwards
PublikacjaCurrently we are facing the pandemic situation that occur all over the world. Regardless the country or even the region, the negative consequences that are expected could be very big and the level of crisis is not predictable. This situation is the challenge for the real estate market as well. Due to this fact, the authors believe that there is the time when deep transformation of approaches, procedures and awareness related to...
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(2-Ethylimidazole-κN)bis(tri-tert-butoxysilanethiolato-κ2O,S)zinc(II) propan-2-ol solvate
PublikacjaW publikowanym związku [Zn(C12H27O3SSi)2(C5H8N2)]*C3H8O, atom Zn(II) jest koordynowany przez atom azotu 2-etyloimidazolu, dwa atomy siarki i dwa atomy tlenu pochodzące od reszt tri-tert-butoksysilanotiolanowych, a geometria na atomie cynku(II) jest typu trygonalnej bipiramidy. Grupa hydroksylowa cząsteczki rozpuszczalnika 2-propanolu tworzy dwa wiązania wodorowe typu N-H - O i O-H - S z sąsiednią czasteczkĄ kompleksu, przez co...
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Preliminary analysis of proposed ship docking systems for a designed floating dock
PublikacjaW artykule przedstawiono alternatywne koncepcje, wraz z ich analizą porównawczą, urządzeń dokujących statek na doku pływającym. Dok ten projektowany był na Wydziale Oceanotechniki i Okrętownictwa Politechniki Gdańskiej w ramach projektu ECOLOGICAL DOCK E!2968. Zaprezentowane rozwiązania różnią się głównie rodzajem zastosowanych w nich urządzeń: w pierwszym przypadku są to przewijarki i wózki dokujące, zaś w drugim - wciągarki...
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Burden of COVID-19 Pandemic Perceived by Polish Patients with Multiple Sclerosis
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In Reference to Voice, Swallow and Airway Outcomes Following Tracheostomy for COVID-19
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The Impact of COVID-19 on Road Freight Transport Evidence from Poland
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Problems of functioning of the insurance services market in the conditions of COVID-19 distribution
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Course of fatigue among patients previously hospitalised due to COVID-19
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Fatigue after COVID‐19 in non‐hospitalized patients according to sex
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THE SPIRITUAL BELIEF TO PROTECT FROM COVID-19: THE CASE STUDY OF INDIA
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Tocilizumab Improves the Prognosis of COVID-19 in Patients with High IL-6
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Tocilizumab Improves the Prognosis of COVID-19 in Patients with High IL-6
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New challenges in palliative care in Poland during the COVID-19 pandemic
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Global Prevalence and Drivers of Dental Students’ COVID-19 Vaccine Hesitancy
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Angular cheilitis of COVID‐19 patients: A case‐series and literature review
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THE COVID-19 DISEASE AND POLICY RESPONSE TO MITIGATE THE ECONOMIC IMPACT IN THE EU
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Telehealth and Artificial Intelligence Insights into Healthcare during the COVID-19 Pandemic
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Medical Students' Voluntary Service During the COVID-19 Pandemic in Poland
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Neurological symptoms in hospitalised patients with COVID-19 and their association with in-hospital mortality
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Bis(2-methylquinolinium) tetrachloroferrate(III) chloride
PublikacjaW krysztale współkrystalizują tetrachlorożelazian i chlorek 2-metylochinoliny. Anion tetrachlorożelazianowy wykazuje nieuporządkowanie. W strukturze występują wiązania wodorowe N-H...Cl oraz oddziaływania Fe-Cl...π oraz π...π.
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Public Finance in Poland in a COVID Fog: A Look Through the Lens of Fiscal Transparency and Accountability
PublikacjaAbstract. Goal– The aim of the article is to identify dysfunctional phenomena (implementation of specific mechanisms/solutions and actions taken), generating increased opacity and limit the responsibility/accountability of public f inance in Poland, exacerbated by the COVID-19 crisis. Methods– descriptive analysis, comparative analysis and financial analysis methods were used. Results– fiscal transparency and accountability in...
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Analysis of pedestrian activity before and during COVID-19 lockdown, using webcam time-lapse from Cracow and machine learning
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Novel 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives as potent anticancer agents – Synthesis, molecular structure, QSAR studies and metabolic stability
PublikacjaA series of new 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives have been synthesized and evaluated in vitro by MTT assays for their antiproliferative activity against cell lines of colon cancer HCT-116, cervical cancer HeLa and breast cancer MCF-7. The obtained results indicated that these compounds display prominent cytotoxic effect. The best anticancer properties have been observed for derivatives...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Lifestyle Changes among Polish University Students during the COVID-19 Pandemic
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Lung Protection by Cathepsin C Inhibition: A New Hope for COVID-19 and ARDS?
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Coping Styles, Mental Health, and the COVID-19 Quarantine: A Nationwide Survey in Poland
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Project and Prototype of Mobile Application for Monitoring the Global COVID-19 Epidemiological Situation
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Efficiency rating of SG Diagnostics COVID-19 antigen rapid test kit
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Antenatal Classes in the Context of Prenatal Anxiety and Depression during the COVID-19 Pandemic
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Corporate social responsibility (CSR) and sustainable development during the Covid-19 pandemic
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Implication of nanotechnology to reduce the environmental risks of waste associated with the COVID-19 pandemic
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Depression among young adults – risks and protective factors in the COVID-19 pandemic
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Evaluation of the BNT162b2 Covid-19 Vaccine in Children 5 to 11 Years of Age
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Home during quarantine: living space weaknesses revealed by COVID-19 pandemic
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Surfactant replacement therapy as promising treatment for COVID-19: an updated narrative review
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State security and patriotism vs the implementation of obligations and prohibitions related to covid-19
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Unmasking the COVID-19 pandemic prevention gains: excess mortality reversal in 2022
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Postawy głównych wspólnot protestanckich w Polsce wobec epidemii COVID-19
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The Perception and Attitudes toward COVID-19 Vaccines: A Cross-Sectional Study in Poland
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Technology Acceptance of MS Teams Among University Teachers During COVID-19
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Mechatronic approach to the design of 2-wheel mobile platform
PublikacjaW pracy przedstawiono podejście mechatroniczne do projektowania 2-kołowego robota mobilnego przeznaczonego do testowania algorytmu nadzorowania za pomocą sterowania optymalnego przy energetycznym wskaźniku jakości. Badany robot jest skrępowany więzami nieholonomicznymi. Model matematyczny 2-kołowej platformy mobilnej jest opisany za pomocą skończonej liczby nieliniowych równań różniczkowych.
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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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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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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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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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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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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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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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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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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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COVID-19 in Patients with Atopic Dermatitis Treated with Dupilumab: Three Cases and a Literature Review
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COVID-19-Associated Pulmonary Aspergillosis in Intensive Care Unit Patients from Poland
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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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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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The COVID-19 pandemic in the Middle East and North Africa. Old demons in a new bottle
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Better Late Than Never: Predictors of Delayed COVID-19 Vaccine Uptake in Poland
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Machine Learning for Control Systems Security of Industrial Robots: a Post-covid-19 Overview
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Brain Fog and Quality of Life at Work in Non-Hospitalized Patients after COVID-19
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Zmiany przestrzenne w miastach wywołane pandemią COVID-19 a przestrzenny wymiar rewitalizacji.
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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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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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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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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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The case of fatal acute hemorrhagic necrotizing encephalitis in a two-month-old boy with Covid-19.
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Sex-related patient-reported brain fog symptoms in non-hospitalised COVID-19 patients
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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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Abilities, Motivations, and Opportunities of Furloughed Employees in the Context of Covid-19: Preliminary Evidence From the UK
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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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Small-lot Production with Additive Production Using Reverse Logistics and IT Solutions in COVID-19 Era
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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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Analysis of bandwidth reservation algorithms in HIPERLAN/2.
PublikacjaZaprezentowano metody alokacji zasobów (pasma) w systemie HIPERLAN/2. Przedyskutowano efektywność funkcjonowania typowych algorytmów pracy podwarstwy MAC oraz zaproponowano modyfikację jednego z algorytmów, polegającą na wstępnej rezerwacji pasma i okresowym uaktualnianiu przydziału zasobów. Dokonano weryfikacji symulacyjnej zaproponowanych rozwiązań.
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An analysis of wind conditions at pedestrian level in the selected types of multi-family housing developments
PublikacjaThe following article addresses the issue of wind conditions around urban building development at pedestrian level. Factors that depend on those issues include wind comfort and air quality within urbanized spaces. The conditions specific of cities located in a temperate climate zone have been taken into account. The article is intended to identify aerodynamic phenomena characteristic of the three basic types of multi-family building...