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Search results for: COVID-19 MOLECULAR DOCKING MULTI-EPITOPES VACCINESMM-PBSA/MM-GBSA ANALYSIS SARS-COV-2 VARIANTS
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Virtualization of Poles’ buying behavior duringthe COVID-19 pandemic
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COVID-19 Vaccinations and the Volatility of Energy Companies in International Markets
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Neuroinflammation in Dementia—Therapeutic Directions in a COVID-19 Pandemic Setting
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Tracheotomy in the age of the COVID-19 pandemic: up-to-date review
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Shared Decision-making and Stakeholder Engagement in COVID-19 Tracheostomy
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Oral ulcers of COVID-19 patients: a scoping review protocol
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Military Food Supply Chain during the COVID-19 Pandemic
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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
PublicationA 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
PublicationCurrently 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
PublicationW 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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Bis(2-methylquinolinium) tetrachloroferrate(III) chloride
PublicationW 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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Preliminary analysis of proposed ship docking systems for a designed floating dock
PublicationW 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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THE SPIRITUAL BELIEF TO PROTECT FROM COVID-19: THE CASE STUDY OF INDIA
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COVID-19: Is There Evidence for the Use of Herbal Medicines as Adjuvant Symptomatic Therapy?
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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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Oral adverse events following COVID-19 and influenza vaccination in Australia
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FINANCIAL RESILIENCE TO THE COVID-19 PANDEMIC: THE ROLE OF BANKING MARKET STRUCTURE
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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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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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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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Comparative study of numerical modelling and experimental investigation for vessel-docking operations
PublicationA comparative study between numerical modelling and experimental investigation is performed to validate the developed numerical method for simulating floating dock operations with a vessel on board. Both model-scale and full-scale experimental tests are performed on floating docks with a vessel on board, and the draughts using draught meters, floating positions and bending of the floating dock are measured. The present numerical...
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublicationWe 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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Public Finance in Poland in a COVID Fog: A Look Through the Lens of Fiscal Transparency and Accountability
PublicationAbstract. 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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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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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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Novel 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives as potent anticancer agents – Synthesis, molecular structure, QSAR studies and metabolic stability
PublicationA 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
PublicationWe 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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Mechatronic approach to the design of 2-wheel mobile platform
PublicationW 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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The circular chromatic index of some class 2 graphs
PublicationW 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
PublicationCelem 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]
PublicationReakcje 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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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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Technology Acceptance of MS Teams Among University Teachers During COVID-19
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Corporate social responsibility (CSR) and sustainable development during the Covid-19 pandemic
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Anxiety, Stress Perception, and Coping Strategies among Students with COVID-19 Exposure
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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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