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Search results for: PROTON AFFINITY
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Enhanced susceptibility of SARS-CoV-2 spike RBD protein assay targeted by cellular receptors ACE2 and CD147: Multivariate data analysis of multisine impedimetric response
PublicationSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) enters the cells through the binding of spike protein to the host cell surface-expressing angiotensin-converting enzyme 2 (ACE2) or by endocytosis mediated by extracellular matrix metalloproteinase inducer (CD147). We present extended statistical studies of the multisine dynamic electrochemical impedance spectroscopy (DEIS) revealing interactions between Spike RBD and...
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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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A model of fuel combustion process in the marine reciprocating engine work space taking into account load and wear of crankshaft-piston assembly and the theory of semi-Markov processes
PublicationThe ar ticle analyses the operation of reciprocal internal combu stion engines, with mar ine engines u sed a s an example. The analysis takes into account types of energy conversion in the work spaces (cylinders) of these engines, loads of their crankshaft-piston assemblies, and types of fuel combustion which can take place in these spaces during engine operation. It is highlighted that the analysed time-dependent loads of marine...
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Terrestrial Survey Images - 3D Exterior Model - Zukowo Church - Canon
Open Research DataDataset description: Raw images from photogrammetric survey. Object: Parafia Wniebowzięcia Najświętszej Maryi Panny w ŻukowieLocation: Żukowo, Pomorskie, Kartuski County, PolandDrone type: n/a (Teresstrial images)Flight plan: CircleTarget Product: 3D ModelDate: 21.04.2018Direct georeferencing: yesMetadata data: NoGCP: NoCamera Name: Canon EOS 500DModel...
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Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
PublicationChitosan–collagen blends have been widely applied in tissue engineering, joints diseases treatment, and many other biomedical fields. Understanding the affinity between chitosan and collagen type II is particularly relevant in the context of mechanical properties modulation, which is closely associated with designing biomaterials suitable for cartilage and synovial fluid regeneration. However, many structural features influence...
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Opposite pressure impact on electron-phonon coupling in Eu2+ and Ce3+ doped AlN
Open Research DataThis data analyzes the influence of pressure on electron–lattice interactions in the 5d excited states of Ce3+ and Eu2+ in the AlN host based on pressure-dependent photoluminescence and photoluminescence excitation spectra. High-pressure measurements on AlN samples doped with Eu2+ and Ce3+ ions reveal that the Stokes shift increases with pressure for...
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Revista da Faculdade de Letras - Ciências e Técnicas do Património (Porto)
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High-temperature properties of titanium-substituted yttrium niobate
Publicationhe defect fluorite titanium-doped yttrium niobate samples Y3Nb1−xTixO7−δ have been synthesized and investigated by the means of high-temperature X-ray diffraction, dilatometry, and thermogravimetry. Thermal expansion coefficients (TECs) as well as chemical expansion coefficients for material with 5, 10, and 15 mol% of titanium were determined. All investigated samples exhibit chemical contraction caused by Ti doping. The values...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
PublicationThe genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel...
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One-pot synthesis of core/shell Co@C spheres by catalytic carbonization of mixed plastics and their application in the photo-degradation of Congo red
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Striking influence of Fe2O3 on the “catalytic carbonization” of chlorinated poly(vinyl chloride) into carbon microspheres with high performance in the photo-degradation of Congo red
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Application of neural networks for identification of forcedness having effect on magnitude of turbine rotor vibration using pressure distribution in blade tip clearance.
PublicationW pracy sprawdzono, czy zastosowanie sieci neuronowych umożliwia identyfikację wymuszeń powstających w wyniku funkcjonowania maszyny jak i zależnych od jej stanu mechanicznego przy zastosowaniu rozkładu ciśnienia w uszczelnieniu nadbandażowym. Przeprowadzono pomiary rozkładu ciśnienia dla różnych warunków pracy, uwzględniając zmianę mimośrodu oraz zmianę skośnego ustawienia osi wirnika względem osi korpusu. Dokonano analiz przy...
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3D calculations of aerodynamic forces causing self-excited vibrations of turbine rotor systems. Part I: Shroud seal flow inwestigations
PublicationOpisano numeryczną i doświadczalną metodę badania przepływu w uszczelnieniu nadbandażowym stopnia turbinowego. Badania numeryczne przeprowadzono programem Fluent, a badania doświadczalne wykonano na powietrznej turbinie modelowej. Uwzględniono niesymetryczny rozkład szczeliny nadbandażowej na skuteknie centrycznego położenia osi wirnika względem osi cylindra. Zamieszczono przykładowe wyniki.
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A BODIPY‐Based Molecular Rotor in Giant Unilamellar Vesicles: A Case Study by Polarization‐Resolved Time‐Resolved Emission and Transient Absorption Spectroscopy
PublicationBODIPY and BODIPY-derived systems are widely applied as fluorophores and as probes for viscosity detection in solvents and biological media. Their orientational and rotational dynamics in biological media are thus of vital mechanistic importance and extensively investigated. In this contribution, polarization-resolved confocal microscopy is used to determine the orientation of an amphiphilic BODIPY-cholesterol derivative in homogeneous...
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How acidic amino acid residues facilitate DNA target site selection
PublicationDespite the negative charge of the DNA backbone, acidic residues (Asp/Glu) commonly participate in the base readout, with a strong preference for cytosine. In fact, in the solved DNA/protein structures, cytosine is recognized almost exclusively by Asp/Glu through a direct hydrogen bond, while at the same time, adenine, regardless of its amino group, shows no propensity for Asp/Glu. Here, we analyzed the contribution of Asp/Glu...
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Borrelia burgdorferi BmpA-BBK32 and BmpA-BBA64: New Recombinant Chimeric Proteins with Potential Diagnostic Value
PublicationCurrently, the diagnosis of Lyme disease is based mostly on two-tiered serologic testing. In the new generation of immunoenzymatic assays, antigens comprise whole-cell lysates of members of the Borrelia burgdorferi sensu lato (s.l.) species complex, with the addition of selected recombinant proteins. Due to the high diversity of members of the B. burgdorferi s.l. genospecies and the low degree of conservation among the amino acid...
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Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology
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Fatty Acid-Binding Protein 7 (FABP-7), Glutamic Acid and Neurofilament Light Chain (NFL) as Potential Markers of Neurodegenerative Disorders in Psoriatic Patients—A Pilot Study
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Effect of Manual Therapy Compared to Ibuprofen on Primary Dysmenorrhea in Young Women—Concentration Assessment of C-Reactive Protein, Vascular Endothelial Growth Factor, Prostaglandins and Sex Hormones
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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Identification of X-DING-CD4, a new member of human DING protein family that is secreted by HIV-1 resistant CD4+ T cells and has anti-viral activity
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Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation
PublicationThe 21st century has already brought us a plethora of new threats related to viruses that emerge in humans after zoonotic transmission or drastically change their geographic distribution or prevalence. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was first spotted at the end of 2019 to rapidly spread in southwest Asia and later cause a global pandemic, which paralyzes the world since then. We have designed novel...
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POSSIBILITY OF ASSESSMENT OF OPERATION OF SLIDING BEARINGS IN PISTON-CRANK MECHANISMS OF DIESEL ENGINES WITH REGARD TO LOAD AND TIME OF CORRECT WORK OF THE BEARINGS BY APPLYING ACOUSTIC EMISSION AS A DIAGNOSTIC SIGNAL
PublicationAbstract: The paper presents a possibility of determining (assessing) operation of sliding bearings with multilayer bushings in crank-piston mechanisms of diesel engines. Properties of load and wear, particularly fatigue and abrasive, are characterized in general. Acoustic emission as a diagnostic signal was proved to be useful for detection of the wear of sliding and barrier layers. Results of measurements of acoustic emission...
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Adam Macierzanka dr hab. inż.
People2015-presentHead of Department, Associate ProfessorDepartment of Colloid and Lipid Science, Faculty of Chemistry, Gdansk University of Technology, Gdansk, Poland 2019-2020Visiting Professor, Food Science and NutritionRiddet Institute, Massey University, Palmerston North, New Zealand 2014-2015Research LeaderColloid Science, Food & Health Research ProgrammeInstitute of Food Research, Norwich, United Kingdom 2012-2014Full Professor,...
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Adolfo Poma
PeopleI am the group leader of the computational modelling of biomolecules divison at the institute of Fundamental Technological Research Polish Academy of Sciences in Poland. My group was hosted between 2021-2022 by International Centre for Research on Innovative Bio-based Materials (ICRI-BioM). In 2008, I got a Master degree in computational physics from the State University of Campinas, Brazil. Then I moved to Germany and under the...
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Anna Brillowska-Dąbrowska dr hab. inż.
PeopleAnna Brillowska-Dąbrowska, born in 1971 in Gdańsk, Poland, graduated in 1996 in Biotechnology from the Faculty of Chemistry, Gdańsk University of Technology (GUT). In 2001 she got her PhD, in 2013 became a DSc (habilitation). She was employed in 2004 as a researcher in Statens Serum Institut in Denmark. Currently she is an Associate Professor (adiunkt) in the Department of Molecular Biotechnology and Microbiology and Vice-dean...
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Karolina Prokop-Strzelczyńska mgr inż.
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Structural Properties and Water Uptake of SrTi1−xFexO3−x/2−δ
PublicationIn this work, Fe-doped strontium titanate SrTi1−xFexO3−x/2−δ, for x = 0–1 (STFx), has been fabricated and studied. The structure and microstructure analysis showed that the Fe amount in SrTi1−xFexO3−x/2−δ has a great influence on the lattice parameter and microstructure, including the porosity and grain size. Oxygen nonstoichiometry studies performed by thermogravimetry at different atmospheres showed that the Fe-rich compositions...
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Andrzej Składanowski prof. dr hab. inż.
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Optimization of Chemical Functionalities of Indole-2-carboxamides To Improve Allosteric Parameters for the Cannabinoid Receptor 1 (CB1)
Publication5-Chloro-3-ethyl-N-(4-(piperidin-1-yl)phenethyl)-1H-indole-2-carboxamide (1; ORG27569) is a prototypical allosteric modulator for the cannabinoid type 1 receptor (CB1). Here, we reveal key structural requirements of indole-2-carboxamides for allosteric modulation of CB1: a critical chain length at the C3-position, an electron withdrawing group at the C5-position, the length of the linker between the amide bond and the phenyl ring...
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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
PublicationPancreatic 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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A competition between two- and three-body dissociation channels in photo-double-ionization of tetrahydro-2H-pyran and 3,4-dihydro-2H-pyran molecules
PublicationVarious molecules possess structures consisting of the heterocyclic rings containing oxygen atoms. These substances often play a significant role in many different fields of chemistry, medicine, and biology. Due to a specific atomic composition and bond arrangement, many of these molecules retain unique electronic properties, which may be probed by diverse spectroscopic techniques, including those utilizing synchrotron radiation....
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Structural, functional, and stability change predictions in human telomerase upon specific point mutations,
PublicationOverexpression of telomerase is one of the hallmarks of human cancer. Telomerase is important for maintaining the integrity of the ends of chromosomes, which are called telomeres. A growing number of human disease syndromes are associated with organ failure caused by mutations in telomerase (hTERT or hTR). Mutations in telomerase lead to telomere shortening by decreasing the stability of the telomerase complex, reducing its accumulation,...
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The occurrence of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) in the chosen area of Svalbard
PublicationIn the recent years, scientists have been paying more attention to the impact of compounds of anthropogenic origin on the environment. Polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) are both groups of stable organic compounds, difficult to biodegrade, and potentially toxic. Because of their affinity to lipids, they can accumulate in fat tissue and exert influence on animal health. This paper present...
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Short-term Cultivation of Porcine Cumulus Cells Influences the Cyclin-dependent Kinase 4 (Cdk4) and Connexin 43 (Cx43) Protein Expression—A Real-time Cell Proliferation Approach
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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The activity of latent benzoperimidine esters to inhibit P-glycoprotein and multidrug resistance-associated protein 1 dependent efflux of pirarubicin from several lines of multidrug resistant tumor cells.
PublicationZaprezentowano wyniki badań biologicznych przeprowadzonych dla nowej grupy związków: estrów benzoperymidyny z zastosowaniem wybranych linii komórek nowotworowych: wrażliwych i opornych o oporności P-gp-zależnej, MRP1-zależnej i o oporności związanej z nadekspresją białek MRP1/LRP. Metodą spektrofluorymetryczną zbadano zdolność estrów benzoperymidyny do hamowania eksportu aktywnego pirarubicyny z komórek opornych. Estry benzoperymidyny...
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Spawalność ferrytyczno-austenitycznej stali odpornej na korozję typu dupleks 2205 w warunkach podwodnych
PublicationPraca dotyczy problemów spawalności stali odpornej na korozję typu dupleks w warunkach spawania mokrego elektrodami otulonymi i lokalną komorą suchą. Całość rozprawy składa się z dwóch części. Część pierwsza to przegląd literatury, w którym omówiono główne problemy wynikające z przeniesienia procesu spawania pod wodę oraz sposoby minimalizowania negatywnego wpływu środowiska. Część druga jest częścią doświadczalną, zawiera tezę...
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Revista da faculdade de letras da Universidade de Porto. Línguas e literaturas
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Gold nanoparticles for cancer radiotherapy: a review
PublicationRadiotherapy is currently used in around 50% of cancer treatments and relies on the deposition of energy directly into tumour tissue. Although it is generally effective, some of the deposited energy can adversely affect healthy tissue outside the tumour volume, especially in the case of photon radiation (gamma and X-rays). Improved radiotherapy outcomes can be achieved by employing ion beams due to the characteristic energy deposition...
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Quantum mechanical which-way experiment with an internal degree of freedom
PublicationFor a particle travelling through an interferometer, the trade-off between the available which-way information and the interference visibility provides a lucid manifestation of the quantum mechanical wave-particle duality. Here we analyse this relation for a particle possessing an internal degree of freedom such as spin. We quantify the trade-off with a general inequality that paints an unexpectedly intricate picture of wave-particle...
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublicationThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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How do sterols determine the antufungal activitiy of amphotericin B? Free energy of binding between the drug and its membrane targets.
PublicationAmphotericin B (AmB) is a well-known polyene antibiotic used to treat systemic fungal infections. It is commonly accepted that the presence of sterols in the membrane is essential for the AmB biological activity, that is, for the formation of transmembrane ion channels. The selective toxicity of AmB for fungal cells is attributed to the fact that it is more potent against fungal cell membranes containing ergosterol than against...
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublicationIn 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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Ageing-Time Dependent Changes of Angiotensin I-Converting Enzyme-Inhibiting Activity of Protein Hydrolysates Obtained from Dry-Cured Pork Loins Inoculated with Probiotic Lactic Acid Bacteria
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Isolation and structure of a covalent cross-link adduct between mitomycin C and DNA
PublicationA DNA cross-link adduct of the antitumor agent mitomycin C (MC) to DNA has been isolated and characterized; the results provide direct proof for bifunctional alkylation of DNA by MC. Exposure of MC to Micrococcus luteus DNA under reductive conditions and subsequent nuclease digestion yielded adducts formed between MC and deoxyguanosine residues. In addition to the two known monoadducts, a bisadduct was obtained. Reductive MC activation...
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Template chart detection for stoma telediagnosis
PublicationThe paper presents the concept of using color template charts for the needs of telemedicine, particularly telediagnosis of the stoma. Although the concept is not new, the current popularity and level of development of digital cameras, especially those embedded in smartphones, allow common and reliable remote advice on various medical problems, which can be very important in the case of limitations in a physical contact with a doctor....
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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2021_2022_Chemia_nieorganiczna_dla_kierunku_Chemia_semestr_II
e-Learning CoursesZapoznanie studentów z podstawowymi zagadnieniami chemii nieorganicznej - właściwościami pierwiastków i ich związków, występowaniem w przyrodzie, przerobem i zastosowaniem. Część I. Typy reakcji chemicznych - reakcje przeniesienia, elektronu, reakcje przeniesienia protonu i reakcje przeniesienia ligandów. Pierwiastki bloku p
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Significant Decrease in Glycated Hemoglobin, 2h-Post-Load Glucose and High-Sensitivity C-Reactive Protein Levels in Patients with Abnormal Body Mass Index after Therapy with Manual Lymphatic Drainage
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