Filters
total: 732
-
Catalog
Search results for: conformational entropy
-
Molecular dynamics study of the influence of calcium ions on the conformation of gelsolin S2 domain
Publication -
Relationship between polymorphism in the CRH gene and the traits of body conformation of Salers cows
Publication -
Synthesis, activity on NK-3 tachykinin receptor and conformational solution studies of scyliorhinin II analogs modified at position 16
Publication -
Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part II: studies in the SDS micelle
Publication -
Improved conformational space annealing method to treat β-structure with the UNRES force-field and to enhance scalability of parallel implementation
Publication -
Laser Welding of UNS S33207 Hyper-Duplex Stainless Steel to 6061 Aluminum Alloy Using High Entropy Alloy as a Filler Material
PublicationThe high entropy alloy (HEA) filler used during the fabrication method determines the reliability of HEAs for steel-aluminum dissimilar alloy configuration. HEAs have a direct impact on the formation of intermetallic compounds (IMC) formed by the interaction of iron (Fe) and aluminum (Al), and influence the size of the joint’s interaction zone. A novel welding process for Fe-Al alloy joints was developed to prevent the development...
-
The values of Block Entropy for individuals with Normal Sinus Rhythm
Open Research DataThe dataset consists of calculated values of entropy of 75 000 intervals between consecutive heartbeats (RR intervals) for 54 patients with normal sinus rhythm (NSR). The original data were taken from PhysioNet Normal Sinus Rhythm RR Interval Database (cf. Goldberger A., Amaral L., Glass L., Hausdorff J., Ivanov P.C., Mark R., Mietus J.E., Moody G.B.,...
-
The values of Permutation Entropy for individuals with Normal Sinus Rhythm
Open Research DataThe dataset consists of calculated values of entropy of 75 000 intervals between consecutive heartbeats (RR intervals) for 54 patients with normal sinus rhythm (NSR). The original data were taken from PhysioNet Normal Sinus Rhythm RR Interval Database (cf. Goldberger A., Amaral L., Glass L., Hausdorff J., Ivanov P.C., Mark R., Mietus J.E., Moody G.B.,...
-
The values of Block Entropy for patients with Congestive Heart Failure
Open Research DataThe dataset consists of calculated values of entropy of 75 000 intervals between consecutive heartbeats (RR intervals) for 29 patients with congestive heart failure (CHF). The original data were taken from PhysioNet Congestive Heart Failure RR Interval Database (cf. Goldberger A., Amaral L., Glass L., Hausdorff J., Ivanov P.C., Mark R., Mietus J.E.,...
-
The values of Permutation Entropy for patients with Congestive Heart Failure
Open Research DataThe dataset consists of calculated values of entropy of 75 000 intervals between consecutive heartbeats (RR intervals) for 29 patients with congestive heart failure (CHF). The original data were taken from PhysioNet Congestive Heart Failure RR Interval Database (cf. Goldberger A., Amaral L., Glass L., Hausdorff J., Ivanov P.C., Mark R., Mietus J.E.,...
-
Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike Protein
Publication -
Neta-sieć kooperacji i konkurencyjności północnej Europy.
PublicationPrzedstawiono strategiczne opcje polityki rozwojowej korytarza NETA (NorthEuropean Trade Axis Project). Porównano działanie regionalne w polskiej części NETA z działaniami innych regionów europejskich.
-
Strategie internacjonalizacji MSP wobec integracji ekonomicznej Europy
PublicationIntegracja ekonomiczna Europy, a zwłaszcza utworzenie IRE oraz unii gospodarczo - walutowej (UGW)znacząco przyspieszyło internacjonalizację MSP. MSP internacjonalizuje się w różny sposób - liczba wariantów strategicznych jest tu ogromna. Artykuł przedstawia strategie i instrumenty internacjonalizacji MSP, ocenia przydatność stosowanych w literaturze strategii do badań MSP.
-
Wewnętrzne i zewnętrzne uwarunkowania powstania Europy politycznej
PublicationTreścia rozdziału w monografii jest ukazanie politycznego wymiaru integracji europejskiej.
-
Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
Publication -
Structural elucidation of transmembrane transporter protein bilitranslocase: Conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy
Publication -
Conformation Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues
PublicationRodzina chiralnych cyklicznych oksamidów została otrzymana przez kondensację optycznie czynnych 1,2-diamin ze szczawianem dietylu. Tionowanie produktów odczynnikiem Lawessona doprowadziło do chiralnych 2,3-dipiperazynodionów. Geometrie cząsteczkowe badano z użyciem obliczeń kwantowo-mechanicznych DFT i porównano z wynikami analizy krystalograficznej. Sześcioczłonowy pierścień heterocykliczny przyjmuje konformację półkrzesłową,...
-
Differentiating patients with obstructive sleep apnea from healthy controls based on heart rate-blood pressure coupling quantified by entropy-based indices
PublicationWe introduce an entropy-based classification method for pairs of sequences (ECPS) for quantifying mutual dependencies in heart rate and beat-to-beat blood pressure recordings. The purpose of the method is to build a classifier for data in which each item consists of two intertwined data series taken for each subject. The method is based on ordinal patterns and uses entropy-like indices. Machine learning is used to select a subset...
-
Beyond the standard entropic inequalities: stronger scalar separability criteria and their applications
PublicationNiedawno pokazano, że jeżeli dwupodukładowy stan kwantowy spełnia strukturalne kryterium separowalności oparte na pewnym liniowym odwzorowaniu dodatnim (tzw. odwzorowanie redukcyjne) to musi także spełniać skalarne kryterium separowalności oparte na nierównościach entropijnych. Ponieważ nierówności te są obiecującymi z eksperymentalnego punktu widzenia detektorami splątania w układach kwantowych, interesującym wydaje się pytanie...
-
Ensemble fits of restrained peptides’ conformational equilibria to NMR data. Dependence on force fields: AMBER/8 ff03 versus ECEPP/3
Publication -
MHD darcy-forchheimer nanofluid flow and entropy optimization in an odd-shaped enclosure filled with a (MWCNT-Fe3O4/water) using galerkin finite element analysis
Publication -
Using pattern recognition entropy to select mass chromatograms to prepare total ion current chromatograms from raw liquid chromatography–mass spectrometry data
Publication -
Molecular dynamics study on the influence of C-terminal sugar substitution on dynamics and conformation of vancomycin derivatives
Publication -
Pozycja gospodarki Polski wobec krajów Europy. Analiza statystyczna.
PublicationArtykuł stanowi próbę oceny relatywnej pozycji Polski wobec krajów Europy. Do oceny tej, wzięto pod uwagę szerek czynników ekonomicznych, społecznych oraz technologicznych, które są powszechnie stosowane jako aproksymanty ogólnego poziomy rozwoju gospodarczego. W artykule autor wykorzystuje metody taksonomiczne oraz statystyczne.
-
STUDIUM EUROPY ŚRODKOWO WSCHODNIEJ
Journals -
Analysis of the process of water entry of an amphibious vehicle
PublicationThe paper presents a method of computational and experimental analysis of the process of water entry of an amphibious vehicle. The computational method is based on the Reynolds Averaged Navier-Stokes Equations (RANSE) solver and the xperiment was carried out in the towing tank at Ship Design and Research Centre S.A. with the use of a scale model. The analysis was focused on the safety of water entry, i.e. the maximum pitch and...
-
Stanisław Maciej Kot prof. dr hab.
People -
Entropic Measures of Complexity of Short-Term Dynamics of Nocturnal Heartbeats in an Aging Population
PublicationTwo entropy-based approaches are investigated to study patterns describing differences in time intervals between consecutive heartbeats. The first method explores matrices arising from networks of transitions constructed following events represented by a time series. The second method considers distributions of ordinal patterns of length three, whereby patterns with repeated values are counted as different patterns. Both methods provide...
-
Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
-
Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
-
Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
Publication -
Conformational latitude – activity relationship of KPPR tetrapeptide analogues toward their ability to inhibit binding of vascular endothelial growth factor 165 to neuropilin‐1
Publication -
Electronic states of tetrahydrofuran molecules studied by electron collisions
PublicationElectronic states of tetrahydrofuran molecules were studied in the excitation energy range 5.5-10 eV using the technique of electron energy loss spectroscopy in the gas phase. Excitation from the two conformations, C2 and Cs, of the ground state of the molecule are observed in the measured energy loss spectra. The vertical excitation energies of the 3(no3s) triplet state from the C2 and Cs conformations of the ground state of the...
-
Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublicationWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
-
Konkurencyjność w handlu usługami wybranych krajów Europy Środkowo-Wschodniej
PublicationCelem artykułu jest ocena pozycji konkurencyjnej w handlu usługami wybranych krajów Europy Środkowo-Wschodniej – Czech, Estonii, Litwy, Łotwy, Polski, Słowacji oraz Węgier na tle gospodarki światowej. Dane wykorzystane do analizy pochodzą z bazy danych WIOD i obejmują lata 1995 – 2011. Podstawą oceny pozycji konkurencyjnej jest wskaźnik RCA obliczony na podstawie krajowej wartości dodanej oraz na podstawie eksportu brutto. Źródłem...
-
Entropie
Journals -
Micelle-bound conformations of neurohypophyseal hormone analogues modified with a Cα-disubstituted residue: NMR and molecular modelling studies
Publication -
An Influence of the Aromatic Side Chains Conformations in Positions 2 and 3 of Vasopressin Analogs on Interactions with Vasopressin and Oxytocin Receptors
Publication -
Foreign Entry Modes of High-tech Firms in Poland
PublicationThe main objective of the article is to present the role and importance of foreign entry modes in internationalization process and their key determinants. Research methods: A quantitative research design was used. A survey was conducted on the sample of 263 firms operating in...
-
Czy Polska weźmie udział w rozwoju kreatywnej i innowacyjnej Europy?
PublicationAbsorbcja innowacji powoduje wzrost wydajności, rozwój ekonomiczny, wzrost regionalny. Polskie uczelnie i instytuty naukowo - badawcze znajdują się na peryferiach innowacji europejskich. Opisano dwa scenariusze: optymistyczny i pesymistyczny. Konieczne są głębokie reformy i wrost nakładów na B+R.
-
Zróżnicowanie w poziomie rozwoju gospodarczego pomiędzy krajami Europy. Analiza statystyczna
PublicationArtykuł przesdtawia wyniki najnowszej analizy dotyczącej porównania reltywnej pozycji Polski na tle krajów Europy, pod względem poziomu rozwoju społeczno-ekonomicznego. Analizie poddano okres 2000-2009.
-
Pozycja lekarza podstawowej opieki zdrowotnej w państwach Europy Środkowo-Wschodniej
PublicationPaństwa Europy Środkowo-Wschodniej w okresie powojennym rozwinęły systemy zdrowotne oparte na modelu Siemaszki. Zakładał on rozwój stacjonarnej i specjalistycznej opieki zdrowotnej, pomijając podstawową opiekę zdrowotną i rolę lekarzy ogólnych w systemie. Od ponad 20 lat w państwach Europy Środkowo-Wschodniej przywraca się właściwą pozycję lekarzom rodzinnym i podstawowej opiece zdrowotnej. Celem artykułu jest określenie pozycji...
-
Influence of bulky 3,3′-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies
Publication -
Vestnik Slavianskikh Kultur-Bulletin of Slavic Cultures-Scientific and Informational Journal
Journals -
A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublicationMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
-
Local Conformation and Cocrystallization Phenomena in Renewable Diaminoisoidide-Based Polyamides Studied by FT-IR, Solid State NMR, and WAXD
PublicationBiobased polyamides synthesized from diaminoisoidide (DAII), 1,4-diaminobutane, and sebacic acid are investigated by FT-IR, 13C{1H} magic-angle spinning/cross-polarization (CP/MAS) NMR spectroscopy, and WAXD. Their molecular conformation and mobility undergo distinct changes as a function of temperature and diaminoisoidide content in the compositions. The presence of randomly distributed diaminoisoidide (DAII) in the polyamides...
-
Studia Interkulturowe Europy Środkowo-Wschodniej
Journals -
Wschód Europy. Studia humanistyczno-społeczne
Journals -
Problem zaangażowania w filozofii Józefa Tischnera – wybrane tropy
Publication -
Motives for Going International and Entry Modes of Family Firms in Poland
PublicationThe artucule in the theoretical part focuses on theoretical concepts of firm internationalisation and specifics of internationalisation of FBs, especially their motives for going international. In the empirical part the quqantitative approach is adopted. The results of survey are presented on the sample of 216 firms, including 88 FBs. The statistical analysis is carried out