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Wyniki wyszukiwania dla: CONFORMATIONAL ENTROPY
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ENTROPY
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Informational entropy in simulation of one-dimensional random fields
PublikacjaEntropia ciągłego rozkładu prawdopodobieństwa jest zdefiniowana jako funkcja liczby węzłów skalarnego pola losowego. W przykładzie numerycznym przedstawiono propagacje entropii w zagadnieniu reakcji sprężystego wspornika przy losowym obciążeniu.
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Use of NMR and Fluorescence Spectroscopy as well as Theoretical Conformational Analysis in Conformation-activity Studies of Cyclic Enkephalin Analogues
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Solution conformational study of Scyliorhinin I analogues with conformational constraints by two-dimensional NMR and theoretical conformational analysis
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Comment on ''Quantum Entropy and Special Relativity''
PublikacjaKomentarz na temat publikacji Peresa, Scudo i Terno.
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Charge Transport in High-Entropy Oxides
PublikacjaThis work presents the results of research on the transport properties of the high-entropy BaZr1/8Hf1/8Sn1/8Ti1/8Y1/8In1/8Sm1/8Yb1/8O3–x perovskite oxide with special focus on proton transport. The presented study is part of broader work in which we focus on multiple different chemical compositions with the cation number varying from 5 up to 12 (in B-sublattice). The presence of proton defects is analyzed with thermogravimetry,...
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What is in a name: Defining “high entropy” oxides
PublikacjaABSTRACT High entropy oxides are emerging as an exciting new avenue to design highly tailored functional behaviors that have no traditional counterparts. Study and application of these materials are bringing together scientists and engineers from physics, chemistry, and materials science. The diversity of each of these disciplines comes with perspectives and jargon that may be confusing to those outside of the individual fields,...
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The laws of thermodynamics: entropy, free energy, information and complexity
PublikacjaW rozdziale przedstawiono podstawowe Zasady Termodynamiki. Omówiono zagadnienia związane z pojęciem entropii, energii Gibbsa, egzergii oraz systemami złożonymi.
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Two-particle entropy and structural ordering in liquid water
PublikacjaEntropies of simple point charge (SPC) water were calculated over the temperature range 278-363 K using the two-particle correlation function approximation. Then, the total two-particle contribution to the entropy of the system was divided into three parts, which we call translational, configurational, and orientational. The configurational term describes the contribution to entropy, which originates from spatial distribution of...
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Entropy analysis of surface EMG for classification of face movements
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Entropy of Financial Time Series Due to the Shock of War
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Entropy Production Associated with Aggregation into Granules in a Subdiffusive Environment
PublikacjaWe study the entropy production that is associated with the growing or shrinking of a small granule in, for instance, a colloidal suspension or in an aggregating polymer chain. A granule will fluctuate in size when the energy of binding is comparable to k_{B}T, which is the “quantum” of Brownian energy. Especially for polymers, the conformational energy landscape is often rough and has been commonly modeled as being self-similar...
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The measurement of conformational stability of proteins adsorbed on siloxanes
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Computational techniques for efficient conformational sampling of proteins
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Novel Class of Proton Conducting Materials—High Entropy Oxides
PublikacjaHere, for the first time, we present data on proton conductivity of high-entropy, single-phase perovskites. The BaZr0.2Sn0.2Ti0.2Hf0.2Ce0.2O3−δ, BaZr0.2Sn0.2Ti0.2Hf0.2Y0.2O3−δ, BaZr1/7Sn1/7Ti1/7Hf1/7Ce1/7Nb1/7Y1/7O3−δ, and BaZr0.15Sn0.15Ti0.15Hf0.15Ce0.15Nb0.15Y0.10O3−δ single-phase perovskites were synthesized. Before electrical measurements, materials were characterized using X-ray diffraction (XRD), scanning electron microscopy...
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A role of the heat and work uncompensatedtransformations in the balance of entropy and theturbomachinery efficiency
PublikacjaIn the paper we have presented a procedure of estimating a role of the uncompensated transformation of heat and work in ow of viscous and heat conducting uid. The procedure was introduced by Professor Romuald Puzyrewski and is essential in local, in time and space, balance of entropy. Furthermore this unique approach leads to redenition the eciency of uid-ow machinery in three-dimensional modeling using CFD (Computational Fluid...
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Computing algebraic transfer entropy and coupling directions via transcripts
PublikacjaMost random processes studied in nonlinear time series analysis take values on sets endowed with a group structure, e.g., the real and rational numbers, and the integers. This fact allows to associate with each pair of group elements a third element, called their transcript, which is defined as the product of the second element in the pair times the first one. The transfer entropy of two such processes is called algebraic transfer...
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In Vitro Measurement of Conformational Stability of Fibrinogen Adsorbed on Siloxane
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Simulation of the conformational flexibility of the mycodextran under external forces
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An efficient molecular docking using conformational space annealing
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Conformational changes of peptidoglycan fragments during their interactions with vancomycin
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Conformation of six fentanyls revisited
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Magnetosonic Excitation of the Entropy Perturbations in a Plasma with Thermal Conduction Depending on Temperature
PublikacjaNonlinear excitation of the entropy perturbations by magnetosonic waves in a uniform and infinite plasma model is considered. The wave vector of slow or fast mode forms an arbitrary angle (0 B B ) with the equilibrium straight magnetic field, and all perturbations are functions of the time and longitudinal coordinate. Thermal conduction is the only factor which destroys isentropicity of wave perturbations and causes the nonlinear...
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Entropy of water calculated from harmonic approximation: estimation of the accuracy of method
PublikacjaSome molecular dynamics simulations were performed for liquid TIP4P and SPC water at a constant density (1.00 g/cm(3)) and within the temperature range of 5-90 degrees C. By using harmonic approximation, both the entropy of water S-H and the specific heat c(v) were calculated, and the results were compared to literature data. It was found that harmonic approximation overestimates absolute entropy of TIP4P water by 5.6 J/mol K (similar...
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Conformational studies of neurohypophyseal hormones analogues with glycoconjugates by NMR spectroscopy
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A configurational and conformational study of (−)-Oseltamivir using a multi-chiroptical approach
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INNOVATIVE THERMODYNAMICAL CYCLES BASED ON ENHANCEMENT MASS, MOMENTUM, ENTROPY AND ELECTRICITY TRANSPORT DUE TO SLIP, MOBILITY, TRANSPIRATION, ENTROPY AND ELECTRIC JUMPS AS WELL AS OTHER NANO-FLOWS PHENOMENA
PublikacjaIn our work, a further development of the authors model of thermo-chemical flow of fuel, air, oxygen, steam water, species, ionic and electron currents within nano channels and nano-structures of novel devices is presented. Different transport enhancement models are taken into account -among them the most important are: the velocity slip connected with complex external friction, the Darcy mobility and the Reynolds transpiration....
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Mining Informational and Analytical Bulletin
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PROBABILITY IN THE ENGINEERING AND INFORMATIONAL SCIENCES
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Influence of hydrogen on a nanocrystalline high-entropy oxide with application potential in hydrogen technologies
PublikacjaThe influence of hydrogen on a (Co0⋅2Cu0⋅2Mg0⋅2Ni0⋅2Zn0.2)O HEO with a rock salt structure was studied. Two forms of this HEO (nanopowder and sinter) were prepared via mechanochemical synthesis (MS) and additional heat treatment, respectively. The chemical stability of the synthesized samples in a pure hydrogen atmosphere was investigated using Sievert’s technique. High-pressure hydrogenation at 250 ◦C had no noticeable effect...
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Decomposition of Acoustic and Entropy Modes in a Non-Isothermal Gas Affected by a Mass Force
PublikacjaDiagnostics and decomposition of atmospheric disturbances in a planar flow are considered in this work. The study examines a situation in which the stationary equilibrium temperature of a gas may depend on the vertical coordinate due to external forces. The relations connecting perturbations are analytically established. These perturbations specify acoustic and entropy modes in an arbitrary stratified gas affected by a constant...
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Entropy Measures in the Assessment of Heart Rate Variability in Patients with Cardiodepressive Vasovagal Syncope
PublikacjaSample entropy (SampEn) was reported to be useful in the assessment of the complexity of heart rate dynamics. Permutation entropy (PermEn) is a new measure based on the concept of order and was previously shown to be accurate for short, non-stationary datasets. The aim of the present study is to assess if SampEn and PermEn obtained from baseline recordings might differentiate patients with various outcomes of the head-up tilt test...
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Changes of Conformation in Albumin with Temperature by Molecular Dynamics Simulations
PublikacjaThis work presents the analysis of the conformation of albumin in the temperature range of 300K – 312K, i.e., in the physiological range. Using molecular dynamics simulations, we calculate values of the backbone and dihedral angles for this molecule. We analyze the global dynamic properties of albumin treated as a chain. In this range of temperature, we study parameters of the molecule and the conformational entropy derived from...
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Conformational analysis of N-isopropylbenzohydroxamic acids:Crystal structure, DFT and NMR studies
PublikacjaCelem pracy było znalezienie różnic strukturalnych dwóch wybranych kwasów N-izopropylobenzhydroksamowych, które rzutują na ich zaobserwowaną wcześniej zróżnicowaną reaktywność wobec odczynników elektrofilowych i porównanie ich budowy z budową znanych kwasów N-metylobenzhydroksamowych. Na podstawie analizy rentgenostrukturalnej monokryształu, obliczeń kwantowo-mechanicznych metodami ab initio oraz DFT w fazie gazowej oraz wyników...
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Optimization of Parameters in Macromolecular Potential Energy Functions by Conformational Space Annealing
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Evolution of physics-based methodology for exploring the conformational energy landscape of proteins
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Synthesis and conformational analysis of salivary proline-rich peptide P-B
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Antimicrobial and conformational studies of the active and inactive analogues of the protegrin-1 peptide
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Generalization of the elastic network model for the study of large conformational changes in biomolecules
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Generalization of the Elastic Network Model for the Study of Large Conformational Changes in Proteins
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Cyclic behavior of FeCoCrNiMn high entropy alloy coatings produced through cold spray
PublikacjaeCoCrNiMn high entropy alloy powders were employed to produce coatings on carbon steel through high pressure cold spray (at 1100 °C and 7 MPa in temperature and pressure respectively). X-ray diffraction of the sprayed material revealed a dense coating with the retention of the original crystallographic structure. Once splatted, particles revealed high flattening ratio with consequent excellent adhesion of the coating to the substrate....
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High-Entropy Perovskites as Multifunctional Metal Oxide Semiconductors: Synthesis and Characterization of (Gd0.2Nd0.2La0.2Sm0.2Y0.2)CoO3
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Acoustic field and the entropy mode induced by it in a waveguide filled with some non-equilibrium gases
PublikacjaThe non-linear propagation of an acoustic beam in a rectangular waveguide is considered. The medium of sound propagation, is a gas where thermodynamically non-equilibrium processes take place: such as exothermic chemical reactions or excitation of vibrational degrees of a molecule’s freedom. The incident and reflected compounds of the acoustic field do not interact in the leading order in the case of periodic weakly nonlinear sound...
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Problem of proper decomposition and initialization of acoustic and entropy modes in a gas affected by the mass force
PublikacjaThe relations connecting perturbations specific for acoustic and entropy modes in an accelerated fluid or in a fluid affected by constant mass force, are derived. They allow to decompose the total vector of perturbations and the overall energy into acoustic and non-acoustic parts uniquely at any instant. In order to do this, three quantities are required, for example total perturbations in entropy, pressure and velocity. The evaluations...
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Subadditivity of the minimum output entropy and superactivation of the classical capacity of quantum multiple access channels
PublikacjaWe study subadditivity of the minimum output entropy (Hmin) of quantum multiple access channels (MACs). We provide an example of violation of the additivity theorem for Hmin known in classical information theory. Our result is based on a fundamental property of MACs, i.e., independence of each sender. The channels used in the example can be constructed explicitly. On the basis of subadditivity of Hmin we also provide an example...
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Conformational studies of cyclic enkephalin analogues withL- orD-proline in position 3
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Conformational stability of the full-atom hexameric model of the ClpB chaperone fromEscherichia coli
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Photoinduced Isomerization of 23-Oxosapogenins: Conformational Analysis and Spectroscopic Characterization of 22-Isosapogenins
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Computer modeling of the solution conformation of cyclic enkephalins
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Zielone stolice Europy
PublikacjaPodsumowanie nowej inicjatywy Unii Europejskiej - ''Zielone Stolice Europy'' (European Green Capital), polegającej na wyróżnieniu miast -liderów we wdrażaniu kompleksowej polityki ochrony środowiska.
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The von Neumann entanglement entropy for Wigner-crystal states in one dimensional N-particle systems
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Entropy Measures of heart rate variability for short ECG datasets in patients with congestive heart failure
PublikacjaWe investigated the usefulness of entropy measures calculated for short ECG series in distinguishing healthy subjects from patients with congestive heart failure (CHF). Four entropy measures were tested: Approximate Entropy (ApEn), Sample Entropy (SampEn), Fuzzy Entropy (Fuzzy En) and Permutation Entropy (PE), each computed for ECG series of 1000, 500, 250 and 100 RR intervals. We found that with a reduction of the data set length...
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Entropy measures of heart rate variability for short ECG datasets in patients with congestive heart failure
PublikacjaWe investigated the usefulness of entropy measures calculated for short ECG series in distinguishing healthy subjects from patients with congestive heart failure (CHF). Four entropy measures were tested: Approximate Entropy (ApEn), Sample Entropy (SampEn), Fuzzy Entropy (FuzzyEn) and Permutation Entropy (PE), each computed for ECG series of 1000, 500, 250 and 100 RR intervals. We found that with a reduction of the data set length...
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Pressure effects on the electronic structure and superconductivity of (TaNb)0.67(HfZrTi)0.33 high entropy alloy
PublikacjaEffects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy ( TaNb ) 0.67 ( HfZrTi ) 0.33 are studied in the pressure range 0–100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Grüneisen model and the Grüneisen...
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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Enforced conformational changes in the structural units of glycosaminoglycan (non-sulfated heparin-based oligosaccharides)
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublikacjaF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Conformational studies of vasopressin analogues modified with N-methylphenylalanine enantiomers in dimethyl sulfoxide solution
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Conformational Preferences of Proline Derivatives Incorporated into Vasopressin Analogues: NMR and Molecular Modelling Studies
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Theoretical conformational analysis of six arginine vasopressin analogs with the l -naphthylalanine in position 3
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Martini 3 Model of Cellulose Microfibrils: On the Route to Capture Large Conformational Changes of Polysaccharides
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublikacjaEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublikacjaAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Entropia w algorytmach uczenia populacji
PublikacjaZastosowanie entropii w analizie zachowania się różnorodnych systemów daje podstawy do podjęcia próby wykorzystania entropii w algorytmie uczenia populacji. Koncepcja badania proponowana przez autorów wymagać będzie zdefiniowania niezbędnych pojęć teoretycznych, dlatego też celem artykułu jest zdefiniowanie pojęć: entropii a priori potencjalnego rozwiązania oraz średniej entropii populacji.
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Effect of head-to-tail cyclization on conformation of histatin-5
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Entropy function application within the selection process of diagnostic parameters of marine diesel and gas turbine engines
PublikacjaThe paper presents the method of conducting an analysis of the diagnostic informativeness among the parameters characterizing the observed gas dynamic processes carried out within working spaces of marine diesel and gas turbine engines. An entropy function, as the measure of uncertainty of the identified states' set of the engine unfitness was applied. Having evaluated the diagnostic information the most adequate parameters were...
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TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Elucidation of the effect of some cholinium amino acid ionic liquids on the thermal and the conformational stability of insulin
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Synthesis, biological activity and conformational analysis of head-to-tail cyclic analogues of LL37 and histatin 5
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A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublikacjaSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
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Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
PublikacjaHigh-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder....
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A simple approach to heat exchanger sizing optimisation by means of entrophy generation minimisation
PublikacjaIn the paper an attempt is presented to find the method of optimization of microtube diameter with respect to optimal thermal-hydraulic conditions in the single-phase shell-and-tube heat exchangers. The approach is based on consideration of pumping power at the condition of maximum heat transfer by the heat exchanger tube system. In the optimization method the tube diameter is first specified and then appropriate calculations are...
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Entropia w badaniach zaburzeń rytmu serca
PublikacjaArtykuł prezentuje zastosowanie ''Approximate Entropy'', będącej miarą stopnia złożoności szeregów czasowych, do analizy zmiennosci rytmu serca.
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Novel analogues of bradykinin conformationally restricted in the C-terminal part of the molecule
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Ślady i tropy
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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Conformational studies of highly potent 1-aminocyclohexane-1-carboxylic acid substituted V2 vasopressin agonists
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Conformational Studies of Two Bradykinin Antagonists by Using Two-dimensional NMR Techniques and Molecular Dynamics Simulations
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Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
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Region Morza Bałtyckiego - lokomotywą Europy?
PublikacjaArtykul prezentuje potencjalne szanse regionu Morza Bałtyckiego na stanie się lokomotywą integrującej się Europy.
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Cywilizacja amerykańska a wartości kulturowe Europy
PublikacjaArtykuł porównuje cywilizację amerykańską z cywilizacja europejską pokazując, że korzenie cywilizacji amerykańskiej leżą, po pierwsze, w programie oświecenia, z jego kultem uniwersalnych, opartych na rozumie wartości i, po drugie, w etyce protestanckiej z jej naciskiem na indywidualny sukces w życiu doczesnym będący widomym znakiem łaski Bożej. Europa natomiast, odwołując się równiez do uniwersalnych wartości, jest Europą narodów...
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Structural properties of hydration shell around various conformations of simple polypeptides
PublikacjaIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
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Galerkin Finite Element Process for Entropy Production and Thermal Evaluation of Third-Grade Fluid Flow: A Thermal Case Study
Publikacja: A fluid’s moving class improves its heat transmission capability, as well as its rigidity, owing to multivariate molecule suspension. In this way, nanofluids are superior to common fluids. In this study, we evaluated the features of ease and heat transfer. Furthermore, we investigated permeable media, heat source, variable heat conductivity, and warm irradiation results. A mathematical technique known as the Galerkin finite element...
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APPLICATION OF ENTROPY-BASED METHODS TO DISTINGUISH HEALTHY INDIVIDUALS WITH NORMAL SINUS RHYTHM FROM PATIENTS WITH CONGESTIVE HEART FAILURE
PublikacjaIn this paper, we examined whether entropy-based methods are able to differentiate healthy individuals from patients with congestive heart failure. To this aim, we applied two methods: Permutation Entropy and Block Entropy. Long-term ECG recordings (75 000 RR intervals) were analyzed. The results proved that both methods can distinguish those groups on condition that the parameters are appropriately chosen.
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Metric entropy and digital image correlation in deformation dynamics analysis of fibre glass reinforced composite under uniaxial tension
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Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
PublikacjaAlbumin is one of the major components of synovial fluid. Due to its negative surface charge, it plays an essential role in many physiological processes, including the ability to form molecular complexes. In addition, glycosaminoglycans such as hyaluronic acid and chondroitin sulfate are crucial components of synovial fluid involved in the boundary lubrication regime. This study presents the influence of Na+, Mg2+ and Ca2+ ions...
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublikacjaMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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Entropia w algorytmach opartych na ewolucji populacji
PublikacjaZastosowanie entropii w analizie zachowania się różnorodnych systemów daje podstawy do podjęcia próby wykorzystania entropii w algorytmach opartych na ewolucji populacji. Koncepcja badania proponowana przez autorów oparta jest na pewnej propozycji intelektualnej i wymaga zdefiniowania niezbędnych pojęć teoretycznych. Dlatego też celem rozdziału jest zdefiniowanie pojęć: entropii a priori potencjalnego rozwiązania oraz średniej...
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Cis/trans conformational equilibrium across the N-methylphenylalanine2- N-methylphenylalanine3 peptide bond of arginine vasopressin analogs
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Highly Potent Antidiuretic Antagonists: Conformational Studies of Vasopressin Analogues Modified with 1-Naphthylalanine Enantiomers at Position 2
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part I: studies in water
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Localization of key amino acid residues in the dominant conformational epitopes on thyroid peroxidase recognized by mouse monoclonal antibodies
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Study of the Experimental and Simulated Vibrational Spectra Together with Conformational Analysis of Thioether Cyanobiphenyl-Based Liquid Crystal Dimers
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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra
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MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?
PublikacjaPraca dotyczy pH zależnych zmian konformacyjnych EF pętli beta-laktoglobuliny. Zmiany te są śledzone za pomocą metod obliczeniowych chemii (dynamika molekularna oraz metody MM/PBSA).
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Solution conformations of bradykinin antagonists modified with CαCα cyclized nonaromatic residues
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Perspektywy edukacyjne dla społeczeństwa zjednoczonej Europy
PublikacjaPublikacja zawiera opis różnorodnych koncepcji edukacyjnych stanowiących podstawę rozwoju współczesnych systemów edukacyjnych w państwach zjednoczonej Europy. W publikacji zwrócono szczególną uwagę na charakterystykę katalogu kompetencji kluczowych w kontekście problemów i wyzwań jakie przed edukacją dla europejskiego społeczeństwa wiedzy stawia rzeczywistość i przyszłość oraz politykę UE w dziedzinie kształcenia opierającej się...