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Search results for: ARNOLD CONJECTURE
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Equitable coloring of corona products of graphs
PublicationIn this paper we consider an equitable coloring of some corona products of graphs G and H in symbols, G o H). In particular, we show that deciding the colorability of G o H is NP-complete even if G is 4-regular and H is K_2. Next, we prove exact values or upper bounds on the equitable chromatic number of G o H, where G is an equitably 3- or 4-colorable graph and H is an r-partite graph, a path, a cycle or a complete graph.
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Aktualność "Sporu o istnienie świata" Romana Ingardena w świetle współczesnych mu stanowisk filozoficznych
PublicationParadoksalnie Ingarden nie jest w stanie wykazać, że świat realny istnieje w pewnym zasadniczym sensie „istnienia”, bo przyjmuje taki sam jak Husserl egologiczny, przeżyciowy model czystej świadomości i sam podążając za Husserlem przyjmuje istnienie dwóch dziedzin przedmiotów indywidualnych: dziedzinę czystej świadomości (rozumianej po husserlowsku jako strumień przeżyć) i dziedzinę świata realnego za punkt wyjścia swoich rozważań....
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The photodynamic effect of far-red range phthalocyanines (AlPc and Pc green) supported by electropermeabilization in human gastric adenocarcinoma cells of sensitive and resistant type
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Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC
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Coarse-Grained Models of Proteins: Theory and Applications
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Parametrization of Backbone−Electrostatic and Multibody Contributions to the UNRES Force Field for Protein-Structure Prediction from Ab Initio Energy Surfaces of Model Systems
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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 2. Off-Lattice Tests of the Method with Single Proteins
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Improved conformational space annealing method to treat β-structure with the UNRES force-field and to enhance scalability of parallel implementation
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Reply to “Comment on ‘Molecular Origin of Anticooperativity in Hydrophobic Association'”
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Steroidogenesis in the skin: Implications for local immune functions
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Conducting composites as cable anodes in cathodic protection
PublicationOpisano zasadę działania oraz podstawowe parametry charakteryzujące układ anodowy z wykorzystaniem anod kablowych w systemie ochrony katodowej podziemnych konstrukcji. W tej metodzie ochrony jako materiał anodowy wykorzystywany jest kompozyt przewodzący, którego właściwości mechaniczne umożliwiają budowę anody w formie kabla biegnącego wzdłuż trasy konstrukcji podziemnej. Wykazano, że zawartość grafitu w elektrodzie kompozytowej...
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Słowny znak towarowy ARPOL
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A multithreaded CUDA and OpenMP based power‐aware programming framework for multi‐node GPU systems
PublicationIn the paper, we have proposed a framework that allows programming a parallel application for a multi-node system, with one or more GPUs per node, using an OpenMP+extended CUDA API. OpenMP is used for launching threads responsible for management of particular GPUs and extended CUDA calls allow to manage CUDA objects, data and launch kernels. The framework hides inter-node MPI communication from the programmer who can benefit from...
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Molecular Simulation Study of the Potentials of Mean Force for the Interactions between Models of Like-Charged and between Charged and Nonpolar Amino Acid Side Chains in Water
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Single chamber electrolyte supported SOFC module.
PublicationZaproponowano konstrukcję modułu składającego się z dwóch jednokomorowych ogniw paliwowych SOFC na nośnym elektrolicie. Moduł zbudowany jest z jednego substratu z tlenku ceru i domieszkowanym samarem oraz dwóch anod z cermetu na bazie tlenku niklu i dwóch katod z perovskitu LSCF. Przygotowano i zbadano moduły z różną powierzchnią elektrod, które były testowane w mieszaninach powietrza i propanu. Wielkość elektrod miała silny wpływ...
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A new phosphonium calix[4]arene for selective anion recognition: synthesis and studies in solution and in ion selective electrodes
PublicationZaprezentowana została synteza i charakteryzacja tetra (trifenylofosfoniowego) p-tert-butylkaliks[4]arenu 2. Oddziaływania z anionami były badane z użyciem (1)H oraz (31)P NMR i spektrofotometrii absorpcyjnej UV. Badania wykazały oddziaływania z anionami: CLO4-, I-, oraz SCN-. Selektywność jonoforu 2 badano również w membranowych elektrodach jonoselektywnych (ISE) PCV/o-NPOE. Elektroda zawierająca związek 2 generuje odpowiedź potencjometryczną...
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Calix[4]arene-Thioamides as Ionophores for Transition and Heavy Metal Cations.
PublicationPochodne kaliks[4]arenów odgrywają ważną rolę jako materiał aktywny w membranowych elektrodach jonoselektywnych. Obecnie duży nacisk kładzie się na kontrolę stężeń kationów metali ciężkich, takich jak Pb, Cd, Hg, Cu w wodach naturalnych. Naszym zadaniem było zaprojektować i zsyntezować ligandy, które wykazują zdolność do wiązania kationów metali ciężkich i przejściowych. Synteza, struktury krystaliczne, ekstrakcja i właściwości...
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Lower rim substituted p-tert-butylcalix[4]arene; Part 14. Synthesis, structures and binding studies of calix[4]arene thioamides
PublicationA number of p-tert-butylcalix[4]arene thioamides were synthesized and characterized by 1H-NMR and elemental analysis. Compounds 1-5 are O-substituted derivatives with -CH2-C(=S)-N-X groups, where NX = morpholidyl, NEt2, NHC2H4Ph, NHCH2Ph and NHEt,respectively. The X-ray structures of the ligands 1, 3, 5 and of the complex 3Pb(ClO4)2, (compound 6), are presented and their slightly distorted cone conformation is established. The...
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Calix[4]arene-Thioamides as Ionophores for Transition and Heavy Metal cations
PublicationCalix[4]arene derivatives play an important role as sensing materials in Ion Selective Electrodes(ISEs). Nowadays a high impact is put to control in natural waters the level of toxic heavy metals, like Pb ,Cd, Hg or Cu which may cause the great risk to human health. Our goal was to design and to synthesize ligands possessing ability to bind transition and heavy metal cations. The synthesis, crystal structures,extractive and ionophoric...
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Lower Rim Substituted p-tert-Butyl-Calix[4]arene. Part 16. Synthesis of 25, 26, 27, 28-tetrakis(piperidinethiocarbonylmethylene)-p-tert-butylcalix[4]arene and its interaction with metal ions
PublicationThe synthesis, characterisation and X-ray crystal structures of p-tert-butyl-calix[4]arenethioamide L and its complex with lead L-Pb2+ is reported. The cation-binding properties in solution have been assessed by liquid-liquid extraction of the metal picrates from water into dichloromethane and by stability constants determination in acetonitrile using UV-absorption spectrophotometry or potentiometry. The compound was used as active...
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Lower rim substituted p-tert-butyl-calix[4]arene. Part 16. Synthesis of 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene and its interaction with metal ions
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Optimization of Parameters in Macromolecular Potential Energy Functions by Conformational Space Annealing
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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 1. Tests of the Approach Using Simple Lattice Protein Models
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Reply to “Comment on ‘Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions'” by B. P. van Eijck and J. Kroon
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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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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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Potential of Mean Force of Hydrophobic Association: Dependence on Solute Size
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
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Anion recognition by phosphonium calix[4]arens: synthesis and physico-chemical studies
Publicationp-tert-butylcalix[4]arenes in the cone conformation, di-and tetra substituted at the narrow rim with charged phosphonium groups have been synthesies and characterised.
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Lower rim substituted tert-butyl calix[4]arene (part VII): ionophoric properties of calix[4]arene-crown-6 derivatives in plasticized PVC-membrane electrodes and in solution.
PublicationW pracy przedstawiono syntezę i charakterystykę otrzymanych produktów (2-9), pochodnych p-tert-butylokaliks[4]-korony-6. Zdolności kompleksujące tych związków badano w elektrodach jonoselektywnych, stosując te związki jako jonofory w plastyfikowanej membranie PCW.Wyznaczono wartości stałych trwałości kompleksów z jonami metali I grupy. Stwierdzono, że selektywność kompleksowania zależy od rozmiaru i natury podstawnika wprowadzonego...
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Novel vitamin D photoproducts and their precursors in the skin
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Modelling of the Svalbard fjord Hornsund
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Comment on “Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond” [J. Chem. Phys. 115, 1414 (2001)]
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Molecular simulation study of cooperativity in hydrophobic association
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Erratum to “Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles” [Biophys. Chem. 105 (2003) 339–359]
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Lower rim substituted p-tert-butyl-calix[4]arene. Part 17. synthesis, extractive and ionophoric properties of p-tert-butylcalix[4]arene appended with hydroxamix acid moieties
PublicationThe synthesis and characterization of four p-tert-butylcalix[4]arene-hydroxamic acidc are reported. The dependence of the metal ion binding, assessed by liquid extraction of the metal nitrates from water into dichloromethane in individual and competitive experiments, on the ligand structure, is presented. The results showed that those ligands could be successfully used in separation process of trnasition and heavy metals often...
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. 3. Calculation and Parameterization of the Potentials of Mean Force of Pairs of Identical Hydrophobic Side Chains
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Recent Results from Studies of Electric Discharges in the Mesosphere
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Lower rim substituted p-tert-butyl-calix[4]arene. Part 17. Synthesis, extractive and ionophoric properties of p-tert-butylcalix[4]arene appended with hydroxamic acid moieties
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Modification and Optimization of the United-Residue (UNRES) Potential Energy Function for Canonical Simulations. I. Temperature Dependence of the Effective Energy Function and Tests of the Optimization Method with Single Training Proteins
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Can cooperativity in hydrophobic association be reproduced correctly by implicit solvation models?
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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 3. Use of Many Proteins in Optimization
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Simulation of the Opening and Closing of Hsp70 Chaperones by Coarse-Grained Molecular Dynamics
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Determinants of the primary stability of cementless acetabular cup implants: A 3D finite element study
PublicationPrimary stability of cementless implants is crucial for the surgical success and long–term stability. However, primary stability is difficult to quantify in vivo and the biomechanical phenomena occurring during the press–fit insertion of an acetabular cup (AC) implant are still poorly understood. The aim of this study is to investigate the influence of the cortical and trabecular bone Young's moduli Ec and Et, the interference...
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Calix[4]arenes appended with thioamide moieties as powerful tool for heavy metals recognition
PublicationSelectivity of new thioamide derivatives was assessed using those ligands as sensor materials in ion-selective membrane electrodes and tested towards Pb2+ - selectivity. The influence of the nature of the thioamide function (linear, branched or cyclic substituents) on their ionophoric properties was investigated. Electrodes based on cyclic thioamide moieties are promising analytical tools for monitoring Pb2+ concentration in natural...
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Ag modified ZnO microsphere synthesis for efficient sonophotocatalytic degradation of organic pollutants and CO2 conversion
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Calix[4]Arenes Appended with Thioamide Moieties as Powerful Tool for Heavy Metals Recognition
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