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Search results for: HALOGEN INTERACTION
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Unique Aggregation of Sterigmatocystin in Water Yields Strong and Specific Circular Dichroism Response Allowing Highly Sensitive and Selective Monitoring of Bio-Relevant Interactions
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublicationThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Discriminating macromolecular interactions based on an impedimetric fingerprint supported by multivariate data analysis for rapid and label-free Escherichia coli recognition in human urine
PublicationThis manuscript presents a novel approach to address the challenges of electrode fouling and highly complex electrode nanoarchitecture, which are primary concerns for biosensors operating in real environments. The proposed approach utilizes multiparametric impedance discriminant analysis (MIDA) to obtain a fingerprint of the macromolecular interactions on flat glassy carbon surfaces, achieved through self-organized, drop-cast,...
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Interactions between hydration spheres of two different solutes in solution: The least squares fitting with constraints as a tool to determine water properties in ternary systems
PublicationBiological systems are complex and the problem of their description lies in mutual interactions between their components. This paper is focused on model experiment-based studies which can reduce these difficulties. The ternary aqueous N-methylacetamide (NMA)–Na2HPO4 system has been studied by means of the FTIR spectroscopy. A novel difference spectra method aimed to extract the spectral contribution of water affected simultaneously...
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Comment on “Entanglement of two interacting bosons in a two-dimensional isotropic harmonic trap” [Phys. Lett. A 373 (2009) 3833]
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Integration of Fuzzy AHP and Fuzzy TOPSIS Methods for Wire Electric Discharge Machining of Titanium (Ti6Al4V) Alloy Using RSM
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Some new soliton solutions to the higher dimensional Burger–Huxley and Shallow water waves equation with couple of integration architectonic
PublicationIn this paper, we retrieve some traveling wave, periodic solutions, bell shaped, rational, kink and anti-kink type and Jacobi elliptic functions of Burger’s equation and Shallow water wave equation with the aid of various integration schemes like improved -expansion scheme and Jacobi elliptic function method respectively. We also present our solutions graphically in various dimensions.
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Integration of Fluorescent, NV-Rich Nanodiamond Particles with AFM Cantilevers by Focused Ion Beam for Hybrid Optical and Micromechanical Devices
PublicationIn this paper, a novel fabrication technology of atomic force microscopy (AFM) probes integrating cantilever tips with an NV-rich diamond particle is presented. Nanomanipulation techniques combined with the focused electron beam-induced deposition (FEBID) procedure were applied to position the NV-rich diamond particle on an AFM cantilever tip. Ultrasonic treatment of nanodiamond suspension was applied to reduce the size of diamond...
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How Integration of a Brain-Machine Interface and Obstacle Detection System Can Improve Wheelchair Control via Movement Image
PublicationThis study presents a human-computer interaction combined with a brain-machine interface (BMI) and obstacle detection system for remote control of a wheeled robot through movement imagery, providing a potential solution for individuals facing challenges with conventional vehicle operation. The primary focus of this work is the classification of surface EEG signals related to mental activity when envisioning movement and deep relaxation...
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Interactive Learning Environments
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Low-energy positron scattering from gas-phase pyrimidine: A quantum treatment of the dynamics and a comparison with experiments
PublicationWe are reporting detailed quantum scattering calculations that describe the diffusion of a beam of low-energy positrons interacting with the pyrimidine target as a gas-phase partner. The calculations have employed an essentially ab initio model for the short-range correlation interaction and for the electrostatic interaction of an impinging positron and the electron+nuclear structure of the target molecule at its equilibrium geometry.
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JOURNAL OF MUSCULOSKELETAL & NEURONAL INTERACTIONS
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In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions
PublicationIn this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e....
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Lower rim substituted tert-Butylcalix[4]arenes. Part 13. Interaction of calix-hydroxamates with Fe(III) and Pb(II); studies in ion-selective membrane electrodes (ISE)
PublicationPrzedmiotem pracy są badania oddziaływań pomiędzy trzema wybranymi hydroksamowymi pochodnymi t-butylo-kaliks[4]arenu i jonami metali z wykorzystaniem membranowych elektrod jonoselektywnych (ISE). Elektrody zawierające jako materiał aktywny wymienione związki jonoforowe charakteryzują się nernstowskim nachyleniem i szerokim zakresem liniowości na jony Pb(II), a także dobrą selektywnością na jony Pb(II)w stosunku do jonów UO2(II),...
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Damian Rosiak dr inż.
PeopleEducation 2010–2014: Gdansk University of Technology, Chemical Faculty (Eng.) field of study: biotechnology specialty: drug biotechnology 2014–2015: Gdansk University of Technology, Chemical Faculty (M.Sc.) field of study: biotechnology specialty: drug biotechnology 2015–2020: Gdansk University of Technology, Department of Inorganic Chemistry (Ph.D.) discipline: chemical sciences specialty: inorganic chemistry Scientific...
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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 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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An unusual four-nuclear Pb(II)-pyrrole-2-carboxylato polymer: The effect of the lone pair and non-covalent interactions on the supramolecular assembly and fluorescence properties
PublicationThe reaction of Pb(NO3)2 with 1H-pyrrole-2-carboxylic acid (2prCOOH) leads to the formation of a new four-nuclear Pb(II) polymer, [Pb4(2prCOO)8(H2O)]n, which has been characterized by CHN, FT-IR, TG, PL and single-crystal X-ray diffraction methods. In view of the primary Pb–O bonds, Pb1 and Pb3 show hemidirected pentagonal pyramidal geometries, while Pb2 and Pb4 display hemidirected octahedral geometries. The topology of the strongest...
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Krzysztof Hałagan Dr inż.
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Interactive assessment of lignite and bamboo-biochar for geochemical speciation, modulation and uptake of Cu and other heavy metals in the copper mine tailing
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REVISING ENTREPRENEURIAL ORIENTATION (EO) IN SOCIAL ENTREPRENEURSHIP, QUALITATIVE EVIDENCE FROM WORK INTEGRATION SOCIAL ENTERPRISES (WISES) FROM POLAND
PublicationEntrepreneurial behaviour and entrepreneurial orientation (EO) of (commercial) entrepreneurship. have received significant scholarly attention in entrepreneurship and management research However, there are insufficient attempts discussing such behaviour and EO in non-profit, and particularly social entrepreneurship context, arguing that EO is higher in such contexts, or remains the same, some new EO dimensions are proposed, existing...
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Machine Learning Assisted Interactive Multi-objectives Optimization Framework: A Proposed Formulation and Method for Overtime Planning in Software Development Projects
PublicationMachine Learning Assisted Interactive Multi-objectives Optimization Framework: A Proposed Formulation and Method for Overtime Planning in Software Development Projects Hammed A. Mojeed & Rafal Szlapczynski Conference paper First Online: 14 September 2023 161 Accesses Part of the Lecture Notes in Computer Science book series (LNAI,volume 14125) Abstract Software development project requires proper planning to mitigate risk and...
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Algebraic periods and minimal number of periodic points for smooth self-maps of 1-connected 4-manifolds with definite intersection forms
PublicationLet M be a closed 1-connected smooth 4-manifolds, and let r be a non-negative integer. We study the problem of finding minimal number of r-periodic points in the smooth homotopy class of a given map f: M-->M. This task is related to determining a topological invariant D^4_r[f], defined in Graff and Jezierski (Forum Math 21(3):491–509, 2009), expressed in terms of Lefschetz numbers of iterations and local fixed point indices of...
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3D Model Preparing Patterns for Interactive Urban Visualization - Guidelines for Graphic Designers Preparing 3D Models for Virtual Reality Applications
PublicationWhile working on architectural visualizations, the software developer often has to work with graphic designers who create models in a different environment what can cause many complications. For this reason, it is very important to have some guidelines which can protect both the developer and the designer from commixing mistakes. The paper presents a list of such guidelines based on the authors’ experience. The reader can treat...
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Decomposition of halogenated nucleobases by surface plasmon resonance excitation of gold nanoparticles
PublicationHalogenated uracil derivatives are of great interest in modern cancer therapy, either as chemotherapeutics or radiosensitisers depending on their halogen atom. This work applies UV-Vis spectroscopy to study the radiation damage of uracil, 5-bromouracil and 5- uorouracil dissolved in water in the presence of gold nanoparticles upon irradiation with an Nd:YAG ns-pulsed laser operating at 532nm at dierent uences. Gold nanoparticles...
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Structure-activity relationship study of a small cyclic peptide H-c[Lys-Pro-Glu]-Arg-OH: a potent inhibitor of Vascular Endothelial Growth Factor interaction with Neuropilin-1
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Analysis of Reconstituted Tripartite Complex Supports Avidity-based Recruitment of Hsp70 by Substrate Bound J-domain Protein
PublicationHsp70 are ubiquitous, versatile molecular chaperones that cyclically interact with substrate protein(s). The initial step requires synergistic interaction of a substrate and a J-domain protein (JDP) cochaperone, via its J-domain, with Hsp70 to stimulate hydrolysis of its bound ATP. This hydrolysis drives conformational changes in Hsp70 that stabilize substrate binding. However, because of the transient nature of substrate and JDP...
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Journal for Perspectives of Economic Political and Social Integration, Journal for Mental Change.
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Impact of inorganic ions and pH variations on toxicity and endocrine potential of selected environmentally relevant pharmaceuticals
PublicationAssessment of the impact of pharmaceutical residues on living organisms is a very complex subject. Apart from taking into account the toxicity of individual compounds, environmental factors should also be taken into account. In this paper, attempts were made to assess the impact of coexisting inorganic ions and changes in pH on the toxicity of ten selected pharmaceuticals. Two bioassays were used to measure the estrogenic and androgenic...
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Examination of the interactions occurring in the gas and liquid phases of atmospheric pressure glow discharge generated in contact with a liquid electrode leading to production of size-defined gold nanostructures
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Molecular Docking-Based Study of Vasopressin Analogues Modified at Positions 2 and 3 with N-Methylphenylalanine: Influence on Receptor-Bound Conformations and Interactions with Vasopressin and Oxytocin Receptors
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublicationCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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A Special Section on Intelligent User Interfaces in Healthcare (IUIH)
PublicationA concept of interface has evolved from the first appearance in the form of a command line interface to the established use of direct manipulation or WIMP (windows, icons, menus and pointing) interfaces in nearly all applications. Intelligent user interfaces (IUI) form a subfield of Human-Computer Interaction research. Optimal human-computer interactions are defined as ones where users are able to perform complex tasks more quickly...
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Human System Interaction
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Human-Agent Interaction
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A Proposal for Using Modified Site-specific Recombination Systems for Making Insertions into a Chosen Chromosomal Sitein vivoBased on the Analysis of I Phage Integration
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Prediction of maximum tensile stress in plain-weave composite laminates with interacting holes via stacked machine learning algorithms: A comparative study
PublicationPlain weave composite is a long-lasting type of fabric composite that is stable enough when being handled. Open-hole composites have been widely used in industry, though they have weak structural performance and complex design processes. An extensive number of material/geometry parameters have been utilized for designing these composites, thereby an efficient computational tool is essential for that purpose. Different Machine Learning...
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Flexible Knowledge–Vision–Integration Platform for Personal Protective Equipment Detection and Classification Using Hierarchical Convolutional Neural Networks and Active Leaning
PublicationThis work is part of an effort to develop of a Knowledge-Vision Integration Platform for Hazard Control (KVIP-HC) in industrial workplaces, adaptable to a wide range of industrial environments. The paper focuses on hazards resulted from the non-use of personal protective equipment (PPE). The objective is to test the capability of the platform to adapt to different industrial environments by simulating the process of randomly selecting...
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Designing digital displays and interactive media in today’s cities by night. Do we know enough about attracting attention to do so?
PublicationWith the huge transformation in the development of digital screen technology and its consistently decreasing cost, digital billboards are progressively replacing traditional static, two-dimensional poster advertisements in our cities1. Previously, due to the substantial expenditure involved, they were only available to major international brands with vast promotional resources to build their brand fame. Today, however, they are...
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Brain-computer interaction based on EEG signal and gaze-tracking information = Analiza interackji mózg-komputer wykorzystująca sygnał EEg i informacje z systemu śledzenia punktu fiksacji wzroku
PublicationThe article presents an attempt to integrate EEG signal analysis with information about human visual activities, i.e. gaze fixation point. The results from gaze-tracking-based measurement were combined with the standard EEG analysis. A search for correlation between the brain activity and the region of the screen observed by the user was performed. The preliminary stage of the study consists in electrooculography (EOG) signal processing....
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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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Interaction of amphotericin B and its low toxic derivative, N-methyl-N-D-fructosyl amphotericin B methyl ester, with fungal, mammalian and bacterial cells measured by the energy transfer method.
PublicationPochodna amfoterycyny B ( AMB) ester metylowy N-metylo-N-D-fruktozylo amfoterycyny B (MFAME) wykazuje szerokie spektrum i wysoką aktywność przeciwgrzybową wyjściowego amtybiotyku i równocześnie toksyczność mniejszą o dwa rzędy wielkości. Celem tej pracy było ustalenie czy obserwowane różnice między toksycznością pochodnej i wyjściowego antybiotyku wynikają z różnic w powinowactwie do błon komórkowych grzybów i komórek ssakowych....
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Ocena zasobów eksploatacyjnych w warunkach intensywnego współdziałania ujęć w rejonie Trójmiasta = The admissible volume of extracted groundwater under conditions of intensive interaction between groundwater intakes in Tricity region
PublicationAglomeracja Trójmiejska położona jest na bardzo zróżnicowanym geomorfologicznie obszarze. Wody podziemne ujmowane są zarówno na obszarze wysoczyzny - w strefie zasilania i przepływu wód podziemnych, jak i na obszarze nizin nadmorskich - w strefie ich drenażu. W artykule przestawiono wyniki badań modelowych prowadzonych w celu ustalenia zasobów eksploatacyjnych wód z utworów czwartorzędowych na jednym z ujęć zlokalizowanych w...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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DYNAMIC ANALYSIS OF THE IMPACT OF VIBRATION ON HISTORICAL BUILDINGS - AN OWN PROJECT OF EXTERNAL STAIRCASE
PublicationThis article presents numerical simulations that concern modeling of interaction of the external staircase’s construction with the observation deck on historic water tower located at Gdansk University of Technology. The interaction occurring according to various methods of the staircase's construction support on the wall of the historic tower was compared. The external staircase that allows for entering onto the monument was subjected...
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Effects of interactions between variation in dopaminergic genes, traumatic life events, and anomalous self-experiences on psychosis proneness: Results from a cross-sectional study in a nonclinical sample
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Jarosław Guziński prof. dr hab. inż.
PeopleJaroslaw Guzinski received M.Sc., Ph.D. and D.Sc. degrees from the Electrical Engineering Department at Technical University of Gdansk, Poland in 1994, 2000 and 2011 respectively. Since 2016 he is Associate Professor at Gdansk University of Technology. Currently he is the head of the Department of Electric Drives and Energy Conversion. From 2006 to 2009 he was involved in European Commission Project PREMAID Marie Curie, ‘Predictive...
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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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Sharp transitions in low-number quantum dots Bayesian magnetometry
PublicationWe consider Bayesian estimate of static magnetic field, characterized by a prior Gaussian probability distribution, in systems of a few electron quantum dot spins interacting with infinite temperature spin environment via hyperfine interaction. Sudden transitions among optimal states and measurements are observed. Usefulness of measuring occupation levels is shown for all times of the evolution, together with the role of entanglement...