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Search results for: HOST–GUEST INTERACTIONS
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Fourier transform infrared spectroscopic and theoretical study of water interactions with glycine and its N-methylated derivatives
PublicationZbadano hydratację glicyny i jej metylowych pochodnych: N-metyloglicyny (NMG), N,N-dimetyloglicyny (DMG) i N,N,N-trimetyloglicyny (TMG) przy wykorzystaniu spektroskopii FTIR, z zastosowaniem cząsteczki HDO jako sondy molekularnej. Ilościowa wersja metody widm różnicowych pozwoliła na wyizolowanie widma wody zaburzonej przez substancję rozpuszczoną. Wyniki widmowe zostały skonfrontowane z obliczeniami teoretycznymi w ramach teorii...
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Electroactive polymer/graphene oxide nanostructured composites; evidence for direct chemical interactions between PEDOT and GOx
PublicationThis work concerns electrochemical synthesis of nanocomposites consisting of conducting polymer and reduced graphene oxide (rGOx) as electrode materials for supercapacitors. The electrosynthesis was performed in an aqueous solution of the 3,4-ethylenedioxytiophene (EDOT) monomer and graphene oxide (GOx) without supporting electrolyte. The amount of GOx was optimized to obtain the best electrochemical performance of the nanocomposite...
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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublicationMembers of a novel class of anticancer compounds, exhibiting high antitumor activity, i.e. the unsymmetrical bisacridines (UAs), consist of two heteroaromatic ring systems. One of the ring systems is an imidazoacridinone moiety, with the skeleton identical to the structural base of Symadex. The second one is a 1-nitroacridine moiety, hence it may be regarded as Nitracrine’s structural basis. These monoacridine units are connected...
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Human serum interactions with phenolic and aroma substances of Kaffir(Citrus hystrix) and Key lime (Citrus aurantifolia) juices
PublicationTo understand the therapeutic application of polyphenols extracted from Kaffir (PolKaf) and Key (PolKey) limesdifferent analytical methods were applied. Based on quantitative analysis by two dimensional gas chromato-graphy (GC×GC) and time of flight mass spectrometry (TOFMS) it can be observed that the biggest differencesin the contents of selected terpenes of Kaffir and Key limes occur in chemical compounds such as limonene, citraland...
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Perceived neighborhood disorder and quality of life: The role of the human-place bond, social interactions, and out-group blaming.
PublicationFour studies were carried out to examine how neighborhood disorder, human-place bonds, relationships among neighbors, and urban quality of life are related and what role blaming nonresidents plays in these relationships. In the first study, local identity was a significant mediator of the relationship between neighborhood disorder and quality of life. In the second study, we found that participants exposed to vignettes describing...
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Exactly solvable model of two trapped quantum particles interacting via finite-range soft-core interactions
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An Influence of the Aromatic Side Chains Conformations in Positions 2 and 3 of Vasopressin Analogs on Interactions with Vasopressin and Oxytocin Receptors
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Current View on Green Tea Catechins Formulations, Their Interactions with Selected Drugs, and Prospective Applications for Various Health Conditions
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Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
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Pharmacokinetics and pharmacodynamics of propofol and fentanyl in patients undergoing abdominal aortic surgery - a study of pharmacodynamic drug-drug interactions
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Interactions of vasopressin and oxytocin receptors with vasopressin analogues substituted in position 2 with 3,3′-diphenylalanine - a molecular docking study
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Self-assembly and interactions of short antimicrobial cationic lipopeptides with membrane lipids: ITC, FTIR and molecular dynamics studies
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Correlational nutritional relationships and interactions between expansive holoparasite Orobanche laxissima and woody hosts on metal-rich soils
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Tipping point in plant–fungal interactions under severe drought causes abrupt rise in peatland ecosystem respiration
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Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublicationSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
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Ionic liquids: predictions of physicochemical properties with experimental and/or DFT-calculated LFER parameters to understand molecular interactions in solution
PublicationPublikacja zawiera modele pozwalające na przewidywanie współczynnika podziału oktanol-woda (log P), rozpuszczalności w wodzie oraz krytycznego stężenia micelizacji (CMC) cieczy jonowych oraz współczynników aktywności anionowej i hydrofobowości w wodzie i w mieszaninie oktanolu z wodą. Modele oparte są na liniowych zależnościach energii swobodnej (LFER) i wykorzystują parametry zmierzone i/lub wyliczone na podstawie funkcjonalnej...
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublicationCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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Effects of different external carbon sources and electron acceptors on interactions between denitrification and phosphorus removal in BNR processes
PublicationThe effects of two different external carbon sources (acetate, ethanol) and electron acceptors (dissolved oxygen, nitrate and nitrite) were investigated under aerobic and anoxic conditions with non-acclimated process biomass from a full-scale biological nutrient removal activated sludge system. When acetate was added as an external carbon source, phosphate release was observed even in the presence of electron acceptors. The release...
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Understanding the interactions between protein stabilizers and the peptide bond through the analysis of the volumetric and compressibility properties for the model systems
PublicationThis work confirms our earlier supposition, that volumetric and acoustic parameters for simple model proposed by us are directly related to stabilizing/destabilizing effect of osmolytes on proteins structure. The apparent molar volumes, V and the apparent molar isentropic compressions, KS,, of glycine and N,N,N –trimethylglycine (betaine) were determined from densities and speed of sound measurements in aqueous solution of N-methylacetamide...
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Adapting a general tool to monitoring multi-agent systems through virtual host layer extenstion = Rozszerzenie typowego narzędzia o warstwę hosta wirtualnego w celu monitorowania systemów agentowych
PublicationNagios to bezpłatne oprogramowanie do monitorowania infrastruktury IT. Nie jest ono dostosowane do monitorowania systemów agentowych, gdyż agenty mogą swobodnie podejmować lub zarzucać realizację działań, czy zmieniać pełnioną rolę. Bogate możliwości konfigurowania Nagios pozwalają poszerzyć jego możliwości. Artykuł przedstawia i weryfikuje konfigurację oraz rozszerzenie Nagios, umożliwiające monitorowanie systemów agentowych.
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Piotr Lorens prof. dr hab. inż. arch.
PeopleProf. Piotr Lorens - PhD, DSc., urban planner. Lecturer in urban design and development and - since 2007 - Head of the Department of Urban Design and Regional Planning at the Faculty of Architecture, Gdansk University of Technology. His university activities also include coordination of the research and EU Social Fund projects. Based on these projects he was responsible for organization and coordination of the post-graduate studies...
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Aryl-perfluoroaryl stacking interactions: hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N'-diaryloxalamides
PublicationOtrzymano kilka struktur supramolekularnych N,N'-diarylooksamidów z silnymi donorami protonów tj. pentafluorofenolem (pfp) i kwasem pentafluorobenzoesowym (pfba), w celu zilustrowania roli współdziałania wiązań wodorowych i oddziaływań pi-elektronowych w tworzeniu uporządkowanych faz stałych. Wprowadzenie do struktury oksamidów objętościowych podstawników arylowych utrudniało tworzenie występujących pomiędzy cząsteczkami oksamidów...
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Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl-perfluoroaryl interactions
PublicationWspółkrystalizacja pentafluorojodobenzenu z metylowymi pochodnymi pirydyny prowadzi do powstania heterodimerów stabilizowanych wiązaniem halogenowym C-I...N, które organizują się w dwuwymiarowe struktury typu brick-wall, utrzymywane oddziaływaniami pi-pi pomiędzy jednostkami arylowymi i perfluoroarylowymi.
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Characterization of the interactions between human high-molecular-mass kininogen and cell wall proteins of pathogenic yeasts, Candida tropicalis
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Potent antidiuretic agonists, deamino-vasopressin and desmopressin, and theirinversoanalogs: NMR structure and interactions with micellar and liposomic models of cell membrane
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Interactions between amphotericin B 3-(N',N'-dimethylamino)propyl amide and cellular membrane components in Langmuir monolayers
PublicationPublikacja zawiera charakterystykę monowarstw Langmuir'a tworzonych przez pochodną amfoterycyny B tj.amid 3-(N',N'-dimetyloamino)propylowy (AMA) oraz wyniki badań nad jej oddziaływaniem z cholesterolem, ergosterolem i fosfolipidami. Znaleziono, iż stan jonowy cząsteczki pochodnej AMA, a także jej wielkość mają znaczący wpływ na właściwości biologiczne związku.
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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublicationOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Wiktoria Wojnicz dr hab. inż.
PeopleDSc in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2019 PhD in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2009 (with distinction) List of papers (2009 - ) Wojnicz W., Wittbrodt E., Analysis of muscles' behaviour. Part I. The computational model of muscle. Acta of Bioengineering and Biomechanics, Vol. 11, No.4, 2009, p. 15-21 Wojnicz W., Wittbrodt E., Analysis of...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publication1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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International Conference on Advances in Computer-Human Interactions
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Microwave plasma treatment of simulated biomass syngas: Interactions between the permanent syngas compounds and their influence on the model tar compound conversion
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Novel Cell Permeable Polymers of N-Substituted L-2,3-Diaminopropionic Acid (DAPEGs) and Cellular Consequences of Their Interactions with Nucleic Acids
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Biochar-mediated transformation of titanium dioxide nanoparticles concerning TiO2NPs-biochar interactions, plant traits and tissue accumulation to cell translocation
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublicationThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublicationGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
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JOURNAL OF MUSCULOSKELETAL & NEURONAL INTERACTIONS
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A novel in vitro assay for assessing efficacy and toxicity of antifungals using human leukaemic cells infected with Candida albicans
PublicationAims: This study describes a novel in vitro assay that simultaneously determines antifungal efficiency and host cell toxicity using suspensions of human leukaemic cells (HL-60) infected with Candida albicans. Methods and Results: The effect of Candida infection on host cell viability was evaluated by the microscopy of trypan blue-stained cells and lactate dehydrogenase (LDH) activity. The in vitro ‘drug potency assay’ utilized...
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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
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Interactions between Marek’s disease virus Rispens/CVI988 vaccine strain and adenovirus field strain in chicken embryo fibroblast (CEF) cultures
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Formation of Secondary and Supersecondary Structure of Proteins as a Result of Coupling Between Local and Backbone-Electrostatic Interactions: A View Through Cluster-Cumulant Scope
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Current understanding of the effects of inspiratory resistance on the interactions between systemic blood pressure, cerebral perfusion, intracranial pressure, and cerebrospinal fluid dynamics
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Tweet you right back: Follower anxiety predicts leader anxiety in social media interactions during the SARS-CoV-2 pandemic
PublicationRecent research has shown that organizational leaders’ tweets can influence employee anxiety. In this study, we turn the table and examine whether the same can be said about followers’ tweets. Based on emotional contagion and a dataset of 108 leaders and 178 followers across 50 organizations, we infer and track state- and trait-anxiety scores of participants over 316 days, including pre- and post the onset of the SARS-CoV-2 pandemic...
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Positive and negative feedback loops in nutrient phytoplankton interactions related to climate dynamics factors in a shallow temperate estuary (Vistula Lagoon, southern Baltic)
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Impact of High Pressure on Metallophilic Interactions and Its Consequences for Spectroscopic Properties of a Model Tetranuclear Silver(I)–Copper(I) Complex in the Solid State
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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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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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Pharmacomicrobiomics of cell-cycle specific anti-cancer drugs – is it a new perspective for personalized treatment of cancer patients?
PublicationIntestinal bacteria are equipped with an enzyme apparatus that is involved in the active biotrans-formation of xenobiotics, including drugs. Pharmacomicrobiomics, a new area of pharmacology, analyses interactions between bacteria and xenobiotics. However, there is another side to the coin. Pharmacotherapeutic agents can significantly modify the microbiota, which consequently affects their efficacy. In this review, we comprehensively...
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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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