Filters
total: 1085
-
Catalog
displaying 1000 best results Help
Search results for: HOST–GUEST INTERACTIONS
-
MIC/MBC values of the investigated extracts of propolis. Interactions of selected extracts with azoles and echinocandins.
Open Research DataThis dataset contains results of our investigation aiming in determination of antimicrobial potential of the propolis extracts produced in our laboratory. The propolis samples were delivered by Polish beekeepers. Moreover in this dataset we presented results of our investigation aiming in assessment of interaction of the selected extracts of propolis...
-
Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublicationAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
-
Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
-
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
PublicationBy the reaction of benzoyl chloride, potassium isothiocyanate and the appropriate halogenoaniline, i.e. 2/3/4-(bromo/iodo)aniline, we have obtained five new 1-benzoyl-3-(halogenophenyl)thioureas, namely, 1-benzoyl-3-(2-bromophenyl)- thiourea and 1-benzoyl-3-(3-bromophenyl)thiourea, C14H11BrN2OS, and 1-benzoyl-3-(2-iodophenyl)thiourea, 1-benzoyl-3-(3-iodophenyl)thiourea and 1-benzoyl-3-(4-iodophenyl)thiourea, C14H11IN2OS. Structural...
-
Quantitative fluorescent determination of DNA – Ochratoxin a interactions supported by nitrogen-vacancy rich nanodiamonds
PublicationOchratoxin A (OTA) is a hazardous contaminant of a large variety of plant and animal originated food. Herein, we report an interaction of OTA with calf thymus DNA (ct DNA) on the nanodiamond surface. We employed multispectroscopic techniques to elucidate the binding mechanism of OTA with ct DNA. The fluorescence and UV–Vis spectroscopy results show that OTA binds to ds ct DNA and forms complexes. We obtained the binding constants...
-
The importance of diurnal and nocturnal activity and interspecific interactions for space use by ants in clear-cuts
Publication -
Is the Identification of SNP-miRNA Interactions Supporting the Prediction of Human Lymphocyte Transcriptional Radiation Responses?
Publication -
A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
Publication -
Influence of the substituent on amide nitrogen atom of N-acetyl tyrosine on interactions with β-cyclodextrin
Publication -
The role of the LB structural loop and its interactions with the PDZ domain of the human HtrA3 protease
Publication -
Effect of chitosan on the interactions between phospholipid DOPC, cyclosporine A and lauryl gallate in the Langmuir monolayers
Publication -
Electroanalytical and spectroscopic procedures for examination of interactions between double stranded DNA and intercalating drugs
PublicationPrzedstawiono metodę elektrochemicznego opisu oddziaływań dsDNA ze związkiem biologicznie czynnym w warunkach, w których zarówno badany związek jak i cząsteczka DNA są w roztworze elektrolitu. Opracowano warunki pomiaru, gdzie ani związek, ani DNA nie adsorbuje na elektrodzie. Wykazano, podobnie jak podczas badania innymi metodami, że oddziaływania są dwojakiego rodzaju: elektrostatyczne i poporzez interkalację.
-
Initial Investigation of Wave Interactions During Simultaneous Valve Closures in Hydraulic Piping Systems
PublicationThe effects of interference of pressure waves in simple piping systems were studied. A freeware computer code Allievi developed at the University of Valencia was used to simulate dynamic waveforms in simple and complex networks. The tests were carried out according to three scenarios. No pressure increases significantly exceeding the Joukowsky pressure in simple cases were noticed. When the effects of the simultaneous closing of...
-
Cross-Cultural Interactions between Expatriates and Local Managers in the Light of Positive Organizational Behaviour
PublicationThe main purpose of this article is to identify the ‘individual positive deviance’ presented by expatriates and local managers in their mutual cooperation. The theoretical basis for the publication is the discussion of the Positive Organizational Behaviour (POB) essence and the application of this approach in the area of expatriation. Attitudes, behaviour, working style and personality traits of employees of different nationalities...
-
Statistical Method for Analysis of Interactions Between Chosen Protein and Chondroitin Sulfate in an Aqueous Environment
PublicationWe present the statistical method to study the interaction between a chosen protein and another molecule (e.g., both being components of lubricin found in synovial fluid) in a water environment. The research is performed on the example of univariate time series of chosen features of the dynamics of mucin, which interact with chondroitin sulfate (4 and 6) in four different saline solutions. Our statistical approach is based on recurrence...
-
Monomeric Triphosphinoboranes: Intramolecular Lewis Acid–Base Interactions between Boron and Phosphorus Atoms
PublicationHerein, we present the synthesis of the first fully characterized monomeric triphosphinoboranes. The simple reaction of boron tribromide with three equivalents of bulky lithium phosphide tBu2PLi yielded triphosphinoborane (tBu2P)3B. Triphosphinoboranes with diversified phosphanyl substituents were obtained via a two-step reaction, in which isolable bromodiphosphinoborane (tBu2P)2BBr is first formed and then reacts with one equivalent...
-
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,...
-
The description of non-linear interactions of wave and non-wave modes in a non-adiabatic plasma flow
PublicationThe method of derivation of non-linear equations for interacting modes is explained and applied to a plasma's flow affected by a magnetic field. It is based on the linear projecting of the total perturbation field into specific variations of variables in individual modes of a flow. The method may be applied in many examples of fluid flows with different mechanisms of non-adiabaticity. It is of special importance in complex flows...
-
Towards Temperature Dependent Coarse-grained Potential of Side-chain Interactions for Protein Folding Simulations
Publication -
A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions
Publication -
Multi-layer graphene oxide alone and in a composite with nanosilica: Preparation and interactions with polar and nonpolar adsorbates
Publication -
Assessing the Interactions of Statins with Human Adenylate Kinase Isoenzyme 1: Fluorescence and Enzyme Kinetic Studies
Publication -
Human–environment interactions in medieval Poland: a perspective from the analysis of faunal stable isotope ratios
Publication -
Synergistic interactions and reaction mechanisms of biochar surface functionalities in antibiotics removal from industrial wastewater
Publication -
Application of an extended DLVO theory for the calculation of the interactions between emulsified oil droplets in alcohol solutions
Publication -
Air bubble and oil droplet interactions in centrifugal fields during air-sparged hydrocyclone flotation
PublicationWzajemne oddziaływania pęcherzyka powietrza i kropli oleju w polu siły odśrodkowej były rozpatrywane w odniesieniu do warunków procesowych obecnych podczas flotacji za pomocą hydrocyklonu. Efektywności zetknięcia się kropli oleju z pęcherzykami powietrza zostały zidentyfikowane jako znacząco mniejsze w porównaniu do efektywności zetknięcia się cząstek minerałów. Wyznaczono czasy zderzenia i styku ślizgowego. Chociaż przyczepność...
-
Interactions of amphotericin B derivative of low toxicity with biological membrane components - the Langmuir monolayer approach
PublicationMetodą monowarstw Langmuira zbadano naturę oddziaływań nowej pochodnej antybiotyku przeciwgrzybowego amfoterycyny B o niskiej toksyczności, tj. estru metylowego N-metylo-N-D-fruktopiranozyloamfoterycyny B (MF-AME)z komponentami błon biologicznych: ergosterolem, występującym w komórkach grzybowych i cholesterolem występującym w komórkach zwierzęcych oraz z modelowym fosfolipidem DPPC i na tej podstawie stwierdzono, że zróżnicowanie...
-
Supramolecular Assemblies of Hydrogen Bonded Carboxylic Acid Dimers Mediated by Phenyl-Pentafluorophenyl Stacking Interactions.
PublicationKwas pentafluorobenzoesowy tworzy heterodimery z kwasami benzoesowym i 2,4,6-trimetylobenzoesowym w wyniku oddziaływań typu pi-pi reszt fenylowych i pentafluorofenylowych. Otrzymane kokryształy wymienionych kwasów z 1,4-bisarylobutadiynami zawierały homodimery tworzone przez cząsteczki kwasów, pomiędzy którymi znajdowały się cząsteczki diarylodiacetylenów.
-
Metal–metal interactions in bent cyano-bridged trinuclear octacyanomolybdate(IV)–platinum(IV) complexes
Publication -
Interactions between components of SrTi0.98 Nb0.02O3-δ-YSZ and SrTi0.98 Nb0.02O3-δ -CeO2 composites
PublicationComposites consisting of SrTiO3-based perovskite and either yttria-stabilized zirconia or ceria were investigated. The mechanical compatibility and possible inter-diffusion between phases were characterized by scanning electron microscopy, X-ray diffraction, and energy-dispersive X-ray spectroscopy. A gradual disappearance of Ce-containing phases with an increase in the temperature of reduction in hydrogen was noticed. Moreover,...
-
Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
-
Application of the Harmonic Balance Method for Spatial Harmonic Interactions Analysis in Axial Flux PM Generators
Publication -
Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
-
Antibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers
PublicationAromatic heptaene macrolides (AHMs) belong to the group of polyene macrolide antifungal antibiotics. Members of this group were the first to be used in the treatment of systemic fungal infections. Amphotericin B (AmB), a non-aromatic representative of heptaene macrolides, is of significant clinical importance in the treatment of internal mycoses. It includes the all-trans heptaene chromophore, whereas the native AHMs contain two...
-
Proton-Electron Hole Interactions in Sr(Ti,Fe)O3−δ Mixed-Conducting Perovskites
PublicationOxides in which total electrical conductivity is determined by the partial conductivities of three types of charge carriers i.e. holes/ electrons, oxygen ions, and protons are key components of well-functioning proton ceramic fuel cells. Apart from electrochemical properties also easily modified microstructure is an important feature of the electrodes. In the paper, a group of SrTi1−xFexO3−δ (STF, x = 0.2–0.8) perovskites prepared...
-
Theoretical investigation of the structural insights of the interactions of γ-Fe2O3 nanoparticle with (EMIM TFSI) ionic liquid
PublicationOne of the possible applications of ionic liquids is to produce electricity from heat. The iron oxide nanoparticle is a potent electrical particle, which is expected to improve the heat’s efficiency to electricity conversion, however, it is prone to aggregation and sedimentation, which hamper its application. One of the methods to enhance the nanoparticle’s solubility and electrical properties is the use of a stabilizing component...
-
GTR/Thermoplastics Blends: How Do Interfacial Interactions Govern Processing and Physico-Mechanical Properties?
PublicationIn this work, GTR/thermoplastics blends (in ratio 50/50 and 75/25 wt.%) were prepared by melt-compounding in an internal mixer. During research, trans-polyoctenamer rubber (TOR), ethylene-vinyl acetate copolymer (EVA), ethylene-octene copolymer (EOC), and linear low-density polyethylene (LLDPE), were used in their thermoplastic phase. Microstructure and processing-performance property interrelationships of the studied materials...
-
Charge distribution and magnetic interactions in PrBa2Cu3O7 with substitutional defects and oxygen disorder: the ab initio approach
PublicationW artykule zaprezentowano rezultaty kwantowomechanicznych obliczeń ''ab initio: struktury elektronowej układu PrBa2Cu3O7 zawierającego defekty substytucyjne (Pr_Ba) w podsieci barowo-tlenowej oraz wykazującego zaburzoną stechiometrię tlenową (O5). Badane defekty są odpowiedzialne za redystrybucję ładunku w układzie. Defekty Pr_Ba generują silnie zlokalizowane momenty magnetyczne, które oddziałują głównie na płaszczyzny miedziowo-tlenowe.
-
Convivium-Exchanges and Interactions in the Arts of Medieval Europe Byzantium and the Mediterranean
Journals -
Comparative genomics, pangenomics, and phenomic studies of Pectobacterium betavasculorum strains isolated from sugar beet, potato, sunflower, and artichoke: insights into pathogenicity, virulence determinants, and adaptation to the host plant
Publication -
Synthesis, characterization, and interactions of single-walled carbon nanotubes modified with doxorubicin with Langmuir–Blodgett biomimetic membranes
PublicationThe synthesis, characterization, and the influence of single-walled carbon nanotubes (SWCNTs) modified with an anticancer drug doxorubicin (DOx) on the properties of model biological membrane as well as the comparison of the two modes of modification has been presented. The drug was covalently attached to the nanotubes either preferentially on the sides or at the ends of the nanotubes by the formation of hydrazone bond. The efficiency...
-
Long-term changes in the Leucobryo-Pinetum community: interactions between the tree-stand, understorey and moss layer
Publication -
The influence of electron-electron and electron-phonon interactions on electron charge orderings in quasi-one-dimensional systems
Publication -
Genetic Determinants of Antagonistic Interactions and the Response of New Endophytic Strain Serratia quinivorans KP32 to Fungal Phytopathogens
Publication -
Analysis of mixing rules for the Stillinger-Weber potential: a case study of Ge-Si interactions in the liquid phase
PublicationCiekły stop Ge_{0.25}Si_{0.75} symulowano metodą dynamiki molekularnej, przy użyciu potencjału Stillingera-Webera. Badano wpływ parametryzacji członu potencjału odpowiedzialnego za oddziaływania trójciałowe w trójkach nieidentycznych atomów na strukturę symulowanego stopu. Wpływ ten okazał się być znaczący.Zmiany w parametrach rzędu kilku procent skutkowały istotnymi różnicami w parowych funkcjach rozkładu, kątowych funkcjach rozkładu...
-
Synthesis, characteristics and mechanistic insight into the clays and clay minerals-biochar surface interactions for contaminants removal-A review
Publication -
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...
-
Interactions of Nitroaromatic Compounds with the Mammalian Selenoprotein Thioredoxin Reductase and the Relation to Induction of Apoptosis in Human Cancer Cells
Publication -
A concerted evolution of supramolecular interactions in a {cation; metal complex; π-acid; solvent} anion-π system
Publication -
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...