@article{MTMT:2891756, title = {Structure of the adsorption layer of various ionic and non-ionic surfactants at the free water surface, as seen from computer simulation and ITIM analysis}, url = {https://m2.mtmt.hu/api/publication/2891756}, author = {Abrankó-Rideg, Nóra and Horvai, György and Jedlovszky, Pál}, doi = {10.1016/j.molliq.2014.05.001}, journal-iso = {J MOL LIQ}, journal = {JOURNAL OF MOLECULAR LIQUIDS}, volume = {205}, unique-id = {2891756}, issn = {0167-7322}, abstract = {Molecular dynamics simulations of the adsorption layer of five different surfactant molecules, namely pentanol, octanol, dodecanol, dodecyl trimethyl ammonium chloride, and sodium dodecyl sulphate have been performed at the free surface of water at two different surface densities, namely 1 μmol/m2 (corresponding to unsaturated adsorption layer), and 4 μmol/m2 (corresponding to saturated adsorption layer), on the canonical ensemble at room temperature. The surfactants have been chosen in such a way that the effect of their headgroup charge as well as alkyl tail length on the properties of the adsorption layer can be separately investigated. The results are analysed in terms of the molecular level structure of the adsorption layer; organisation of the different groups and molecules along the macroscopic surface normal axis as well as conformation and orientation of the apolar tail is investigated in detail. In addition, the roughness of the surface of the aqueous phase is also analysed, using the ITIM method for accurately locating the real, capillary wave corrugated surface of the aqueous phase. © 2014 Elsevier B.V. All rights reserved.}, keywords = {computer simulation; SURFACTANTS; Liquid/vapour interface; Intrinsic surface analysis}, year = {2015}, eissn = {1873-3166}, pages = {9-15} } @mastersthesis{MTMT:3372016, title = {Tenzidek folyadék/gáz határfelületen kialakult adszorpciós rétegének vizsgálata számítógépes szimulációval}, url = {https://m2.mtmt.hu/api/publication/3372016}, author = {Abrankó-Rideg, Nóra}, doi = {10.15476/ELTE.2014.126}, publisher = {Eötvös Loránd University}, unique-id = {3372016}, keywords = {Doktori disszertáció; számítógépes szimuláció; modellezés határfelületi kémia; kolloidkémia; határfelületi kémia; felületaktív anyagok; adszorpció}, year = {2014} } @article{MTMT:2386689, title = {Immersion depth of surfactants at the free water surface: A computer simulation and ITIM analysis study}, url = {https://m2.mtmt.hu/api/publication/2386689}, author = {Abrankó-Rideg, Nóra and Darvas, Mária and Horvai, György and Jedlovszky, Pál}, doi = {10.1021/jp401749r}, journal-iso = {J PHYS CHEM B}, journal = {JOURNAL OF PHYSICAL CHEMISTRY B}, volume = {117}, unique-id = {2386689}, issn = {1520-6106}, abstract = {The adsorption layer of five different surfactants, namely, pentanol, octanol, dodecanol, dodecyl trimethyl ammonium chloride, and sodium dodecyl sulfate, has been analyzed on the basis of molecular dynamics simulation results at two surface densities, namely, 1 and 4 μmol/m2. The analyses have primarily focused on the question of how deeply, in terms of atomistic layers, the different surfactant molecules are immersed into the aqueous phase. The orientation and conformation of the surfactant molecules have also been analyzed. The obtained results reveal a clear difference between the immersion behavior of the alcoholic and ionic surfactants. Thus, alcoholic surfactants are found to be located right at the water surface, their apolar tails not being considerably immersed into the aqueous phase and the alcoholic headgroups being preferentially located in the surface layer of water. Ionic surfactants are immersed several layers deep into the aqueous phase, with headgroup atoms reaching the sixth-eighth and tail carbon atoms reaching the third-fourth subsurface layer in several cases. The observed difference is related, on the one hand, to the ability of the alcoholic surfactants of substituting surface water molecules in their lateral hydrogen bonding network at the water surface and that of their apolar tails for replacing dangling hydrogens and, on the other hand, to the energetic gain of the ionic headgroups if they are fully hydrated rather than being in contact with hydrocarbon tail groups. © 2013 American Chemical Society.}, keywords = {MOLECULES; computer simulation; molecular dynamics; Surface active agents; Chlorine compounds; molecular dynamics simulations; Sodium Dodecyl Sulfate; SURFACE WATERS; Ammonium Chloride; IONIC SURFACTANTS; Hydrogen bonding network; Surfactant molecules; Surface water molecules; Immersion behaviors; Free water surfaces}, year = {2013}, eissn = {1520-5207}, pages = {8733-8746} } @article{MTMT:2172299, title = {Lateral Dynamics of Surfactants at the Free Water Surface: A Computer Simulation Study}, url = {https://m2.mtmt.hu/api/publication/2172299}, author = {Abrankó-Rideg, Nóra and Darvas, Mária and Varga, Imre and Jedlovszky, Pál}, doi = {10.1021/la302998k}, journal-iso = {LANGMUIR}, journal = {LANGMUIR}, volume = {28}, unique-id = {2172299}, issn = {0743-7463}, abstract = {Molecular dynamics simulations of the adsorption layer of five different surfactant molecules, i.e., pentyl alcohol, octyl alcohol, dodecyl alcohol, sodium dodecyl sulfate, and dodecyl trimethyl ammonium chloride are performed at the free surface of their aqueous solution at two surface densities, namely 1 and 4 mu mol/m(2) at 298 K. The results are analyzed in terms of the two-dimensional single molecule dynamics, in particular, lateral diffusion of the surfactants at the liquid surface, in order to distinguish between two possible adsorption scenarios, namely the assumptions of localized and mobile surfactants. The obtained results, in accordance with the dynamical nature of the liquid phase and liquid surface, clearly support the latter scenario, as the time scale of lateral diffusion of the surfactant molecules is found to be comparable with that of the three-dimensional diffusion of water in the bulk liquid phase. The mechanism of this lateral diffusion is also investigated in detail by calculating binding energy distribution of the water molecules in the first hydration shell of the surfactant headgroups and that of the nonfirst shell surface waters, and by calculating the mean residence time of the water molecules in the first hydration shell of the surfactant headgroups. This time is found to be at least an order of magnitude smaller than the characteristic time of the lateral diffusion of the surfactants, revealing that surfactant molecules move without their first shell hydration water neighbors at the surface.}, keywords = {MOLECULAR-DYNAMICS; ADSORPTION; nonionic surfactant; AIR/WATER INTERFACE; FLUID INTERFACES; AIR-WATER; EQUATION-OF-STATE; ADSORBED MOLECULES; DILATIONAL ELASTICITY; AIR/SOLUTION INTERFACE}, year = {2012}, eissn = {1520-5827}, pages = {14944-14953}, orcid-numbers = {Varga, Imre/0000-0003-0902-1804} } @{MTMT:2053508, title = {A reakciókörülmények hatása a fluoreszcens szilika nanorészecskék tulajdonságaira}, url = {https://m2.mtmt.hu/api/publication/2053508}, author = {Abrankó-Rideg, Nóra and Varga, Imre}, booktitle = {MKE 1. Nemzeti Konferencia}, unique-id = {2053508}, year = {2011} } @CONFERENCE{MTMT:2053497, title = {Fluorescent Silica Nanoparticles: Effect of Synthesis Conditions on the Dye Incorporation into the Silica Particles}, url = {https://m2.mtmt.hu/api/publication/2053497}, author = {Abrankó-Rideg, Nóra and Imre, Varga}, booktitle = {EuroNanoForum}, unique-id = {2053497}, abstract = {The investigation of fluorescent nanoscale materials is an emerging research area due to their potential biological and photonic applications. Although every application has its own particular constraint, the fundamental requirements are the same: uniform size, brightness and stability. In order to simultaneously achieve all these criteria in a single fluorescent probe we synthesized core-shell hybrid organic/inorganic nanoparticles from organic dye molecules and silica. Here we report how the dye incorporation into the silica nanoparticles can be maximized by tuning the reaction conditions of the nanoparticle synthesis. Silica nanoparticles were prepared by the Stöber method, which is based on the hydrolyzes and condensation of tetraethylortosilicate (TEOS) in ethanol in the presence of water and ammonia as an alkaline catalyst. To ensure the chemical coupling of the dye molecule to the silica matrix a fluorescent hybrid precursor was prepared by coupling the amine-reactive dye molecule (fluoresceinisothiocyanate) to 3-aminopropyltrialkoxysilane (methoxy and ethoxy). The coupling reaction was performed both in methanol and ethanol solutions. The produced conjugates were identified by HPLC-MS measurements. The nanosilica synthesis was performed using the dye conjugates prepared in the various coupling reactions and their conversion, as well as the formation of the silica nanoparticles were followed during the synthesis. It was found that due to the different hydrolysis rates of the various alkoxy silanes the dye was incorporated in the silica nanoparticles much more efficiently when fluoresceinisothiocyanate-3-aminopropytrimethoxysilane (FITC-APTMS) conjugate was used as dye precursor . We have also investigated the effect of temperature and ammonia concentration on the efficiency of the dye incorporation. It was found that by increasing the amount of the alkaline catalyst the dye incorporation becomes more effective however, it also results in the formation of considerably larger silica particles. In contrast, higher reaction temperatures make the dye incorporation not only more efficient but also give rise to smaller nanoparticle size.}, year = {2011} } @CONFERENCE{MTMT:2053512, title = {Optimization of the fluorescent dye incorporation intosilica nanoparticles}, url = {https://m2.mtmt.hu/api/publication/2053512}, author = {Abrankó-Rideg, Nóra and Gilányi, Tibor and I, Varga}, booktitle = {XIVth International Symposium on Fluorescence Spectrometry – Recent advances of luminescence techniques in research and modern technology}, unique-id = {2053512}, year = {2010}, pages = {147} } @CONFERENCE{MTMT:2053520, title = {Pictures of an Exhibition - a possible way to make chemistry more popular}, url = {https://m2.mtmt.hu/api/publication/2053520}, author = {Abrankó-Rideg, Nóra and Attila, Pavlath and Veronika, Nemeth}, booktitle = {9th European Conference on Research In Chemical Education}, unique-id = {2053520}, year = {2008}, pages = {249-250} } @article{MTMT:2053876, title = {Egy kiállítás képei}, url = {https://m2.mtmt.hu/api/publication/2053876}, author = {Abrankó-Rideg, Nóra and Németh, Veronika}, journal-iso = {A KÉMIA TANÍTÁSA}, journal = {A KÉMIA TANÍTÁSA: MÓDSZERTANI FOLYÓIRAT}, volume = {4}, unique-id = {2053876}, issn = {1216-7576}, year = {2007}, pages = {17-19} } @{MTMT:2053524, title = {"Egy kiállítás képei" - avagy a kémia népszerűsítésének egy lehetséges módja}, url = {https://m2.mtmt.hu/api/publication/2053524}, author = {Abrankó-Rideg, Nóra}, booktitle = {XXX. Kémiai Előadói Napok}, unique-id = {2053524}, year = {2007} }