@CONFERENCE{MTMT:34271518, title = {7Li-NMR relaxációs módszerek alkalmazása lítium-levegő akkumulátorok határfelületeinek vizsgálatára}, url = {https://m2.mtmt.hu/api/publication/34271518}, author = {Nyul, Dávid and Nagy, Lajos and Kuki, Ákos and Nagy, Tibor and Bányai, István and Zsuga, Miklós and Kéki, Sándor}, booktitle = {XXIX. Nemzetközi Vegyészkonferencia / 29th International Conference on Chemistry}, unique-id = {34271518}, abstract = {A modern kor egyik legégetőbb problémája a megtermelt energia tárolása, hiszen megfelelő tárolókapacitás nélkül nem képzelhető el olyan elektromos hálózat, ami tisztán megújuló energiaforrásokkal üzemel. A különböző kémiájú akkumulátorok közt a lítium-ion alapú cellák kimagaslóan nagy fajlagos és volumetrikus energiasűrűséggel rendelkeznek. A legnagyobb energiasűrűséggel a lítium-levegő akkumulátor rendelkezik. Az NMR spektroszkópia egy igen gyorsan fejlődő és sokoldalú szerkezetvizsgáló és képalkotó módszercsalád. Szilárd fázisú NMR technikákkal már vizsgálták az elektródanyagok és az alkálifémek kölcsönhatását, például porózus szénben interkalált nátrium vagy grafitban interkalált lítium viselkedését. A szilárd fázisú módszereknek viszont nagy hátránya, hogy nem tudják ezeket a rendszereket valós körülmények közt vizsgálni. A folyadék fázisú NMR módszerek közvetlen információt nem képesek szolgáltatni egy szilárd anyagról, de a felület és a folyadék fázis közti kölcsönhatások vizsgálatával értékes többletinformációt nyerhetünk az adott rendszerről. Minden alkálifémnek van NMR aktív izotópja és ezek az izotópok kivétel nélkül kvadrupólusmagok. A kvadrupólus csatolás megjelenése oldat fázisban nem lehetséges, hiszen az alkálifém ionok gyors mozgása és rotációja miatt a kvadrupólus kölcsönhatások kiátlagolódnak. Ha az alkálifém-ion egy lassan mozgó részecskéhez vagy egy felülethez kötődik, akkor a rotációja eléggé lelassul ahhoz, hogy kvadrupólus relaxáció is megfigyelhető legyen. A kvadrupólus vagy többkvantum (MQ) relaxációs útvonalak detektálása MQ szűrők segítségével vagy TQTPPI (triplakvantum időarányos fázistolás) szekvencia segítségével történhet.}, year = {2023}, pages = {59-60}, orcid-numbers = {Nagy, Tibor/0000-0001-8568-914X; Bányai, István/0000-0002-6260-9175} } @article{MTMT:34151774, title = {Synthesis and Characterization of Carboxymethylated Polyethylenimines}, url = {https://m2.mtmt.hu/api/publication/34151774}, author = {Novák, Levente and Miklósi, Tamás Sándor and Nyul, Dávid and Shi, Xiangyang and Bányai, István}, doi = {10.1021/acsapm.3c01090}, journal-iso = {ACS APPL POLYM MATER}, journal = {ACS APPLIED POLYMER MATERIALS}, volume = {5}, unique-id = {34151774}, issn = {2637-6105}, year = {2023}, eissn = {2637-6105}, pages = {7208-7219}, orcid-numbers = {Shi, Xiangyang/0000-0001-6785-6645; Bányai, István/0000-0002-6260-9175} } @article{MTMT:34090611, title = {State and role of water confined in cement and composites modified with metakaolin and additives}, url = {https://m2.mtmt.hu/api/publication/34090611}, author = {Papp, Vanda and Janovics, Róbert and Kertész, Tamás Péter and Nemes, Zoltán and Fodor, Tamás and Bányai, István and Kéri, Mónika}, doi = {10.1016/j.molliq.2023.122716}, journal-iso = {J MOL LIQ}, journal = {JOURNAL OF MOLECULAR LIQUIDS}, volume = {388}, unique-id = {34090611}, issn = {0167-7322}, abstract = {Cement as a porous material contains pores and cracks on the whole nanoscale forming an interconnected pore structure. Its interaction with water during the rehydration of cement plays a key role in every application, such as in nuclear waste treatment, where cement binders are commonly used for conditioning liquid radioactive waste. In the prediction of the long-term disposal the knowledge of water mobility and distribution in the formed porous cement matrix is essential. In this study we systematically investigate the effects of metakaolin and several components of the liquid phase (complexing agents, model ions, boric acid, etc.) on the hydrated solid structure by various nuclear magnetic resonance (NMR) methods. The novelty lies in the complex use of such non-conventional techniques that separately provide only partial information of the cement structure; however, the gained results complete each other to offer a new approach in the structural study under several conditions. Water mobility is deduced from NMR T2 relaxation distributions and D2O-H2O exchange diffusion measurements, and the conclusion on structural properties is supported by the macropore structure revealed from NMR cryoporometry and SEM (scanning electron microscopy) images, as well as by following the formation of pores and water domains in the curing process with NMR relaxometry. The results confirm that metakaolin was built into the CSH (calcium silicate hydrate) gel region without altering its mesoporous structure, however, it significantly decreased the capillary pore size and the diffusion coefficient of water. Complexing agent concentration between 2 and 20 g/l and the presence of model ions did not cause significant structural changes, while the rehydration decreased the size of capillary pores due to swelling.}, year = {2023}, eissn = {1873-3166}, orcid-numbers = {Bányai, István/0000-0002-6260-9175; Kéri, Mónika/0000-0001-9095-8295} } @article{MTMT:33564840, title = {Joó Pál (1942–2022)}, url = {https://m2.mtmt.hu/api/publication/33564840}, author = {Bányai, István}, journal-iso = {MAGY KEM LAP}, journal = {MAGYAR KÉMIKUSOK LAPJA}, volume = {77}, unique-id = {33564840}, issn = {0025-0163}, year = {2022}, eissn = {1588-1199}, pages = {380-380}, orcid-numbers = {Bányai, István/0000-0002-6260-9175} } @article{MTMT:33552464, title = {Bemutatkozás, út a Polányi-díjhoz}, url = {https://m2.mtmt.hu/api/publication/33552464}, author = {Bányai, István}, journal-iso = {MAGY KEM LAP}, journal = {MAGYAR KÉMIKUSOK LAPJA}, volume = {77}, unique-id = {33552464}, issn = {0025-0163}, year = {2022}, eissn = {1588-1199}, pages = {289-290}, orcid-numbers = {Bányai, István/0000-0002-6260-9175} } @article{MTMT:33171187, title = {A Simple Elimination of the Thermal Convection Effect in NMR Diffusiometry Experiments}, url = {https://m2.mtmt.hu/api/publication/33171187}, author = {Nyul, Dávid and Novák, Levente and Kéri, Mónika and Bányai, István}, doi = {10.3390/molecules27196399}, journal-iso = {MOLECULES}, journal = {MOLECULES}, volume = {27}, unique-id = {33171187}, issn = {1420-3049}, abstract = {Thermal convection is always present when the temperature of an NMR experiment is different from the ambient one. Most often, it falsifies the value of the diffusion coefficient determined by NMR diffusiometry using a PGSE NMR experiment. In spite of common belief, it acts not only at higher temperatures but also at temperatures lower than in the laboratory. Sodium alkyl-sulfate monomers and micelles in D2O solvent were used as model molecules measured at T = 319 K in order to show that thermal convection sometimes remains hidden in experiments. In this paper, we demonstrate that the increase in apparent diffusion coefficient with increasing diffusion time is a definite indicator of thermal convection. Extrapolation to zero diffusion time can also be used to obtain the real diffusion coefficient, likewise applying the less sensitive pulse sequences designed for flow compensation or the expensive hardware, e.g., sapphire or Shigemi NMR tubes, to decrease the temperature gradient. Further, we show experiments illustrating the effect of a long diffusion time in which the periodic changes of the echo intensity with gradient strength appear as predicted by theories.}, year = {2022}, eissn = {1420-3049}, orcid-numbers = {Kéri, Mónika/0000-0001-9095-8295; Bányai, István/0000-0002-6260-9175} } @article{MTMT:32874378, title = {Intelligent design of iron-doped LDH nanosheets for cooperative chemo-chemodynamic therapy of tumors}, url = {https://m2.mtmt.hu/api/publication/32874378}, author = {Zhang, Luyao and Li, Gaoming and Ouyang, Zhijun and Yang, Rui and Gao, Yue and Cao, Xueyan and Bányai, István and Shi, Xiangyang and Guo, Rui}, doi = {10.1039/d2bm00102k}, journal-iso = {BIOMATER SCI-UK}, journal = {BIOMATERIALS SCIENCE}, volume = {10}, unique-id = {32874378}, issn = {2047-4830}, abstract = {Chemodynamic therapy (CDT) has received increasing attention due to its unique tumor microenvironment (TME) responsiveness and minimal adverse side effects, but the therapeutic effect of CDT alone is always limited due to the low Fenton or Fenton-like reaction efficiency at tumor sites. Herein, Fe-doped layered double hydroxide (LDH) nanosheets were synthesized to load the anticancer drug epigallocatechin-3-O-gallate (EGCG) and then conjugated with boronic acid-modified hyaluronic acid for targeted and cooperative chemo-chemodynamic therapy of tumors. The formed LDH-EGCG-HA nanoplatforms could specifically target tumor cells overexpressing CD44 receptors, quickly release iron ions and EGCG in the TME, and efficiently generate toxic hydroxyl radicals with the acceleration of Fe3+/Fe2+ cycling in the Fenton reaction by EGCG. The cooperative cancer cell inhibition effect through chemotherapy and chemodynamic therapy was achieved by the significant upregulation of caspase-3 and p53 expression to induce cell apoptosis, and the deactivation of xCT and GPX-4 to inhibit GSH synthesis and reduce lipid peroxides for reinforced ferroptosis. In vivo experiments further verified that the intelligently designed LDH-EGCG-HA nanoplatforms had a superior biocompatibility with normal organs with an excellent inhibition efficacy towards tumors overexpressing CD44 receptors by targeted chemo-chemodynamic therapy.}, year = {2022}, eissn = {2047-4849}, pages = {2029-2039}, orcid-numbers = {Li, Gaoming/0000-0002-7278-0777; Cao, Xueyan/0000-0003-4366-8943; Bányai, István/0000-0002-6260-9175} } @article{MTMT:32546275, title = {Interaction of resorcinol-formaldehyde carbon aerogels with water: A comprehensive NMR study}, url = {https://m2.mtmt.hu/api/publication/32546275}, author = {Kéri, Mónika and Nyul, Dávid and Nagyné László, Krisztina and Novák, Levente and Bányai, István}, doi = {10.1016/j.carbon.2021.12.045}, journal-iso = {CARBON}, journal = {CARBON}, volume = {189}, unique-id = {32546275}, issn = {0008-6223}, abstract = {Carbon aerogels prepared from resorcinol-formaldehyde aerogels are promising platforms for electrodes, catalysts, adsorbents in environmental chemistry and as electric conductors. For these applications the knowledge of their structure and behavior in aqueous medium is essential. In this work two resorcinol-formaldehyde (RF) carbon aerogels prepared in different ways were characterized with various NMR methods while their pore structure was stepwise saturated with water. The wetting properties were studied by vapor adsorption and low-field NMR relaxometry, while the morphology was followed by NMR cryoporometry during the hydration process. At several water saturation levels the self-diffusion of water was measured. The comprehensive evaluation of the results led to a detailed description of the wetting process of these carbon aerogels beyond the pore size distributions. At low hydration level water clusters formed on and around the hydrophilic functional groups of the surface being able to adsorb water, but no continuous water layer developed on the surface. With increasing water content, spherical water drops formed inside the pore system, and vapor phase diffusion was observed in the partially filled pores. Subsequently the interconnected pore structure was saturated. The determined wet structure was compared to low temperature nitrogen gas adsorption results and scanning electron microscopy images.}, year = {2022}, eissn = {1873-3891}, pages = {57-70}, orcid-numbers = {Kéri, Mónika/0000-0001-9095-8295; Nagyné László, Krisztina/0000-0003-4499-3983; Bányai, István/0000-0002-6260-9175} } @article{MTMT:32219957, title = {Exploring Cyclic Aminopolycarboxylate Ligands for Sb(III) Complexation: PCTA and Its Derivatives as a Promising Solution}, url = {https://m2.mtmt.hu/api/publication/32219957}, author = {Molnár, Enikő and Lihi, Norbert and Gál, Gyula Tamás and De, Sourav and Bombicz, Petra and Bányai, István and Szikra, Dezső and Dénes, Eleonóra and Tircsó, Gyula and Tóth, Imre and Kálmán, Ferenc Krisztián}, doi = {10.1021/acs.inorgchem.1c01765}, journal-iso = {INORG CHEM}, journal = {INORGANIC CHEMISTRY}, volume = {60}, unique-id = {32219957}, issn = {0020-1669}, year = {2021}, eissn = {1520-510X}, pages = {14253-14262}, orcid-numbers = {Lihi, Norbert/0000-0003-2986-2395; De, Sourav/0000-0003-3014-8084; Bombicz, Petra/0000-0002-5509-1515; Bányai, István/0000-0002-6260-9175; Tircsó, Gyula/0000-0002-7896-7890; Tóth, Imre/0000-0001-6718-9977} } @article{MTMT:32138794, title = {Complexes of Bifunctional DO3A-N-(α-amino)propinate Ligands with Mg(II), Ca(II), Cu(II), Zn(II), and Lanthanide(III) Ions: Thermodynamic Stability, Formation and Dissociation Kinetics, and Solution Dynamic NMR Studies}, url = {https://m2.mtmt.hu/api/publication/32138794}, author = {Garda, Zoltán and Kócs, Tamara and Bányai, István and Martins, José A. and Kálmán, Ferenc Krisztián and Tóth, Imre and Geraldes, Carlos F. G. C. and Tircsó, Gyula}, doi = {10.3390/molecules26164956}, journal-iso = {MOLECULES}, journal = {MOLECULES}, volume = {26}, unique-id = {32138794}, issn = {1420-3049}, abstract = {The thermodynamic, kinetic, and structural properties of Ln3+ complexes with the bifunc‐ tional DO3A‐ACE4− ligand and its amide derivative DO3A‐BACE4− (modelling the case where DO3A‐ACE4− ligand binds to vector molecules) have been studied in order to confirm the usefulness of the corresponding Gd3+ complexes as relaxation labels of targeted MRI contrast agents. The sta‐ bility constants of the Mg2+ and Ca2+ complexes of DO3A‐ACE4− and DO3A‐BACE4− complexes are lower than for DOTA4− and DO3A3−, while the Zn2+ and Cu2+ complexes have similar and higher stability than for DOTA4− and DO3A3− complexes. The stability constants of the Ln(DO3A‐BACE)− complexes increase from Ce3+ to Gd3+ but remain practically constant for the late Ln3+ ions (repre‐ sented by Yb3+). The stability constants of the Ln(DO3A‐ACE)4− and Ln(DO3A‐BACE)4− complexes are several orders of magnitude lower than those of the corresponding DOTA4− and DO3A3− com‐ plexes. The formation rate of Eu(DO3A‐ACE)− is one order of magnitude slower than for Eu(DOTA)−, due to the presence of the protonated amine group, which destabilizes the protonated intermediate complex. This protonated group causes the Ln(DO3A‐ACE)− complexes to dissociate several orders of magnitude faster than Ln(DOTA)− and its absence in the Ln(DO3A‐BACE)− com‐ plexes results in inertness similar to Ln(DOTA)− (as judged by the rate constants of acid assisted dissociation). The 1H NMR spectra of the diamagnetic Y(DO3A‐ACE)− and Y(DO3A‐BACE)− reflect the slow dynamics at low temperatures of the intramolecular isomerization process between the SA pair of enantiomers, R‐Λ(λλλλ) and S‐Δ(δδδδ). The conformation of the Cα‐substituted pendant arm is different in the two complexes, where the bulky substituent is further away from the macrocyclic ring in Y(DO3A‐BACE)− than the amino group in Y(DO3A‐ACE)− to minimize steric hindrance. The temperature dependence of the spectra reflects slower ring motions than pendant arms rearrange‐ ments in both complexes. Although losing some thermodynamic stability relative to Gd(DOTA)−, Gd(DO3A‐BACE)− is still quite inert, indicating the usefulness of the bifunctional DO3A‐ACE4− in the design of GBCAs and Ln3+‐based tags for protein structural NMR analysis.}, year = {2021}, eissn = {1420-3049}, orcid-numbers = {Bányai, István/0000-0002-6260-9175; Martins, José A./0000-0001-9323-3978; Tóth, Imre/0000-0001-6718-9977; Tircsó, Gyula/0000-0002-7896-7890} }