TY - JOUR AU - Gál, Márton AU - Samaniego Andrade, Samantha Kathiuska AU - Fehér, Anna Éva AU - Farkas, Attila AU - Madarász, János AU - Horváth, Lili AU - Gordon, Péter AU - Kovács, Róbert Sándor AU - Nagyné László, Krisztina TI - Thermal diffusity in copper benzene-1,3,5-tricarboxylate–reduced graphite oxide mechanical composites JF - JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY J2 - J THERM ANAL CALORIM PY - 2024 PG - 13 SN - 1388-6150 DO - 10.1007/s10973-024-13021-x UR - https://m2.mtmt.hu/api/publication/34772009 ID - 34772009 N1 - Funding Agency and Grant Number: Nemzeti Kutatsi Fejlesztsi s Innovcis Hivatal [2020-3.1.1-ZFR-KVG-2020-00006]; National Research, Development and Innovation Fund of Hungary [2020-3.1.2-ZFR-KVG]; Hungarian grants [OTKA K143571, FK134277, TKP-6-6/PALY-2021]; Ministry of Culture and Innovation of Hungary from the National Research, Development and Innovation Fund [TKP2021-NVA]; Sustainable Development and Technologies National Programme of the Hungarian Academy of Sciences (FFT NP FTA); Stipendium Hungaricum scholarship program of the Hungarian Government Funding text: We extend our warm thanks to G. Bosznai (BME) for the invaluable technical assistance. This work was performed in the frame of the 2020-3.1.1-ZFR-KVG-2020-00006 project, implemented with the support provided from the National Research, Development and Innovation Fund of Hungary, financed under the 2020-3.1.2-ZFR-KVG funding scheme. This research was also funded by the Hungarian grants OTKA K143571 and FK134277. The research is part of project no Project no. TKP-6-6/PALY-2021 has been implemented with the support provided by the Ministry of Culture and Innovation of Hungary from the National Research, Development and Innovation Fund, financed under the TKP2021-NVA funding scheme. The research was also funded by the Sustainable Development and Technologies National Programme of the Hungarian Academy of Sciences (FFT NP FTA). SKSA is grateful to the Stipendium Hungaricum scholarship program of the Hungarian Government. AB - Metal organic frameworks (MOFs) and particularly copper benzene-1,3,5-tricarboxylate (HKUST-1) are excellent materials for gas storage (e.g., CH 4 , N 2 , H 2 adsorption) and gas separation. In this work, reduced graphene oxide (RGO)–HKUST-1 mechanical mixtures were studied in order to reveal the effect of RGO content on the pressure tolerance of the texture and heat conductivity. HKUST-1 was obtained by two different synthesis routes. Air-dried MOF and RGO were thoroughly mixed prior to the compression. Powder XRD and Raman spectroscopy were used to characterize the response of the crystal structure, while low-temperature nitrogen adsorption was used the follow the adsorption properties of the pellets. Finally, the "flash" heat pulse method was used to assess the thermal properties. The gas adsorption isotherms revealed that the adsorption capacity decreases when RGO is added. Based on Raman and XRD results, we found that the synthesis route has an effect on multiple scales. We experimentally confirmed that evaluation of the thermal diffusivity requires a model more complex than the simple Fourier equation, due to the inherent heterogeneous structure of the material. A good approximation of the Fourier coefficient of thermal diffusivity was obtained using the parameters of the Guyer–Krumhansl equation. The heat pulse experiments also revealed possible size-dependent behavior. LA - English DB - MTMT ER - TY - JOUR AU - Mészáros, Lilla Alexandra AU - Madarász, Lajos AU - Kádár, Szabina AU - Ficzere, Máté AU - Farkas, Attila AU - Nagy, Zsombor Kristóf TI - Machine vision-based non-destructive dissolution prediction of meloxicam-containing tablets JF - INTERNATIONAL JOURNAL OF PHARMACEUTICS J2 - INT J PHARM VL - 655 PY - 2024 PG - 13 SN - 0378-5173 DO - 10.1016/j.ijpharm.2024.124013 UR - https://m2.mtmt.hu/api/publication/34771157 ID - 34771157 N1 - Export Date: 5 April 2024 CODEN: IJPHD Correspondence Address: Kristóf Nagy, Z.; Department of Organic Chemistry and Technology, Műegyetem rakpart 3, Hungary; email: zsknagy@oct.bme.hu AB - Machine vision systems have emerged for quality assessment of solid dosage forms in the pharmaceutical industry. These can offer a versatile tool for continuous manufacturing while supporting the framework of process analytical technology, quality-by-design, and real-time release testing. The aim of this work is to develop a digital UV/VIS imaging-based system for predicting the in vitro dissolution of meloxicam-containing tablets. The alteration of the dissolution profiles of the samples required different levels of the critical process parameters, including compression force, particle size and content of the API. These process parameters were predicted non-destructively by multivariate analysis of UV/VIS images taken from the tablets. The dissolution profile prediction was also executed using solely the image data and applying artificial neural networks. The prediction error (RMSE) of the dissolution profile points was less than 5%. The alteration of the API content directly affected the maximum concentrations observed at the end of the dissolution tests. This parameter was predicted with a relative error of less than 10% by PLS models that are based on the color components of UV and VIS images. In conclusion, this paper presents a modern, non-destructive PAT solution for real-time testing of the dissolution of tablets. © 2024 The Author(s) LA - English DB - MTMT ER - TY - JOUR AU - Péterfi, Orsolya AU - Mészáros, Lilla Alexandra AU - Szabó-Szőcs, Bence AU - Ficzere, Máté AU - Sipos, Emese AU - Farkas, Attila AU - Galata, Dorián László AU - Nagy, Zsombor Kristóf TI - UV–VIS imaging-based investigation of API concentration fluctuation caused by the sticking behaviour of pharmaceutical powder blends JF - INTERNATIONAL JOURNAL OF PHARMACEUTICS J2 - INT J PHARM VL - 655 PY - 2024 PG - 11 SN - 0378-5173 DO - 10.1016/j.ijpharm.2024.124010 UR - https://m2.mtmt.hu/api/publication/34759117 ID - 34759117 N1 - Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest, H-1111, Hungary Department of Pharmaceutical Industry and Management, Faculty of Pharmacy, George Emil Palade University of Medicine, Pharmacy, Sciences and Technology of Targu Mures, Gheorghe Marinescu Street 38, Targu Mures, 540142, Romania Export Date: 5 April 2024 CODEN: IJPHD Correspondence Address: Galata, D.L.; Department of Organic Chemistry and Technology, Műegyetem rkp. 3., Hungary; email: galata.dorian.laszlo@vbk.bme.hu AB - Surface powder sticking in pharmaceutical mixing vessels poses a risk to the uniformity and quality of drug formulations. This study explores methods for evaluating the amount of pharmaceutical powder mixtures adhering to the metallic surfaces. Binary powder blends consisting of amlodipine and microcrystalline cellulose (MCC) were used to investigate the effect of the mixing order on the adherence to the vessel wall. Elevated API concentrations were measured on the wall and within the dislodged material from the surface, regardless of the mixing order of the components. UV imaging was used to determine the particle size and the distribution of the API on the metallic surface. The results were compared to chemical maps obtained by Raman chemical imaging. The combination of UV and VIS imaging enabled the rapid acquisition of chemical maps, covering a substantially large area representative of the analysed sample. UV imaging was also applied in tablet inspection to detect tablets that fail to meet the content uniformity criteria. The results present powder adherence as a possible source of poor content uniformity, highlighting the need for 100% inspection of pharmaceutical products to ensure product quality and safety. LA - English DB - MTMT ER - TY - JOUR AU - Béres, Kende Attila AU - Dürvanger, Zsolt AU - Homonnay, Zoltán AU - Nagyné Bereczki, Laura AU - Barta Holló, Berta AU - Farkas, Attila AU - Petruševski, Vladimir M. AU - Kótai, László TI - Insight into the Structure and Redox Chemistry of [Carbonatotetraamminecobalt(III)] Permanganate and Its Monohydrate as Co-Mn-Oxide Catalyst Precursors of the Fischer-Tropsch Synthesis JF - INORGANICS J2 - INORGANICS VL - 12 PY - 2024 IS - 4 SP - 94 SN - 2304-6740 DO - 10.3390/inorganics12040094 UR - https://m2.mtmt.hu/api/publication/34753165 ID - 34753165 AB - [Carbonatotetraamminecobalt(III)] permanganate monohydrate was synthesized first in the metathesis reaction of [Co(NH3)4CO3]NO3 and NaMnO4 in aqueous solution. Its thermal dehydration at 100 °C resulted in phase-pure [Co(NH3)4CO3]MnO4 (compound 1). Compounds 1 and 2 (i.e., the hydrated form) were studied with IR, far-IR, and low-temperature Raman spectroscopies, and their vibrational modes were assigned. The lattice parameters were determined by powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SXRD) methods for the triclinic and orthorhombic compounds 1 and 2, respectively. The detailed structure of compound 2 was determined, and the role of hydrogen bonds in the structural motifs was clarified. UV studies on compounds 1 and 2 showed the distortion of the octahedral geometry of the complex cation during dehydration because of the partial loss of the hydrogen bonds between the crystal water and the ligands of the complex cation. The thermal decomposition consists of a solid phase quasi-intramolecular redox reaction between the ammonia ligands and permanganate anions with the formation of ammonia oxidation products (H2O, NO, N2O, and CO2). The solid phase reaction product is amorphous cobalt manganese oxide containing ammonium, carbonate (and nitrate) anions. The temperature-controlled thermal decomposition of compound 2 in toluene at 110 °C showed that one of the decomposition intermediates is ammonium nitrate. The decomposition intermediates are transformed into Co1.5Mn1.5O4 spinel with MnCo2O4 structure upon further heating. Solid compound 2 gave the spinel at 500 °C both in an inert and air atmosphere, whereas the sample pre-treated in toluene at 110 °C without and with the removal of ammonium nitrate by aqueous washing, gave the spinel already at 300 and 400 °C, respectively. The molten NH4NO3 is a medium to start spinel crystallization, but its decomposition stops further crystal growth of the spinel phase. By this procedure, the particle size of the spinel product as low as ~4.0 nm could be achieved for the treatments at 300 and 400 °C, and it increased only to 5.7 nm at 500 °C. The nano-sized mixed cobalt manganese oxides are potential candidates as Fischer-Tropsch catalysts. LA - English DB - MTMT ER - TY - JOUR AU - Hirsch, Edit AU - Bornemissza, Zsuzsanna AU - Nagy, Zsombor Kristóf AU - Marosi, György AU - Farkas, Attila TI - Quantitative and qualitative analysis of cell culture media powders for mammalian cells by Raman microscopy JF - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY J2 - SPECTROCHIM ACTA A VL - 310 PY - 2024 PG - 11 SN - 1386-1425 DO - 10.1016/j.saa.2024.123906 UR - https://m2.mtmt.hu/api/publication/34544805 ID - 34544805 N1 - Export Date: 23 February 2024 CODEN: SAMCA Correspondence Address: Farkas, A.; Department of Organic Chemistry and Technology, Müegyetem rkp. 3., Hungary; email: farkas.attila@vbk.bme.hu Chemicals/CAS: Culture Media; Powders; Recombinant Proteins Funding details: 19-21, RRF-2.3.1-21-2022-00015 Funding details: European Commission, EC Funding details: Nemzeti Kutatási, Fejlesztési és Innovaciós Alap, NKFIA, K143039, ÚNKP-22-4-II-BME-128 Funding text 1: The research has been implemented with the support provided by the Ministry of Culture and Innovation of Hungary from the National Research, Development and Innovation Fund, financed under the K143039 funding scheme, and ÚNKP-22-4-II-BME-128 New National Excellence Program; Gedeon Richter Plc. Centennial Foundation (1103 Budapest, Gyömrői str. 19-21); and RRF-2.3.1-21-2022-00015 project provided by the European Union. Funding text 2: The research has been implemented with the support provided by the Ministry of Culture and Innovation of Hungary from the National Research, Development and Innovation Fund, financed under the K143039 funding scheme, and ÚNKP-22-4-II-BME-128 New National Excellence Program; Gedeon Richter Plc. Centennial Foundation (1103 Budapest, Gyömrői str. 19-21); and RRF-2.3.1-21-2022-00015 project provided by the European Union. LA - English DB - MTMT ER - TY - JOUR AU - Ficzere, Máté AU - Péterfi, Orsolya AU - Farkas, Attila AU - Nagy, Zsombor Kristóf AU - Galata, Dorián László TI - Image-based simultaneous particle size distribution and concentration measurement of powder blend components with deep learning and machine vision JF - EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES J2 - EUR J PHARM SCI VL - 191 PY - 2023 SN - 0928-0987 DO - 10.1016/j.ejps.2023.106611 UR - https://m2.mtmt.hu/api/publication/34342443 ID - 34342443 N1 - Export Date: 16 November 2023 CODEN: EPSCE Correspondence Address: Nagy, Z.K.; Department of Organic Chemistry and Technology, Műegyetem rkp 3., Hungary; email: zsknagy@oct.bme.hu LA - English DB - MTMT ER - TY - JOUR AU - Barta Holló, Berta AU - Bayat, Niloofar AU - Nagyné Bereczki, Laura AU - Petrusevski, Vladimir AU - Béres, Kende Attila AU - Farkas, Attila AU - Szilágyi, Imre Miklós AU - Kótai, László TI - Spectroscopic and structural characterization of hexaamminecobalt(III) dibromide permanganate JF - JOURNAL OF THE SERBIAN CHEMICAL SOCIETY J2 - J SERB CHEM SOC VL - 88 PY - 2023 IS - 12 SP - 1237 EP - 1252 PG - 16 SN - 0352-5139 DO - 10.2298/JSC230702062B UR - https://m2.mtmt.hu/api/publication/34316828 ID - 34316828 N1 - Export Date: 23 February 2024 CODEN: JSCSE Correspondence Address: Kótai, L.; Institute of Materials and Environmental Chemistry, Magyar Tudósok krt. 2., Hungary; email: kotai.laszlo@ttk.hu AB - Structural and spectroscopic characterization (SXRD, IR, liq. N2 temperature Raman, UV) of hexaamminecobalt(III) dibromide permanganate, [Co(NH3)6]Br2(MnO4) (compound 1) are described. There is a 3D hydrogen bond network including N-H???O-Mn and N-H???Br interactions, which could serve as potential reaction centers for solid-phase redox reactions between the ammonia ligands and/or bromide ions as reductants and permanganate ions as oxidant agents. The effect of the nature of halogen ions on the structural and spectroscopic properties of [Co(NH3)6]Br2(MnO4) and the analogous chloride compound, [Co(NH3)6]Cl2(MnO4) (compound 2) are discussed in detail. LA - English DB - MTMT ER - TY - JOUR AU - Galata, Dorián László AU - Gergely, Szilveszter AU - Nagy, Rebeka AU - Slezsák, János AU - Ronkay, Ferenc György AU - Nagy, Zsombor Kristóf AU - Farkas, Attila TI - Comparing the Performance of Raman and Near-Infrared Imaging in the Prediction of the In Vitro Dissolution Profile of Extended-Release Tablets Based on Artificial Neural Networks JF - PHARMACEUTICALS J2 - PHARMACEUTICALS-BASE VL - 16 PY - 2023 IS - 9 PG - 12 SN - 1424-8247 DO - 10.3390/ph16091243 UR - https://m2.mtmt.hu/api/publication/34131207 ID - 34131207 N1 - Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Budapest, H-1111, Hungary Department of Applied Biotechnology and Food Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Budapest, H-1111, Hungary Department of Innovative Vehicles and Materials, GAMF Faculty of Engineering and Computer Science, John von Neumann University, Kecskemét, H-6000, Hungary Export Date: 6 October 2023 Correspondence Address: Galata, D.L.; Department of Organic Chemistry and Technology, Hungary; email: galata.dorian.laszlo@vbk.bme.hu AB - In this work, the performance of two fast chemical imaging techniques, Raman and near-infrared (NIR) imaging is compared by utilizing these methods to predict the rate of drug release from sustained-release tablets. Sustained release is provided by adding hydroxypropyl methylcellulose (HPMC), as its concentration and particle size determine the dissolution rate of the drug. The chemical images were processed using classical least squares; afterwards, a convolutional neural network was applied to extract information regarding the particle size of HPMC. The chemical images were reduced to an average HPMC concentration and a predicted particle size value; these were used as inputs in an artificial neural network with a single hidden layer to predict the dissolution profile of the tablets. Both NIR and Raman imaging yielded accurate predictions. As the instrumentation of NIR imaging allows faster measurements than Raman imaging, this technique is a better candidate for implementing a real-time technique. The introduction of chemical imaging in the routine quality control of pharmaceutical products would profoundly change quality assurance in the pharmaceutical industry. LA - English DB - MTMT ER - TY - JOUR AU - Martiz Chalen, Jose Alejandro AU - Károly, Zoltán AU - Nagyné Bereczki, Laura AU - Trif, László AU - Farkas, Attila AU - Kállay-Menyhárd, Alfréd AU - Kótai, László TI - Carbonization of Zr-loaded thiourea-functionalized styrene-divinylbenzene copolymers: An easy was to synthesize Nano-ZrO2@C and Nano-(ZrC, ZrO2)@C composites JF - JOURNAL OF COMPOSITES SCIENCE J2 - J COMPOSITES SCI VL - 7 PY - 2023 PG - 15 SN - 2504-477X DO - 10.3390/jcs7080306 UR - https://m2.mtmt.hu/api/publication/34077482 ID - 34077482 N1 - Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar Tudósok krt. 2, Budapest, H-1117, Hungary Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, Műegyetem rakpart 3, Budapest, H-1111, Hungary Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, Műegyetem rakpart 3, Budapest, H-1111, Hungary Deuton-X Ltd, Selmeci u. 89, Érd, H-2030, Hungary Export Date: 4 September 2023 Correspondence Address: Kótai, L.; Institute of Materials and Environmental Chemistry, Magyar Tudósok krt. 2, Hungary; email: kotai.laszlo@ttk.hu LA - English DB - MTMT ER - TY - JOUR AU - Béres, Kende Attila AU - Homonnay, Zoltán AU - Nagyné Bereczki, Laura AU - Dürvanger, Zsolt AU - Petruševski, Vladimir M. AU - Farkas, Attila AU - Kótai, László TI - Crystal Nanoarchitectonics and Characterization of the Octahedral Iron(III)–Nitrate Complexes with Isomer Dimethylurea Ligands JF - CRYSTALS J2 - CRYSTALS VL - 13 PY - 2023 IS - 7 PG - 20 SN - 2073-4352 DO - 10.3390/cryst13071019 UR - https://m2.mtmt.hu/api/publication/34037505 ID - 34037505 N1 - Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Budapest, H-1117, Hungary György Hevesy PhD School of Chemistry, ELTE Eötvös Loránd University, Budapest, H-1117, Hungary Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, H-1117, Hungary Centre for Structural Science, Research Centre for Natural Sciences, Budapest, H-1117, Hungary ELKH-ELTE Protein Modelling Research Group, Budapest, H-1117, Hungary Structural Chemistry and Biology Laboratory, Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, H-1117, Hungary Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University, Skopje, MK-1000, North Macedonia Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Budapest, H-1111, Hungary Deuton-X Ltd, Érd, H-2030, Hungary Export Date: 14 August 2023 Correspondence Address: Kótai, L.; Institute of Materials and Environmental Chemistry, Hungary; email: kotai.laszlo@ttk.hu AB - Three octahedral iron(III) nitrate complexes with dimethylated urea ligand isomers, [hexakis(N,N’-dimethylurea-O)iron(III)] nitrate (compound 1), trans-[diaquatetrakis(N,N-dimethylurea-O)iron(III)] nitrate (compound 2), and [hexakis(N,N-dimethylurea-O)iron(III)] nitrate trihydrate (compound 3) were prepared and characterized with single crystal X-ray diffraction, IR, Raman and UV–Vis methods. In compounds 1 and 3, six dimethylurea ligands coordinate to the central FeIII ion via the oxygen in octahedral geometry and the ligands are arranged in a propeller-like manner, dividing the complex cations into two sides. In compound 1, the dimethylurea propellers screw in the opposite direction on the two sides of the complex and in compound 3, they are arranged with the same handedness on the two sides. The complexes have helical chirality. The two sides of the complex cations differ not only in the rotation direction of the ligands but also in the hydrogen bond formation. On one side of the complex cation, the ligands form intermolecular hydrogen bonds only with the crystal waters, meanwhile on the other side of the complex, the ligands form hydrogen bonds only with the nitrate ions. In compound 2, [Fe(N,N-dimethylurea)4(H2O)2]3+ cations form layers that are separated by interconnected NO3− ions forming a hydrogen bonding system and connecting the complex cations A-s and B-s. The three crystallographically different nitrate ions each form four hydrogen bonds in a way that they have one bidentate O atom and two monodentate O atoms; however, the anions differ in their hydrogen bonding. The spectroscopic characteristics of compound 2 were determined by IR measurements on the deuterated compound 2 as well. LA - English DB - MTMT ER -