TY - GEN AU - Pollák, Patrik AU - Milen, Mátyás AU - Volk, Balázs TI - Természetes és mesterséges oxazol és tiazol heterociklusokat tartalmazó indolszármazékok szintézise PY - 2025 UR - https://m2.mtmt.hu/api/publication/35719027 ID - 35719027 LA - Hungarian DB - MTMT ER - TY - PAT AU - Szokol, Zsuzsanna AU - Nagy, Tamás AU - Dancsó, András AU - Virág, Attila AU - Némethné, Csillag Regina AU - Lozsi, Károly AU - Volk, Balázs AU - Szlávik, László TI - Blarcamesine co-crystals for the manufacture of pharmaceutical dosage form CY - Country:10001(1) PY - 2024 UR - https://m2.mtmt.hu/api/publication/35721908 ID - 35721908 AB - ZnCl2 co-crystal of racemic-(±)-blarcamesine hydrochloride of formula 2a, ZnCl2 co-crystal of (S)-(−)-blarcamesine hydrochloride of formula 2b and ZnCl2 co-crystal of (R)-(+)-blarcamesine hydrochloride of formula 2c, processes for preparation thereof and pharmaceutical preparation thereof and methods of treating neurodegenerative, neurodevelopmental diseases such as Alzheimer's disease, Parkinson's disease dementia and/or Rett syndrome. LA - English DB - MTMT ER - TY - GEN AU - Poszávácz, László AU - Porcs-Makkay, Márta AU - Halász, Judit AU - Kátainé Fadgyas, Katalin AU - Nagy, Tamás AU - Simig, Gyula AU - Volk, Balázs TI - A levomepromazine hatóanyaggal kapcsolatos érdekességek – ami a „tankönyvekből” kimaradt PY - 2024 PG - 31 UR - https://m2.mtmt.hu/api/publication/35721751 ID - 35721751 LA - Hungarian DB - MTMT ER - TY - JOUR AU - Várda, Ernák Ferenc AU - Gyűjtő, Imre AU - Ender, Ferenc AU - Csekő, Richárd AU - Balogh, György Tibor AU - Volk, Balázs TI - Detailed Studies on the Methoxylation and Subsequent Dealkylation of N,N-Diethylbenzenesulfonamide Using a Tailor-Made Electrosynthetic Reactor JF - MOLECULES J2 - MOLECULES VL - 29 PY - 2024 IS - 23 PG - 13 SN - 1420-3049 DO - 10.3390/molecules29235496 UR - https://m2.mtmt.hu/api/publication/35593131 ID - 35593131 N1 - Export Date: 6 January 2025 CODEN: MOLEF Correspondence Address: Balogh, G.T.; Department of Chemical and Environmental Process Engineering, Műegyetem rakpart 3, Hungary; email: balogh.gyorgy.tibor@semmelweis.hu Correspondence Address: Volk, B.; Department of Chemical and Environmental Process Engineering, Műegyetem rakpart 3, Hungary; email: volk.balazs@egis.hu Funding details: Nemzeti Kutatási, Fejlesztési és Innovaciós Alap, NKFIA Funding text 1: This work was prepared in the framework of 2020-1.1.2-PIACI-KFI-2020-00039 project with the support of the Ministry of Culture and Innovation, from the National Research, Development and Innovation Fund, Hungary. AB - Benzenesulfonamides are an outstandingly important family of compounds in organic and medicinal chemistry. Herein, we report detailed studies on the electrochemical mono- and dideethylation of model compound N,N-diethylbenzenesulfonamide. In this context, all parameters of the electrosynthesis were systematically investigated, with a special emphasis on solvent screening and the effect of water on the outcome of the reaction. Beside a commercially available electrochemical reactor, a custom-made device has also successfully been designed and used in these transformations. Optimization of the reaction led to a green, scaled-up synthesis of the dealkylated products. Our experiments also render the synthesis and potential in situ use of the corresponding N-methoxyalkyl intermediate, a precursor of the reactive and versatile N-sulfonyliminium cation, possible. LA - English DB - MTMT ER - TY - JOUR AU - Berecz, Gábor AU - Szabó, Dávid AU - Dancsó, András AU - Lauritz, Mária Tóthné AU - Kiss, Loránd AU - Simig, Gyula AU - Volk, Balázs TI - Synthesis of New Tetracyclic Ring Systems: Bridged Derivatives of Hydroxy‐, Sulfanyl‐ and Amino‐Substituted Dibenzo[c,f][1,2]thiazepine S,S‐Dioxides JF - EUROPEAN JOURNAL OF ORGANIC CHEMISTRY J2 - EUR J ORG CHEM VL - 27 PY - 2024 IS - 46 PG - 9 SN - 1434-193X DO - 10.1002/ejoc.202400835 UR - https://m2.mtmt.hu/api/publication/35454561 ID - 35454561 AB - In continuation of our commitment to the synthesis of new ring systems based on the 6,11‐dihydrodibenzo[c,f][1,2]thiazepin 5,5‐dioxide core of the antidepressant drug tianeptine, we have incorporated two‐ and/or three‐carbon bridges between the nitrogen atom of the sulfonamide moiety and the N‐, O‐ or S‐substituent at position 11 of the tricycle. The synthesis of 5 new ring systems is described and demonstrated with several target compounds. LA - English DB - MTMT ER - TY - JOUR AU - Borsos, Ákos AU - Hámori, Csaba AU - Szilágyi, Emőke AU - Spaits, András AU - Farkas, Ferenc AU - Százdi, László AU - Kátainé Fadgyas, Katalin AU - Volk, Balázs AU - Szilágyi, Botond TI - Derisking Crystallization Process Development and Scale-Up Using a Complementary, “Quick and Dirty” Digital Design JF - ORGANIC PROCESS RESEARCH & DEVELOPMENT J2 - ORG PROCESS RES DEV VL - 28 PY - 2024 IS - 10 SP - 3813 EP - 3826 PG - 14 SN - 1083-6160 DO - 10.1021/acs.oprd.4c00199 UR - https://m2.mtmt.hu/api/publication/35435617 ID - 35435617 N1 - Funding Agency and Grant Number: Egis Pharmaceuticals PLC; Janos Bolyai Research Scholarship of the Hungarian Academy of Sciences; Ministry of Culture and Innovation, from the National Research Development and Innovation Fund [2020-1.1.2-PIACI-KFI-2020-00039]; Ministry of Culture and Innovation, from the National Research Development and Innovation Fund Funding text: The financial support from Egis Pharmaceuticals PLC is gratefully acknowledged. B.S. is thankful for the Janos Bolyai Research Scholarship of the Hungarian Academy of Sciences. This work was prepared in the framework of 2020-1.1.2-PIACI-KFI-2020-00039 project with the support of the Ministry of Culture and Innovation, from the National Research Development and Innovation Fund. AB - Despite the spread of digital (model and AI-based) techniques, the industry-standard pharmaceutical crystallization design and scale-up is still based on experiments’ design (DoE). Many orthogonally designed and usually relatively lightly monitored experiments are performed as a part of it. The final design/scale-up is inherently truncated by experimental and statistical modeling errors and assumptions, compromising the reliability of the calculated design space (DS). This study proposes to apply process modeling in a complementary way: utilize the experiments from the DoE to calibrate an application-driven model, quantify its accuracy, and use it─in parallel with the statistical interpretation of the DoE─to design the process. Both the DoE and model-based DS determination involve workflow-specific assumptions, simplifications, and errors, but the overlap between the independent results may be considered a derisked DS. We demonstrate this workflow on the design of a fed-batch salting-out crystallization for a commercial active pharmaceutical ingredient (API). The model was identified based on product particle size distribution data of a DoE set from a small-scale reactor (0.25 L) and a manufacturing batch (ca. 4000 L). Although reactors with intermediate volumes are also generally applied as a part of scale-up, included in the presented case study, those were not included in the model development and verification. The kinetic equations were taken from our previously developed cooling crystallization model of the same API. After calibration and accuracy evaluation, the critical process parameters were determined using interpretable machine learning via Shapley diagrams, and the DS was mapped and visualized using Monte Carlo sampling-based simulations. The DS was validated for 0.25 L experiments. The model-based DS was somewhat narrower than the DoE-based DS on a small scale. The DS determined for plant-scale crystallization can guide the manufacturing-scale process design and operation. The extrapolation capabilities of the model were stressed by external validation by defining and validating experimentally the DS for a 1 L crystallization. These results indicate that models developed in this application-centric way can enhance the robustness of the processes, and the modeling branch does not add any risk. In the worst-case scenario, if the modeling fails, one still has the results from the traditional design approach. © 2024 The Authors. Published by American Chemical Society. LA - English DB - MTMT ER - TY - GEN AU - Pollák, Patrik AU - Garádi, Zsófia AU - Volk, Balázs AU - Dancsó, András AU - Simig, Gyula AU - Milen, Mátyás TI - Studies on the total syntheses of β‑carboline alkaloids orthoscuticellines A and B PY - 2024 UR - https://m2.mtmt.hu/api/publication/35218538 ID - 35218538 LA - English DB - MTMT ER - TY - GEN AU - Borsos, Ákos AU - Hámori, Csaba AU - Szilágyi, Emőke AU - Spaits, András AU - Farkas, Ferenc AU - Százdi, László AU - Kátainé Fadgyas, Katalin AU - Volk, Balázs AU - Szilágyi, Botond TI - Digitális megoldások alkalmazása az eljárásfejlesztés, illetve méretnövelés során : egy példa az iparból PY - 2024 UR - https://m2.mtmt.hu/api/publication/35054151 ID - 35054151 LA - Hungarian DB - MTMT ER - TY - GEN AU - Volk, Balázs TI - Egy tucat év, két tucat új gyűrűrendszer PY - 2024 UR - https://m2.mtmt.hu/api/publication/35053918 ID - 35053918 LA - Hungarian DB - MTMT ER - TY - GEN AU - Pollák, Patrik AU - Garádi, Zsófia AU - Volk, Balázs AU - Dancsó, András AU - Simig, Gyula AU - Milen, Mátyás TI - Ortoszkuticellin A és B alkaloidok szintézisének vizsgálata PY - 2024 UR - https://m2.mtmt.hu/api/publication/35051016 ID - 35051016 LA - Hungarian DB - MTMT ER -