@misc{MTMT:35719027, title = {Természetes és mesterséges oxazol és tiazol heterociklusokat tartalmazó indolszármazékok szintézise}, url = {https://m2.mtmt.hu/api/publication/35719027}, author = {Pollák, Patrik and Milen, Mátyás and Volk, Balázs}, unique-id = {35719027}, year = {2025}, orcid-numbers = {Volk, Balázs/0000-0002-2019-1874} } @book{MTMT:35721908, title = {Blarcamesine co-crystals for the manufacture of pharmaceutical dosage form}, url = {https://m2.mtmt.hu/api/publication/35721908}, author = {Szokol, Zsuzsanna and Nagy, Tamás and Dancsó, András and Virág, Attila and Némethné, Csillag Regina and Lozsi, Károly and Volk, Balázs and Szlávik, László}, unique-id = {35721908}, abstract = {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.}, year = {2024}, orcid-numbers = {Dancsó, András/0000-0001-8460-217X; Volk, Balázs/0000-0002-2019-1874} } @misc{MTMT:35721751, title = {A levomepromazine hatóanyaggal kapcsolatos érdekességek – ami a „tankönyvekből” kimaradt}, url = {https://m2.mtmt.hu/api/publication/35721751}, author = {Poszávácz, László and Porcs-Makkay, Márta and Halász, Judit and Kátainé Fadgyas, Katalin and Nagy, Tamás and Simig, Gyula and Volk, Balázs}, unique-id = {35721751}, year = {2024}, orcid-numbers = {Simig, Gyula/0000-0002-2569-6476; Volk, Balázs/0000-0002-2019-1874} } @article{MTMT:35593131, title = {Detailed Studies on the Methoxylation and Subsequent Dealkylation of N,N-Diethylbenzenesulfonamide Using a Tailor-Made Electrosynthetic Reactor}, url = {https://m2.mtmt.hu/api/publication/35593131}, author = {Várda, Ernák Ferenc and Gyűjtő, Imre and Ender, Ferenc and Csekő, Richárd and Balogh, György Tibor and Volk, Balázs}, doi = {10.3390/molecules29235496}, journal-iso = {MOLECULES}, journal = {MOLECULES}, volume = {29}, unique-id = {35593131}, abstract = {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.}, year = {2024}, eissn = {1420-3049}, orcid-numbers = {Ender, Ferenc/0000-0003-3800-5707; Balogh, György Tibor/0000-0003-3347-1880; Volk, Balázs/0000-0002-2019-1874} } @article{MTMT:35454561, title = {Synthesis of New Tetracyclic Ring Systems: Bridged Derivatives of Hydroxy‐, Sulfanyl‐ and Amino‐Substituted Dibenzo[c,f][1,2]thiazepine S,S‐Dioxides}, url = {https://m2.mtmt.hu/api/publication/35454561}, author = {Berecz, Gábor and Szabó, Dávid and Dancsó, András and Lauritz, Mária Tóthné and Kiss, Loránd and Simig, Gyula and Volk, Balázs}, doi = {10.1002/ejoc.202400835}, journal-iso = {EUR J ORG CHEM}, journal = {EUROPEAN JOURNAL OF ORGANIC CHEMISTRY}, volume = {27}, unique-id = {35454561}, issn = {1434-193X}, abstract = {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.}, year = {2024}, eissn = {1099-0690}, orcid-numbers = {Dancsó, András/0000-0001-8460-217X; Simig, Gyula/0000-0002-2569-6476; Volk, Balázs/0000-0002-2019-1874} } @article{MTMT:35435617, title = {Derisking Crystallization Process Development and Scale-Up Using a Complementary, “Quick and Dirty” Digital Design}, url = {https://m2.mtmt.hu/api/publication/35435617}, author = {Borsos, Ákos and Hámori, Csaba and Szilágyi, Emőke and Spaits, András and Farkas, Ferenc and Százdi, László and Kátainé Fadgyas, Katalin and Volk, Balázs and Szilágyi, Botond}, doi = {10.1021/acs.oprd.4c00199}, journal-iso = {ORG PROCESS RES DEV}, journal = {ORGANIC PROCESS RESEARCH & DEVELOPMENT}, volume = {28}, unique-id = {35435617}, issn = {1083-6160}, abstract = {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.}, year = {2024}, eissn = {1520-586X}, pages = {3813-3826}, orcid-numbers = {Borsos, Ákos/0000-0002-6021-4647; Volk, Balázs/0000-0002-2019-1874; Szilágyi, Botond/0000-0001-7777-9612} } @misc{MTMT:35218538, title = {Studies on the total syntheses of β‑carboline alkaloids orthoscuticellines A and B}, url = {https://m2.mtmt.hu/api/publication/35218538}, author = {Pollák, Patrik and Garádi, Zsófia and Volk, Balázs and Dancsó, András and Simig, Gyula and Milen, Mátyás}, unique-id = {35218538}, year = {2024}, orcid-numbers = {Garádi, Zsófia/0000-0002-0152-2746; Volk, Balázs/0000-0002-2019-1874; Dancsó, András/0000-0001-8460-217X; Simig, Gyula/0000-0002-2569-6476} } @misc{MTMT:35054151, title = {Digitális megoldások alkalmazása az eljárásfejlesztés, illetve méretnövelés során : egy példa az iparból}, url = {https://m2.mtmt.hu/api/publication/35054151}, author = {Borsos, Ákos and Hámori, Csaba and Szilágyi, Emőke and Spaits, András and Farkas, Ferenc and Százdi, László and Kátainé Fadgyas, Katalin and Volk, Balázs and Szilágyi, Botond}, unique-id = {35054151}, year = {2024}, orcid-numbers = {Volk, Balázs/0000-0002-2019-1874} } @misc{MTMT:35053918, title = {Egy tucat év, két tucat új gyűrűrendszer}, url = {https://m2.mtmt.hu/api/publication/35053918}, author = {Volk, Balázs}, unique-id = {35053918}, year = {2024}, orcid-numbers = {Volk, Balázs/0000-0002-2019-1874} } @misc{MTMT:35051016, title = {Ortoszkuticellin A és B alkaloidok szintézisének vizsgálata}, url = {https://m2.mtmt.hu/api/publication/35051016}, author = {Pollák, Patrik and Garádi, Zsófia and Volk, Balázs and Dancsó, András and Simig, Gyula and Milen, Mátyás}, unique-id = {35051016}, year = {2024}, orcid-numbers = {Garádi, Zsófia/0000-0002-0152-2746; Volk, Balázs/0000-0002-2019-1874; Dancsó, András/0000-0001-8460-217X; Simig, Gyula/0000-0002-2569-6476} }