https://m2.mtmt.hu/ hun 2026-10-07 08:36 true true 1 19 19 20 100 1 19 DESC publishedYear false ASC firstAuthor true ASC title true JournalArticle 37022738 APPROVED true 0 false 2026-03-21T05:59:37.708+0000 2026-03-21T05:59:10.528+0000 2026-03-21T05:58:25.054+0000 true 10102238 Nádas Orsolya /api/admin/10102238 Admin true 2026-03-21T05:59:10.796+0000 2026-03-21T05:59:10.796+0000 false false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Achuenu, Ifeanyi Application of partial differential equation (PDE) and integral calculus to rock forming minerals true 20180082 false false /api/journal/20180082 2987-2030 2987-2049 Journal true false false 4 1 11 23 11 13 2026 true INTERNATIONAL 2026 true true true false false NONE 2026-03-21 false 0 0 0 0 0 0 0 0 0 0 0 0 1 1 false false false false 2026-06-19T04:59:10.365+0000 7 15 0 4 0 false Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 135082451 /api/authorship/135082451 1 0.25 true false Achuenu Ifeanyi true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 135082452 /api/authorship/135082452 2 0.25 false false Lekmang C. Isah true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 135082453 /api/authorship/135082453 3 0.25 false false Hyeladi Dibal true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 135082454 /api/authorship/135082454 4 0.25 false true Geoffrey Mica Kumleng true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true /api/publication/37022738 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" >Achuenu Ifeanyi </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Lekmang C. Isah </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Hyeladi Dibal </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Geoffrey Mica Kumleng </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;37022738" target="_blank">Application of partial differential equation (PDE) and integral calculus to rock forming minerals</a></div> <div> <span class="journal-title">Sigma&Mu: Journal of Mathematics Education, Mathematics, Statistics and Data Science</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/2987-2030">2987-2030</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/2987-2049">2987-2049</a>)</span>: <span class="journal-volume">4</span> <span class="journal-issue">1</span> <span class="page"> pp 11-23 </span> <span class="year">(2026)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol </span> <span class="identifiers"> 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class="author-name" >Destro Francesco </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Molajafari Fateme </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Stelzer Torsten </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Ismail Hamza Youssef </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Griffin Daniel J. </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Braatz Richard D. </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Myerson Allan S. </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;37361629" target="_blank">Automation in Pharmaceutical Crystallization</a></div> <div> <span class="journal-title">ORGANIC PROCESS RESEARCH & DEVELOPMENT</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/1083-6160">1083-6160</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1520-586X">1520-586X</a>)</span>: <span class="journal-volume">June 25</span> <span 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<span class="type-subtype">Folyóiratcikk ( Összefoglaló cikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData"></span> </div> <div class="lastModified">Utolsó módosítás: 2026.07.01. 07:19 Nádas Orsolya (Egis admin5) </div> </div></div> JournalArticle 36492957 VALIDATED true 0 false 2026-05-24T11:10:00.141+0000 2026-05-18T17:14:57.053+0000 2025-12-15T08:05:18.548+0000 true 10102238 Nádas Orsolya /api/admin/10102238 Admin true 2026-05-24T11:08:29.468+0000 2026-05-18T17:14:56.224+0000 true 521 Szuper Admin /api/admin/521 Admin true false false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Barhate, Yash Digital design of crystallization processes using statistical machine learning true true /api/journal/1146 REVIEWED true 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Benjamin </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Yang Yihui </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Papageorgiou Charles </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Nagy Zoltan K. </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;36492957" target="_blank">Digital design of crystallization processes using statistical machine learning</a></div> <div> <span class="journal-title">COMPUTERS & CHEMICAL ENGINEERING</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0098-1354">0098-1354</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1873-4375">1873-4375</a>)</span>: <span class="journal-volume">206</span> <span class="page"> Paper 109518. </span> <span class="year">(2026)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="10.1016/j.compchemeng.2025.109518" target="_blank" href="https://doi.org/10.1016/j.compchemeng.2025.109518"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001648441400001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001648441400001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="105025137292" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105025137292"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://linkinghub.elsevier.com/retrieve/pii/S0098135425005216" target="_blank" href="https://linkinghub.elsevier.com/retrieve/pii/S0098135425005216"> Egyéb URL </a> </span> </span> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;36492957&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 8 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 36492957</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">WoS-XML</span> </div> <div class="lastModified">Utolsó módosítás: 2026.05.18. 19:14 Szuper Admin (admin) </div> </div></div> JournalArticle 37018173 VALIDATED true This research was supported by Hungarian National Scientific Research Fund (OTKA) grant FK-138475. 0 false 2026-09-24T14:44:39.852+0000 2026-07-17T09:28:46.228+0000 2026-03-18T14:06:03.109+0000 true 10044851 Szilágyi Botond /api/author/10044851 Author true 10044851 2026-07-17T09:28:46.615+0000 2026-07-17T09:28:46.615+0000 2026-04-24T07:25:13.072+0000 true 10072271 Andódy Katalin /api/admin/10072271 Admin true 2026-05-18T17:13:04.814+0000 true 521 Szuper Admin /api/admin/521 Admin true true false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Bereczki-Horváth, Lili Virág Automatic Design of Wet-Milling-Integrated Batch Crystallization Processes by Process Analytical Technology-Based Split-Range Direct Nucleation Control true true /api/journal/14406 REVIEWED true false 14406 false 14406 true 1083-6160 1520-586X Journal FOREIGN 30 4 861 871 861 11 2026 Wet milling is increasingly employed as a process-intensification tool in pharmaceutical batch crystallization, not only as a terminal particle-size reduction step but also as an integrated unit operation synchronized with the crystallizer to enhance process robustness and expand the attainable range of particle-size and shape distributions. Designing a high-performance batch crystallization process is challenging because of the large number of design variables that often require repeated crystallization and dissolution cycles. Synchronizing the crystallizer and wet-milling operations adds further complexity. Direct nucleation control (DNC) is widely used to automatically design cycles of crystal growth and dissolution for single-input, single-output systems─for example, adjusting the temperature to maintain the relative number density within a predefined range. This study extends the DNC principle to handle an integrated system. We propose a sequential split-range controller that regulates the relative number density by employing cooling and heating as the primary manipulated variables. When the target particle count cannot be achieved by cooling alone, a wet-milling cycle is automatically initiated to increase the count through high shear, thereby enhancing the nucleation, attrition, and breakage. Experimental results indicate that this control strategy can drive the process beyond the limits of conventional DNC, producing repeated cycles of growth and nucleation (by cooling or sequential cooling and milling) and dissolution (by heating). In addition to generating larger crystals, the automatic milling cycles also reduced the aspect ratio of rod-like particles, demonstrating the potential for simultaneous crystal-shape control. Repeated implementation of the integrated operation discovered by split-range DNC exhibited high reproducibility, underscoring the potential of the method not only as a control strategy but also as a rapid process-design tool. true true NATIONAL 2026 true true true false true false NONE 2026-09-24 false 1 0 1 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 0 14 14 Q1 false false false false 2026-03-31T12:33:37.012+0000 Kémiai és Környezeti Folyamatmérnöki Tanszék (BME / VBK) 1 4 1 2 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 135043571 /api/authorship/135043571 1 0.5 true false false Bereczki-Horváth Lili Virág true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 135043572 /api/authorship/135043572 2 0.5 false true true Author 10044851 /api/author/10044851 Szilágyi Botond true 10044851 true Szilágyi Botond true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 31669657 /api/publicationidentifier/31669657 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true IDENTICAL 10.1021/acs.oprd.5c00402 https://doi.org/10.1021/acs.oprd.5c00402 false true PublicationIdentifier 31777420 /api/publicationidentifier/31777420 PlainSource 1 /api/publicationsource/1 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true WoS WoS https://www.webofscience.com/wos/woscc/full-record/@@@ true true 1 true IDENTICAL 001717867200001 https://www.webofscience.com/wos/woscc/full-record/001717867200001 false true PublicationIdentifier 32026810 /api/publicationidentifier/32026810 PlainSource 3 /api/publicationsource/3 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true Scopus Scopus http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@ true true 3 true IDENTICAL 105036693387 http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105036693387 false true PublicationIdentifier 31669658 /api/publicationidentifier/31669658 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true IDENTICAL https://pubs.acs.org/doi/10.1021/acs.oprd.5c00402 https://pubs.acs.org/doi/10.1021/acs.oprd.5c00402 false true SjrRating 11676270 /api/sjrrating/11676270 35 0.24 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1605 /api/classificationexternal/1605 true 1605 true Q1 FROM_LAST_YEAR true true /api/publication/37018173 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Forrásközlemény" style="float: left" src="/frontend/resources/grid/publication-core-icon.png"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" >Bereczki-Horváth Lili Virág </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10044851"><a href="/gui2/?type=authors&mode=browse&sel=10044851" target="_blank">Szilágyi Botond ✉ (<span class="authorship-author-name">Szilágyi Botond</span> <span class="authorAux-mtmt"> Folyamatmérnök, vegyészmérnök</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;37018173" target="_blank">Automatic Design of Wet-Milling-Integrated Batch Crystallization Processes by Process Analytical Technology-Based Split-Range Direct Nucleation Control</a></div> <div> <span class="journal-title">ORGANIC PROCESS RESEARCH & DEVELOPMENT</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/1083-6160">1083-6160</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1520-586X">1520-586X</a>)</span>: <span class="journal-volume">30</span> <span class="journal-issue">4</span> <span class="page"> pp 861-871 </span> <span class="year">(2026)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="10.1021/acs.oprd.5c00402" target="_blank" href="https://doi.org/10.1021/acs.oprd.5c00402"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001717867200001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001717867200001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="105036693387" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105036693387"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="https://pubs.acs.org/doi/10.1021/acs.oprd.5c00402" target="_blank" href="https://pubs.acs.org/doi/10.1021/acs.oprd.5c00402"> Egyéb URL </a> </span> </span> <OnlyViewableByAuthor><div class="ratings"> <div class="journal-subject">Folyóirat szakterülete: Scopus - Organic Chemistry&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Physical and Theoretical Chemistry&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> </div></OnlyViewableByAuthor> <div class="publication-citation" style="margin-left: 0.5cm;"> <span title="Nyilvános idézőközlemények összesen, említések nélkül" class="citingPub-count">Nyilvános idéző összesen: 1</span> | Független: 1 | Függő: 0 | Nem jelölt: 0 | WoS jelölt: 1 | Scopus jelölt:&nbsp;1 | WoS/Scopus jelölt:&nbsp;1 | DOI jelölt:&nbsp;1 </div> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;37018173&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 14 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 37018173</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Forrás Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">DOI XML</span> </div> <div class="lastModified">Utolsó módosítás: 2026.07.17. 11:28 Szatmári Erika (BME admin4) </div> <pre class="comment" style="margin-top: 0; margin-bottom: 0;"><u>Megjegyzés</u>: This research was supported by Hungarian National Scientific Research Fund (OTKA) grant FK-138475.</pre> </div></div> JournalArticle 37074679 VALIDATED true 0 false 2026-05-27T15:39:13.160+0000 2026-05-18T00:58:43.449+0000 2026-04-14T11:36:54.840+0000 true 10102238 Nádas Orsolya /api/admin/10102238 Admin true 2026-05-24T19:22:28.236+0000 2026-05-18T00:58:42.556+0000 true 521 Szuper Admin /api/admin/521 Admin true false false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Budimir Sacher, Josip Direct Nucleation Control with External Heating Loop: Process System Engineering, Simulation and Experimental Investigation true true /api/journal/10038192 REVIEWED true false 10038192 false 10038192 true 2073-4352 Journal FOREIGN 16 4 248 248 2026 The aim of this work was to explore and test the concept of a novel direct nucleation control method with external dissolution of fine crystals (E-DNC). It was postulated that the heating cycles of the internal DNC method could be transferred from the crystallizer jacket to an electrically heated recirculation tube, thereby using less energy and requiring a shorter time compared to internal DNC. The conceptual model was explored and developed by reviewing previous research on the topic and addressing known drawbacks. Engineering experience and a heuristic approach led to the conclusion that five commonly used controllers would suffice for a straightforward implementation of the method. A simplified simulation was developed to compare the time and energy requirements for the internal and external DNC methods, and it was concluded that external DNC uses 37% less energy and 19% less time compared to internal DNC. The laboratory system was then constructed by modifying the internal DNC apparatus with inexpensive and commonly used components. A linear cooling experiment was performed to establish the baseline for comparison with E-DNC experiments and to set the expected count range. The E-DNC experiments were then conducted with the aim of obtaining larger crystal sizes, and it was shown that the process could be designed in only three experiments. Adjusting the heating rate and count limit led to a significant increase in median crystal size (22.5%) compared to linear cooling. true 2026 true true true false false GOLD 2026-05-27 false http://www.mdpi.com/journal/crystals 0 0 0 0 0 0 0 0 0 0 0 0 18 18 Q2 false false false false 2026-07-13T11:37:06.046+0000 13 22 0 3 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 137233930 /api/authorship/137233930 1 0.33333334 true false false Budimir Sacher Josip true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 137233931 /api/authorship/137233931 2 0.33333334 false false false Bolf Nenad true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 137233932 /api/authorship/137233932 3 0.33333334 false true false Rogue Manon true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 31831700 /api/publicationidentifier/31831700 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true IDENTICAL 10.3390/cryst16040248 https://doi.org/10.3390/cryst16040248 false true PublicationIdentifier 32177568 /api/publicationidentifier/32177568 PlainSource 1 /api/publicationsource/1 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true WoS WoS https://www.webofscience.com/wos/woscc/full-record/@@@ true true 1 true IDENTICAL 001749390400001 https://www.webofscience.com/wos/woscc/full-record/001749390400001 false true PublicationIdentifier 32337927 /api/publicationidentifier/32337927 PlainSource 3 /api/publicationsource/3 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true Scopus Scopus http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@ true true 3 true IDENTICAL 105036827651 http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105036827651 false true PublicationIdentifier 31831701 /api/publicationidentifier/31831701 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true https://www.mdpi.com/2073-4352/16/4/248 https://www.mdpi.com/2073-4352/16/4/248 false true SjrRating 11674792 /api/sjrrating/11674792 157 0.49 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1501 /api/classificationexternal/1501 true 1501 true Q2 FROM_LAST_YEAR true true /api/publication/37074679 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" >Budimir Sacher Josip </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Bolf Nenad </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Rogue Manon </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;37074679" target="_blank">Direct Nucleation Control with External Heating Loop: Process System Engineering, Simulation and Experimental Investigation</a></div> <div> <span class="journal-title">CRYSTALS</span> <span class="journal-issn">( <a target="_blank" href="https://portal.issn.org/resource/ISSN/2073-4352">2073-4352</a>)</span>: <span class="journal-volume">16</span> <span class="journal-issue">4</span> <span class="page"> p. 248. </span> <span class="year">(2026)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="10.3390/cryst16040248" target="_blank" href="https://doi.org/10.3390/cryst16040248"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001749390400001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001749390400001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="105036827651" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105036827651"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://www.mdpi.com/2073-4352/16/4/248" target="_blank" href="https://www.mdpi.com/2073-4352/16/4/248"> Egyéb URL </a> </span> </span> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;37074679&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 18 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 37074679</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">WoS-XML</span> </div> <div class="lastModified">Utolsó módosítás: 2026.05.18. 02:58 Szuper Admin (admin) </div> </div></div> JournalArticle 37505573 APPROVED true 0 false 2026-09-07T11:25:13.437+0000 2026-09-07T11:24:17.227+0000 2026-09-07T11:23:58.471+0000 true 10102238 Nádas Orsolya /api/admin/10102238 Admin true 2026-09-07T11:24:17.459+0000 2026-09-07T11:24:17.459+0000 false false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Deng, Zhicheng Hydrodynamics–kinetics coupling in stirred-tank para-xylene crystallization: Roles of flow pattern and vortex structure true true /api/journal/971 REVIEWED true false 971 false 971 true 0263-8762 1744-3563 Journal FOREIGN 234 68 81 68 14 2026 true true INTERNATIONAL 2026 true true true false false false NONE 2026-09-07 false 0 0 0 0 0 0 0 0 0 0 0 0 1 1 Q2 A false false false false 2026-12-06T12:24:17.131+0000 7 15 0 5 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 141621383 /api/authorship/141621383 1 0.2 true false false Deng Zhicheng true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 141621384 /api/authorship/141621384 2 0.2 false false false Zhang Ruochen true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 141621385 /api/authorship/141621385 3 0.2 false false false Wang Jiarui true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 141621386 /api/authorship/141621386 4 0.2 false false false Dong Jiayu true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 141621387 /api/authorship/141621387 5 0.2 false true false Wang Simin true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 32989213 /api/publicationidentifier/32989213 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true 10.1016/j.cherd.2026.08.054 https://doi.org/10.1016/j.cherd.2026.08.054 false true PublicationIdentifier 32989214 /api/publicationidentifier/32989214 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true https://linkinghub.elsevier.com/retrieve/pii/S026387622600571X https://linkinghub.elsevier.com/retrieve/pii/S026387622600571X false true MtaRating 11435030 /api/mtarating/11435030 RatingType 10031 /api/ratingtype/10031 X. 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Földtudományok Osztálya HAS Section of Earth Sciences (X.) true 70 true true true A true true SjrRating 11795432 /api/sjrrating/11795432 93 0.49 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1501 /api/classificationexternal/1501 true 1501 true Q2 FROM_LAST_YEAR true true /api/publication/37505573 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" >Deng Zhicheng </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Zhang Ruochen </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Wang Jiarui </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Dong Jiayu </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Wang Simin </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;37505573" target="_blank">Hydrodynamics–kinetics coupling in stirred-tank para-xylene crystallization: Roles of flow pattern and vortex structure</a></div> <div> <span class="journal-title">CHEMICAL ENGINEERING RESEARCH AND DESIGN</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0263-8762">0263-8762</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1744-3563">1744-3563</a>)</span>: <span class="journal-volume">234</span> <span class="page"> pp 68-81 </span> <span class="year">(2026)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:black" title="10.1016/j.cherd.2026.08.054" target="_blank" href="https://doi.org/10.1016/j.cherd.2026.08.054"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://linkinghub.elsevier.com/retrieve/pii/S026387622600571X" 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class="author-name" >Liu Weiqi </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Wei Guixuan </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Zhao Wang </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Luo Wei </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Tong Lu </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Jiang Yanbin </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;37311340" target="_blank">Modified method for efficient in-situ fines elimination during crystallization of disodium 5′-ribonucleotide using controllable jet feeding and particle sedimentation</a></div> <div> <span class="journal-title">POWDER TECHNOLOGY</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0032-5910">0032-5910</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1873-328X">1873-328X</a>)</span>: <span class="journal-volume">480</span> <span class="page"> Paper 122699. </span> <span class="year">(2026)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:black" title="10.1016/j.powtec.2026.122699" target="_blank" href="https://doi.org/10.1016/j.powtec.2026.122699"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://linkinghub.elsevier.com/retrieve/pii/S0032591026005887" target="_blank" href="https://linkinghub.elsevier.com/retrieve/pii/S0032591026005887"> Egyéb URL </a> </span> </span> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;37311340&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 1 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 37311340</span> | <span class="status-data status-APPROVED"> Nyilvános </span> Idéző | <span 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1134514 Survey paper true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/1134514 Összefoglaló cikk SubType 102 true 1134514 true 1 /api/category/1 Category true 1 Ma, Yiming Recent advances in the digital transformation of crystallization process development and operation: Synergy between model- and AI-driven strategies true true /api/journal/10009691 REVIEWED true false 10009691 false 10009691 true 1674-2001 2210-4291 Journal FOREIGN 110 223 253 223 31 2026 Crystallization plays a critical role across multiple industries, determining key particulate product attributes such as purity, particle size distribution, morphology, and polymorphic form. The multiscale nature of this process, encompassing molecular interactions, phase transitions, and transport phenomena, imposes high levels complexity on the design and control of systems in which particle characteristics govern performance. Digital strategies, including emerging AI-driven approaches, are increasingly recognized as powerful tools for managing multiscale complexity, reducing inherent uncertainties, and enhancing process development. This review aims to explore recent advances and critically analyze how digital methods can be applied at each stage of process development. The discussion begins with data acquisition and augmentation, including synthetic data generation, model-based experimental design, and rigorous data preprocessing and validation. This is followed by the modeling strategies tailored to specific design and operation objectives, including mechanistic, data-driven, and hybrid approaches for predicting crystallization dynamics and particulate properties. Finally, recent control and optimization solutions are discussed, focusing on model-based and adaptive algorithms for open and closed-loop strategies. The review concludes with a forward-looking perspective on emerging trends, highlighting the integration of digital twins, real-time optimization, and sustainability metrics which together are expected to enable intelligent, resilient, and sustainability-aligned crystallization systems capable of meeting future indus-trial and regulatory requirements. true 2026 true true true false false false NONE 2026-09-18 false 0 0 0 0 0 0 0 0 0 0 0 0 31 31 Q1 false false false false 2026-05-18T08:20:07.956+0000 20 25 0 4 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 134014461 /api/authorship/134014461 1 0.25 true false false Ma Yiming true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 134014462 /api/authorship/134014462 2 0.25 false false false Yuan Xuming true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 134014463 /api/authorship/134014463 3 0.25 false false false Yewale Ashish true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 134014464 /api/authorship/134014464 4 0.25 false true true Benyahia Brahim true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 31453732 /api/publicationidentifier/31453732 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true IDENTICAL 10.1016/j.partic.2026.01.014 https://doi.org/10.1016/j.partic.2026.01.014 false true PublicationIdentifier 31453733 /api/publicationidentifier/31453733 PlainSource 1 /api/publicationsource/1 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true WoS WoS https://www.webofscience.com/wos/woscc/full-record/@@@ true true 1 true IDENTICAL 001684153700001 https://www.webofscience.com/wos/woscc/full-record/001684153700001 false true PublicationIdentifier 31453765 /api/publicationidentifier/31453765 PlainSource 3 /api/publicationsource/3 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true Scopus Scopus http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@ true true 3 true IDENTICAL 105029189596 http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105029189596 false true Keyword 6511 /api/keyword/6511 true 6511 true Keyword 12390 /api/keyword/12390 true 12390 true Keyword 1008226 /api/keyword/1008226 true 1008226 true Keyword 1013013 /api/keyword/1013013 true 1013013 true Keyword 1190670 /api/keyword/1190670 true 1190670 true Keyword 1386855 /api/keyword/1386855 true 1386855 true Keyword 1389344 /api/keyword/1389344 true 1389344 true Keyword 1517139 /api/keyword/1517139 true true Keyword 1518633 /api/keyword/1518633 true true Keyword 1656833 /api/keyword/1656833 true true Keyword 2352306 /api/keyword/2352306 true true Keyword 2352548 /api/keyword/2352548 true true Keyword 2598042 /api/keyword/2598042 true true Keyword 3233865 /api/keyword/3233865 true true Keyword 4187863 /api/keyword/4187863 true true SjrRating 11674706 /api/sjrrating/11674706 81 0.24 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1501 /api/classificationexternal/1501 true 1501 true Q1 FROM_LAST_YEAR true true /api/publication/36952655 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" >Ma Yiming </span> ;&nbsp;&nbsp;&nbsp; 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margin-bottom: 0;"><u>Megjegyzés</u>: Funding Agency and Grant Number: UKRI Horizon Europe Guarantee scheme [HLTH-2021-IND-07, 101057430] Funding text: This project has received funding under the call HORIZON- HLTH-2021-IND-07 (SusPharma, grant agreement no. 101057430) and under the UKRI Horizon Europe Guarantee scheme (SusPharma, project reference no. 10038378) .</pre> </div></div> JournalArticle 37528373 APPROVED true 0 false 2026-09-18T11:44:52.422+0000 2026-09-18T11:41:27.805+0000 2026-09-18T09:49:10.748+0000 true 10072271 Andódy Katalin /api/admin/10072271 Admin true 2026-09-18T11:41:28.062+0000 2026-09-18T11:41:28.062+0000 false true true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Wong, Lok Hang Population balance modelling case studies for protein crystallisation: Workflows addressing impurities and heterogeneous seeding true true /api/journal/971 REVIEWED true false 971 false 971 true 0263-8762 1744-3563 Journal FOREIGN 232 544 565 544 22 2026 In this study, a population balance modelling (PBM) workflow for protein crystallisation is introduced and applied to two case studies, modelling lysozyme crystallisation in the presence of protein impurities (thaumatin and bovine serum albumin (BSA)) and heterogeneous silica seeds. The workflow systematically applies engineering judgement to identify phenomena (nucleation, growth, and enhancement/inhibition by foreign species), incorporates linear and exponential empirical adjustments to traditional kinetic models, and employs sequential kinetic parameter estimation to quantify phenomena. Across the two studies, workflow applicability was demonstrated for different crystalliser configurations (static/orbital shaking), buffer systems, foreign species, and scale-up (1-5 mL), whilst also overcoming experimental and solubility data limitations often encountered in high-cost crystallisation experiments. Although some calibrated parameters were uncertain with the 95% t-value smaller than the reference (attributed to a need for larger datasets), the workflow not only increased system knowledge but also revealed a critical knowledge gap: the complex, protein impurity-dependent behaviour of ternary lysozyme-silica-impurity systems, which traditional kinetic models proved unable to capture. The proposed workflow is broadly applicable to other peptides, proteins, or even small molecules, positioning it as a potential method for accelerating process design and understanding. true 2026 true true true false false false NONE 2026-09-18 false 0 0 0 0 0 0 0 0 0 0 0 0 2 2 Q2 A false false false false 2026-12-17T12:41:27.596+0000 14 21 0 3 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 141773347 /api/authorship/141773347 1 0.33333334 true false false Wong Lok Hang true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 141773348 /api/authorship/141773348 2 0.33333334 false false false Mitchell Niall Anthony true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 141773349 /api/authorship/141773349 3 0.33333334 false true true Heng Jerry Yong Yew true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 33050009 /api/publicationidentifier/33050009 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true 10.1016/j.cherd.2026.06.049 https://doi.org/10.1016/j.cherd.2026.06.049 false true PublicationIdentifier 33050010 /api/publicationidentifier/33050010 PlainSource 1 /api/publicationsource/1 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true WoS WoS https://www.webofscience.com/wos/woscc/full-record/@@@ true true 1 true 001831780200001 https://www.webofscience.com/wos/woscc/full-record/001831780200001 false true PublicationIdentifier 33050013 /api/publicationidentifier/33050013 PlainSource 3 /api/publicationsource/3 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true Scopus Scopus http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@ true true 3 true 105045385954 http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105045385954 false true PublicationIdentifier 32571104 /api/publicationidentifier/32571104 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true https://linkinghub.elsevier.com/retrieve/pii/S0263876226004132 https://linkinghub.elsevier.com/retrieve/pii/S0263876226004132 false true Keyword 3621 /api/keyword/3621 true 3621 true Keyword 6349 /api/keyword/6349 true 6349 true Keyword 10949 /api/keyword/10949 true 10949 true Keyword 1007206 /api/keyword/1007206 true 1007206 true Keyword 1100797 /api/keyword/1100797 true 1100797 true Keyword 1127681 /api/keyword/1127681 true 1127681 true Keyword 1389350 /api/keyword/1389350 true 1389350 true Keyword 3099244 /api/keyword/3099244 true true MtaRating 11435030 /api/mtarating/11435030 RatingType 10031 /api/ratingtype/10031 X. 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<div> <span class="journal-title">CHEMICAL ENGINEERING RESEARCH AND DESIGN</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0263-8762">0263-8762</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1744-3563">1744-3563</a>)</span>: <span class="journal-volume">232</span> <span class="page"> pp 544-565 </span> <span class="year">(2026)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:black" title="10.1016/j.cherd.2026.06.049" target="_blank" href="https://doi.org/10.1016/j.cherd.2026.06.049"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="001831780200001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001831780200001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a 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<span class="author-name" >Bódis Jenő </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10044851"><a href="/gui2/?type=authors&mode=browse&sel=10044851" target="_blank">Szilágyi Botond (<span class="authorship-author-name">Szilágyi Botond</span> <span class="authorAux-mtmt"> Folyamatmérnök, vegyészmérnök</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10040146"><a href="/gui2/?type=authors&mode=browse&sel=10040146" target="_blank">Bárkányi Ágnes (<span class="authorship-author-name">Bárkányi Ágnes</span> <span class="authorAux-mtmt"> Vegyészmérnöki</span>) </a> </span> <span class="author-affil"><span title="Pannon Egyetem">PE</span>/<span title="Mérnöki Kar">MK</span>/<span title="Bio-, Környezet- és Vegyészmérnöki Kutató-Fejlesztő Központ">BKVKFK</span>/Folyamatmérnöki Intézeti Tanszék </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10040866"><a href="/gui2/?type=authors&mode=browse&sel=10040866" target="_blank">Egedy Attila (<span class="authorship-author-name">Egedy Attila</span> <span class="authorAux-mtmt"> Vegyészmérnöki tudományok</span>) </a> </span> <span class="author-affil"><span title="Pannon Egyetem">PE</span>/<span title="Mérnöki Kar">MK</span>/<span title="Bio-, Környezet- és Vegyészmérnöki Kutató-Fejlesztő Központ">BKVKFK</span>/Folyamatmérnöki Intézeti Tanszék </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;35631684" target="_blank">Limited Data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst</a></div> <div> <span class="journal-title">CHEMICAL ENGINEERING JOURNAL ADVANCES</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/2666-8211">2666-8211</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/2666-8211">2666-8211</a>)</span>: <span class="journal-volume">21</span> <span class="page"> Paper 100693. 10 p. </span> <span class="year">(2025)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_GOLD" title=" Gold "> <a style="color:blue" title="10.1016/j.ceja.2024.100693" target="_blank" href="https://doi.org/10.1016/j.ceja.2024.100693"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001386227500001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001386227500001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="85212038007" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-85212038007"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://linkinghub.elsevier.com/retrieve/pii/S2666821124001108" target="_blank" href="https://linkinghub.elsevier.com/retrieve/pii/S2666821124001108"> Egyéb URL </a> </span> </span> <OnlyViewableByAuthor><div class="ratings"> <div class="journal-subject">Folyóirat szakterülete: Scopus - Chemical Engineering (miscellaneous)&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Chemistry (miscellaneous)&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Industrial and Manufacturing Engineering&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Environmental Chemistry&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q2</div> </div></OnlyViewableByAuthor> <div class="publication-citation" style="margin-left: 0.5cm;"> <span title="Nyilvános idézőközlemények összesen, említések nélkül" class="citingPub-count">Nyilvános idéző összesen: 1</span> | Független: 1 | Függő: 0 | Nem jelölt: 0 | WoS jelölt: 1 | Scopus jelölt:&nbsp;1 | WoS/Scopus jelölt:&nbsp;1 | DOI jelölt:&nbsp;1 </div> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;35631684&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 4 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 35631684</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Forrás Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">kézi felvitel</span> </div> <div class="lastModified">Utolsó módosítás: 2025.08.27. 12:25 Andódy Katalin (BME admin4) </div> <pre class="comment" style="margin-top: 0; margin-bottom: 0;"><u>Megjegyzés</u>: This work has been implemented by the TKP2021-NKTA-21 project with the support provided by the Ministry of Culture and Innovation of Hungary from the National Research, Development and Innovation Fund , financed under the 2021 Thematic Excellence Programme funding scheme.</pre> </div></div> JournalArticle 36601815 ADMIN_APPROVED true 0 false 2026-03-03T07:21:29.028+0000 2026-02-16T09:31:27.938+0000 2025-12-25T01:25:01.084+0000 true 521 Szuper Admin /api/admin/521 Admin true 2026-01-06T12:11:38.958+0000 2026-01-06T12:11:38.958+0000 2026-02-16T09:31:28.211+0000 true 10097128 Sass Dávid /api/admin/10097128 Admin true false false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Moshiritabrizi, Iman A Comparative Study of Strategies for Incorporating Uncertainty in Design Space Determination for Pharmaceutical Manufacturing true true /api/journal/1933 REVIEWED true false 1933 false 1933 true 0888-5885 1520-5045 Journal FOREIGN 64 45 21658 21668 21658 11 2025 2025 true true true false false false NONE 2026-03-03 false 0 0 0 0 0 0 0 0 0 0 0 0 4 4 Q1 false false false false 2026-02-15T09:31:27.741+0000 12 29 0 4 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 129912886 /api/authorship/129912886 1 0.25 true false false Moshiritabrizi Iman true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 129912887 /api/authorship/129912887 2 0.25 false false false McMullen Jonathan P. true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 129912888 /api/authorship/129912888 3 0.25 false false false Wyvratt Brian M. true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 129912889 /api/authorship/129912889 4 0.25 false true true McAuley Kimberley B. true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 30587036 /api/publicationidentifier/30587036 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true IDENTICAL 10.1021/acs.iecr.5c03037 https://doi.org/10.1021/acs.iecr.5c03037 false true PublicationIdentifier 30587035 /api/publicationidentifier/30587035 PlainSource 1 /api/publicationsource/1 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true WoS WoS https://www.webofscience.com/wos/woscc/full-record/@@@ true true 1 true IDENTICAL 001604083900001 https://www.webofscience.com/wos/woscc/full-record/001604083900001 false true PublicationIdentifier 31435582 /api/publicationidentifier/31435582 PlainSource 3 /api/publicationsource/3 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true Scopus Scopus http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@ true true 3 true 105022066855 http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105022066855 true true PublicationIdentifier 30094691 /api/publicationidentifier/30094691 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true https://pubs.acs.org/doi/10.1021/acs.iecr.5c03037 https://pubs.acs.org/doi/10.1021/acs.iecr.5c03037 false true Classification 11021 /api/classification/11021 true true SjrRating 11564370 /api/sjrrating/11564370 71 0.24 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1501 /api/classificationexternal/1501 true 1501 true Q1 FROM_LAST_YEAR true true /api/publication/36601815 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" >Moshiritabrizi Iman </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >McMullen Jonathan P. </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Wyvratt Brian M. </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >McAuley Kimberley B. ✉ </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;36601815" target="_blank">A Comparative Study of Strategies for Incorporating Uncertainty in Design Space Determination for Pharmaceutical Manufacturing</a></div> <div> <span class="journal-title">INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0888-5885">0888-5885</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1520-5045">1520-5045</a>)</span>: <span class="journal-volume">64</span> <span class="journal-issue">45</span> <span class="page"> pp 21658-21668 </span> <span class="year">(2025)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="10.1021/acs.iecr.5c03037" target="_blank" href="https://doi.org/10.1021/acs.iecr.5c03037"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001604083900001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001604083900001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="105022066855" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105022066855"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://pubs.acs.org/doi/10.1021/acs.iecr.5c03037" target="_blank" href="https://pubs.acs.org/doi/10.1021/acs.iecr.5c03037"> Egyéb URL </a> </span> </span> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;36601815&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 4 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 36601815</span> | <span class="status-data status-ADMIN_APPROVED"> Admin láttamozott </span> Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">WoS-XML</span> </div> <div class="lastModified">Utolsó módosítás: 2026.02.16. 10:31 Sass Dávid (SZTE admin5) </div> </div></div> JournalArticle 36372919 VALIDATED true This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. Álmos Orosz would like to express his gratitude to the University Research Scholarship Program (EKÖP) for their financial support throughout this research: the project no. IKT-2024-900-I1-00000836/0000008 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 EKÖP-24-3-BME-29 funding scheme. 0 false 2026-09-24T14:49:07.113+0000 2025-12-29T06:11:26.330+0000 2025-10-09T16:04:17.845+0000 true 10083600 Orosz Álmos /api/author/10083600 Author true 2026-01-01T10:01:53.564+0000 2025-11-26T11:28:31.624+0000 true 10072271 Andódy Katalin /api/admin/10072271 Admin true 2025-12-29T06:11:26.305+0000 true 521 Szuper Admin /api/admin/521 Admin true true false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Orosz, Álmos 2D population balance modeling and ML-based multi-objective optimization for the crystallization process of resveratrol true true /api/journal/185 REVIEWED true false 185 false 185 true 0001-1541 1547-5905 Journal FOREIGN 71 12 e70094 e70094 18 2025 Crystallization is critical in pharmaceutical manufacturing, influencing active pharmaceutical ingredient (API) purity and processability. This study models the cooling crystallization of resveratrol in a water‐ethanol solvent using a two‐dimensional population balance model (2D‐PBM). Experimental data from Focused Beam Reflectance Measurement (FBRM), UV/Vis spectroscopy, and microscopy supported model calibration via design of experiments. The well‐calibrated model enabled multi‐objective optimization (MOO) to (1) maximize yield and minimize batch time, and (2) explore the relationship between aspect ratio and median crystal size. While the first scenario showed minimal trade‐offs, the second revealed a balance between aspect ratio and size/yield. A hybrid approach combining mechanistic modeling with machine learning drastically accelerated simulations and enabled efficient prediction of Pareto‐optimal solutions. 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<span class="author-name" >Neal Monika </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Rao Rekha </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Roberts Christine </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10044851"><a href="/gui2/?type=authors&mode=browse&sel=10044851" target="_blank">Szilágyi Botond (<span class="authorship-author-name">Szilágyi Botond</span> <span class="authorAux-mtmt"> Folyamatmérnök, vegyészmérnök</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Nagy Zoltán K. ✉ </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;36372919" target="_blank">2D population balance modeling and ML-based multi-objective optimization for the crystallization process of resveratrol</a></div> <div> <span class="journal-title">AICHE JOURNAL</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0001-1541">0001-1541</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1547-5905">1547-5905</a>)</span>: <span class="journal-volume">71</span> <span class="journal-issue">12</span> <span class="page"> Paper e70094. 18 p. </span> <span class="year">(2025)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_GOLD" title=" Gold "> <a style="color:blue" title="10.1002/aic.70094" target="_blank" href="https://doi.org/10.1002/aic.70094"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001586224800001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001586224800001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="105018338915" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105018338915"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.70094" target="_blank" href="https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.70094"> Egyéb URL </a> </span> </span> <OnlyViewableByAuthor><div class="ratings"> <div class="journal-subject">Folyóirat szakterülete: Scopus - Chemical Engineering (miscellaneous)&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Biotechnology&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q2</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Environmental Engineering&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q2</div> </div></OnlyViewableByAuthor> <div class="publication-citation" style="margin-left: 0.5cm;"> <span title="Nyilvános idézőközlemények összesen, említések nélkül" class="citingPub-count">Nyilvános idéző összesen: 2</span> | Független: 1 | Függő: 1 | Nem jelölt: 0 | WoS jelölt: 2 | Scopus jelölt:&nbsp;1 | WoS/Scopus jelölt:&nbsp;2 | DOI jelölt:&nbsp;2 </div> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;36372919&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 7 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 36372919</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Forrás Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">DOI XML</span> </div> <div class="lastModified">Utolsó módosítás: 2025.12.29. 07:11 Szuper Admin (admin) </div> <pre class="comment" style="margin-top: 0; margin-bottom: 0;"><u>Megjegyzés</u>: This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. Álmos...</pre> </div></div> JournalArticle 36051983 VALIDATED true 0 false 2026-09-24T14:46:37.999+0000 2026-01-13T13:46:35.568+0000 2025-03-23T10:48:32.737+0000 true 10044851 Szilágyi Botond /api/author/10044851 Author true 10044851 2026-01-13T11:46:12.447+0000 2026-01-13T11:46:12.447+0000 2025-04-14T12:47:05.839+0000 true 10072271 Andódy Katalin /api/admin/10072271 Admin true 2026-01-01T03:36:50.006+0000 true 521 Szuper Admin /api/admin/521 Admin true true false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Orosz, Álmos Streamlining crystallization process scale-up using statistical modeling of experiments and complementary CFD flow fields true true /api/journal/3746 REVIEWED true false 3746 false 3746 true 0032-5910 1873-328X Journal FOREIGN 458 120934 120934 10 2025 Our paper presents a simple method that bridges computational fluid dynamics (CFD) simulations with systematic experimentation using multivariable statistics, which was developed in the spirit of rapid applicability, quick transferability, and practical simplicity in the process development and scale-up stage. This applies to technologies that have already been developed on a small scale, and it applies when the focal point of scale-up is the stirring conditions, rather than heat transfer or other issues. We propose identifying the predictive CFD variables on the measured CQAs and then training a predictive model that allows us to estimate the CQAs from the simulated flow fields in a technology transfer. The case study of cooling crystallization of L-glutamic acid demonstrates the workflow. Small-scale experiments (0.5 L) are performed with varied active volume and agitation rates, and the particle size distributions (PSD) of the products are measured. The corresponding quasi-steady-state CFD simulations were executed to obtain the flow field using the k−ɛ turbulence model. A partial least squares (PLS)–based recursive feature selection identified the predictive mixing parameters from the plethora of available CFD variables and simultaneously built a predictive model for the product CQA-s. Five critical CFD variables were identified in this case study, all related to the shear-rate distributions. The calibrated optimal PLS model had two components, and allowed the prediction of the mean sizes of the product, that is, Dv10, Dv50, and Dv90 on a 5 L scale with 0.2, 16.4, and 1.2μm deviation from the measured values. This data-driven method simplifies and accelerates the CFD-based scale-up under certain conditions (moderate nonlinearities, flow-centric problem) but does not aim to replace the meticulously identified nonlinear first-principles models. © 2025 The Authors true true 2025 true true true false true false GOLD 2026-09-24 true https://doi.org/10.1016/j.powtec.2025.120934 4 0 4 4 0 4 3 3 3 3 3 3 3 4 0 0 4 4 4 4 0 3 3 Q1 false false false false 2025-04-13T12:47:05.560+0000 Hidrodinamikai Rendszerek Tanszék (BME / GPK); Kémiai és Környezeti Folyamatmérnöki Tanszék (BME / VBK); Vegyészmérnöki és Biomérnöki Kar (BME) 6 8 3 6 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 125689013 /api/authorship/125689013 1 0.167 true false false Author 10083600 /api/author/10083600 Orosz Álmos true true Orosz Álmos true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 125689014 /api/authorship/125689014 2 0.167 false false false Author 10079796 /api/author/10079796 Sándor Levente true true Sandor Levente true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 125689015 /api/authorship/125689015 3 0.167 false false false Author 10085580 /api/author/10085580 Firoozirad Khadijeh true true Firoozirad Khadijeh true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 125689016 /api/authorship/125689016 4 0.167 false false false Author 10061361 /api/author/10061361 Pusztai Éva true 10061361 true Pusztai Eva true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 125689017 /api/authorship/125689017 5 0.167 false false true Author 10061331 /api/author/10061331 Nagy-György Péter true 10061331 true Nagy-Gyorgy Peter true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 125689018 /api/authorship/125689018 6 0.167 false true true Author 10044851 /api/author/10044851 Szilágyi Botond true 10044851 true Szilagyi Botond true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 29142704 /api/publicationidentifier/29142704 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true GOLD true IDENTICAL 10.1016/j.powtec.2025.120934 https://doi.org/10.1016/j.powtec.2025.120934 false true PublicationIdentifier 29244584 /api/publicationidentifier/29244584 PlainSource 1 /api/publicationsource/1 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true WoS WoS https://www.webofscience.com/wos/woscc/full-record/@@@ true true 1 true IDENTICAL 001461794400001 https://www.webofscience.com/wos/woscc/full-record/001461794400001 true true PublicationIdentifier 29228546 /api/publicationidentifier/29228546 PlainSource 3 /api/publicationsource/3 PublicationSourceType 10003 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10987 /api/classification/10987 true true Classification 11021 /api/classification/11021 true true SjrRating 11564337 /api/sjrrating/11564337 64 0.24 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1501 /api/classificationexternal/1501 true 1501 true Q1 DIRECT true true /api/publication/36051983 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Forrásközlemény" style="float: left" src="/frontend/resources/grid/publication-core-icon.png"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" mtid="10083600"><a href="/gui2/?type=authors&mode=browse&sel=10083600" target="_blank">Orosz Álmos (<span class="authorship-author-name">Orosz Álmos</span> <span class="authorAux-mtmt"> kristályosítás, populációmérleg modellezés</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10079796"><a href="/gui2/?type=authors&mode=browse&sel=10079796" target="_blank">Sandor Levente (<span class="authorship-author-name">Sándor Levente</span> <span class="authorAux-mtmt"> áramlástan</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Gépészmérnöki Kar">GPK</span>/Hidrodinamikai Rendszerek Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10085580"><a href="/gui2/?type=authors&mode=browse&sel=10085580" target="_blank">Firoozirad Khadijeh (<span class="authorship-author-name">Firoozirad Khadijeh</span> <span class="authorAux-mtmt"> crystallization & process engineering</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10061361"><a href="/gui2/?type=authors&mode=browse&sel=10061361" target="_blank">Pusztai Eva (<span class="authorship-author-name">Pusztai Éva</span> <span class="authorAux-mtmt"> ipari statisztika</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10061331"><a href="/gui2/?type=authors&mode=browse&sel=10061331" target="_blank">Nagy-Gyorgy Peter ✉ (<span class="authorship-author-name">Nagy-György Péter</span> <span class="authorAux-mtmt"> gépészeti tudományok</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Gépészmérnöki Kar">GPK</span>/Hidrodinamikai Rendszerek Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10044851"><a href="/gui2/?type=authors&mode=browse&sel=10044851" target="_blank">Szilagyi Botond ✉ (<span class="authorship-author-name">Szilágyi Botond</span> <span class="authorAux-mtmt"> Folyamatmérnök, vegyészmérnök</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/Vegyészmérnöki és Biomérnöki Kar</span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;36051983" target="_blank">Streamlining crystallization process scale-up using statistical modeling of experiments and complementary CFD flow fields</a></div> <div> <span class="journal-title">POWDER TECHNOLOGY</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0032-5910">0032-5910</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1873-328X">1873-328X</a>)</span>: <span class="journal-volume">458</span> <span class="page"> Paper 120934. 10 p. </span> <span class="year">(2025)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_GOLD" title=" Gold "> <a style="color:blue" title="10.1016/j.powtec.2025.120934" target="_blank" href="https://doi.org/10.1016/j.powtec.2025.120934"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001461794400001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001461794400001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="105001403235" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105001403235"> Scopus </a> </span> <span class="id identifier oa_none" 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<div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;36051983&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 3 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 36051983</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Forrás Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">kézi felvitel</span> </div> <div class="lastModified">Utolsó módosítás: 2026.01.13. 14:46 Pécsi Éva (MTMT Közp 2,3, admin) </div> </div></div> JournalArticle 36258769 VALIDATED true 0 false 2025-12-31T14:36:49.730+0000 2025-12-30T01:19:45.851+0000 2025-07-21T10:49:56.480+0000 true 10098688 Lantos Jonatán /api/admin/10098688 Admin true 2025-12-31T14:35:38.259+0000 2025-12-30T01:19:44.922+0000 true 521 Szuper Admin /api/admin/521 Admin true false false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Pessina, Daniele Integrated In Vitro / In Silico Uncertainty Quantification Method for Protein Crystallization Models true true /api/journal/1933 REVIEWED true false 1933 false 1933 true 0888-5885 1520-5045 Journal FOREIGN 64 24 12025 12035 12025 11 2025 true true 2025 true true true false false false NONE 2025-12-31 false 0 0 0 0 0 0 0 0 0 0 0 0 3 3 Q1 false false false false 2025-10-19T10:50:06.448+0000 8 16 0 5 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 127347874 /api/authorship/127347874 1 0.2 true false false Pessina Daniele true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127347875 /api/authorship/127347875 2 0.2 false false false Calderon De Anda Jorge true false false 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Y. true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127347878 /api/authorship/127347878 5 0.2 false true false Papathanasiou Maria M. true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 29627232 /api/publicationidentifier/29627232 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true IDENTICAL 10.1021/acs.iecr.4c04517 https://doi.org/10.1021/acs.iecr.4c04517 false true PublicationIdentifier 29627234 /api/publicationidentifier/29627234 PlainSource 1 /api/publicationsource/1 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true WoS WoS https://www.webofscience.com/wos/woscc/full-record/@@@ true true 1 true IDENTICAL 001502848400001 https://www.webofscience.com/wos/woscc/full-record/001502848400001 false true PublicationIdentifier 29627233 /api/publicationidentifier/29627233 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true https://pubs.acs.org/doi/10.1021/acs.iecr.4c04517 https://pubs.acs.org/doi/10.1021/acs.iecr.4c04517 false true SjrRating 11564370 /api/sjrrating/11564370 71 0.24 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1501 /api/classificationexternal/1501 true 1501 true Q1 FROM_LAST_YEAR true true /api/publication/36258769 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" >Pessina Daniele </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Calderon De Anda Jorge </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Heffernan Claire </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Heng Jerry Y. Y. </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Papathanasiou Maria M. </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;36258769" target="_blank">Integrated In Vitro / In Silico Uncertainty Quantification Method for Protein Crystallization Models</a></div> <div> <span class="journal-title">INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0888-5885">0888-5885</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1520-5045">1520-5045</a>)</span>: <span class="journal-volume">64</span> <span class="journal-issue">24</span> <span class="page"> pp 12025-12035 </span> <span class="year">(2025)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="10.1021/acs.iecr.4c04517" target="_blank" href="https://doi.org/10.1021/acs.iecr.4c04517"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001502848400001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001502848400001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://pubs.acs.org/doi/10.1021/acs.iecr.4c04517" target="_blank" href="https://pubs.acs.org/doi/10.1021/acs.iecr.4c04517"> Egyéb URL </a> </span> </span> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;36258769&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 3 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 36258769</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">WoS-XML</span> </div> <div class="lastModified">Utolsó módosítás: 2025.12.30. 02:19 Szuper Admin (admin) </div> </div></div> BookChapter 36259295 APPROVED true 0 false 2025-07-21T12:13:44.375+0000 2025-07-21T12:12:29.533+0000 2025-07-21T12:12:19.676+0000 true 10098688 Lantos Jonatán /api/admin/10098688 Admin true 2025-07-21T12:12:29.781+0000 2025-07-21T12:12:29.781+0000 false false true 25 25 /api/publicationtype/25 PublicationType 2 true 25 BookChapter true 10000398 Chapter true 25 25 /api/publicationtype/25 PublicationType 2 true 25 BookChapter /api/subtype/10000398 Könyvfejezet SubType 220 true 10000398 true 1 /api/category/1 Category true 1 Pessina, Daniele Model-based approach to template-induced macromolecule crystallisation 2504 2509 2504 6 2025 Biomacromolecules have intricate crystallisation behaviour due to their size and many interactions in solution and can often only crystallise in narrow ranges of experimental conditions. High solute concentrations are needed for crystal nucleation and growth, exceeding those eluted upstream and therefore preventing the adoption of crystallisation in downstream separation steps. By promoting molecular aggregation and nucleation via a lowered energy barrier, heterogeneous surfaces or templates can relax the supersaturation requirements and widen the crystallisation operating space. Though templates are promising candidates for process optimisation, their experimental testing has generally been limited to small-volume experiments, and quantification of their impact on process intensification and quality metrics at higher volumes remains unexplored. To address the knowledge gap, a model-based investigation of template-induced protein crystallisation systems through evaluation of key metrics is presented. Porous silica nano-particles with three chemical functionalisations (hydroxyl, carboxyl and butyl) are added to batch lysozyme crystallisation experiments at 40ml. Crystallisation population balance models are parametrised with an experimentally-validated parameter estimation methodology and further experiments are simulated. The templates appear to lower the estimated interfacial energy compared to the homogeneous case, leading to nucleation rate profiles which are less dependent on supersaturation. For this reason, the templates can crystallize quicker than the homogeneous system, particularly at lower initial concentrations. The simulation results highlight the ability of heteronucleants to alter nucleation rate profiles, and their potential to be used as process optimisation and intensification tools for biomacromolecule purification. true 2025 true true true false false false NONE 2025-07-21 false 0 0 0 0 0 0 0 0 0 0 0 0 1 1 false false false false 2025-10-19T12:12:29.390+0000 7 15 0 7 0 true 2376 true 10002 English /api/language/10002 Angol Language true 2 false true 11683 true 10021 /api/country/10021 Country true 17 /api/city/11683 City true 10000965 true 29553251 /api/publicationidentifier/29553251 https://doi.org/10.69997/sct.173479 10.69997/sct.173479 PublicationIdentifier true 6 DOI https://doi.org/@@@ /api/publicationsource/6 DOI PlainSource true true 10001 /api/publicationsourcetype/10001 PublicationSourceType true true 6 true false true 29553252 /api/publicationidentifier/29553252 https://www.worldcat.org/search?q=isbn%3A9781777940331 9781777940331 PublicationIdentifier true 122 ISBN 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false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127351087 /api/authorship/127351087 3 0.14285715 false false false Heffernan Claire true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127351088 /api/authorship/127351088 4 0.14285715 false false false Tian Tony true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127351089 /api/authorship/127351089 5 0.14285715 false false false Watson Oliver true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127351090 /api/authorship/127351090 6 0.14285715 false false false Heng Jerry Y. true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127351091 /api/authorship/127351091 7 0.14285715 false true false Papathanasiou Maria M. true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 29628782 /api/publicationidentifier/29628782 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true 10.69997/sct.131246 https://doi.org/10.69997/sct.131246 false true PublicationIdentifier 29628783 /api/publicationidentifier/29628783 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true DIFFERENT https://PSEcommunity.org/LAPSE:2025.0554 https://PSEcommunity.org/LAPSE:2025.0554 false true /api/publication/36259295 <div class="BookChapter Publication long-list"> <div class="authors"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" >Pessina Daniele </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Anda Jorge Calderon de </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Heffernan Claire </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Tian Tony </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Watson Oliver </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Heng Jerry Y. </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Papathanasiou Maria M. </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;36259295" target="_blank">Model-based approach to template-induced macromolecule crystallisation</a></div> <div class="InBook"><div class="chapter-in">In:</div> <div class="authors"> <div class="autype autype-1"> <span class="author-name" >VanImpe J </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Léonard G </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Bhonsale SS </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Polanska M </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Logist F </span> (szerk.) </div> </div> <div class="booktitle"><a href="/gui2/?mode=browse&params=publication;36226279" target="_blank">Proceedings of the 35th European Symposium on Computer Aided Process Engineering (ESCAPE 35) </a></div> <div class="conference"> Konferencia helye, ideje: <span class="location">Ghent, Belgium <span class="conference-date">2025.07.06. - 2025.07.09.</span> </div> <span class="publishedAt">Hamilton: <span class="publishers">PSE Press</span>, <span class="page"> pp 2504-2509 </span> <span class="year">(2025)</span> ( <span class="seriesTitle">Systems and Control Transactions</span> <span class="issn">2818-4734</span> <span class="seriesVolume">; 4</span>) </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:black" title="10.69997/sct.131246" target="_blank" href="https://doi.org/10.69997/sct.131246"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="https://PSEcommunity.org/LAPSE:2025.0554" target="_blank" href="https://PSEcommunity.org/LAPSE:2025.0554"> Egyéb URL </a> </span> </span> <span class="bookchapter-ids">Befoglaló link(ek):</span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:black" title="10.69997/sct.173479" target="_blank" href="https://doi.org/10.69997/sct.173479"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <span class="isbnOrIssn"> ISBN: </span> <a style="color:black" title="9781777940331" target="_blank" href="https://www.worldcat.org/search?q=isbn%3A9781777940331"> 9781777940331 </a> </span> </span> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;36259295&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 1 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 36259295</span> | <span class="status-data status-APPROVED"> Nyilvános </span> <span class="long-book-mtid">Befoglaló: 36226279</span> Idéző | <span class="type-subtype">Könyvrészlet ( Könyvfejezet ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData"></span> </div> <div class="lastModified">Utolsó módosítás: 2025.07.21. 14:12 Lantos Jonatán (Egis admin5) </div> </div> </div> JournalArticle 36279709 VALIDATED true 0 false 2026-01-02T14:17:23.561+0000 2025-12-19T18:18:27.461+0000 2025-08-04T12:19:10.733+0000 true 10098688 Lantos Jonatán /api/admin/10098688 Admin true 2026-01-02T14:15:51.931+0000 2025-12-19T18:18:26.528+0000 true 521 Szuper Admin /api/admin/521 Admin true false false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Yuan, Xuming A Comprehensive Framework for Model Evaluation and Refinement Using MBDoE Estimability and Structural identifiability: Application to a Crystallization Process true true /api/journal/20078600 REVIEWED true false false 20078600 true 2666-8211 2666-8211 Journal FOREIGN 23 100823 100823 2025 true false 2025 true true true false true false GOLD 2026-01-02 false https://www.journals.elsevier.com/chemical-engineering-journal-advances 0 0 0 0 0 0 0 0 0 0 0 0 6 6 Q1 false false false false 2025-11-02T13:19:20.702+0000 9 25 0 3 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 127480206 /api/authorship/127480206 1 0.33333334 true false false Yuan Xuming true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127480207 /api/authorship/127480207 2 0.33333334 false false false Nagy Zoltan K true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 127480208 /api/authorship/127480208 3 0.33333334 false true false Benyahia Brahim true false 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<div class="autype autype0"> <span class="author-name" >Yuan Xuming </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Nagy Zoltan K </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Benyahia Brahim </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;36279709" target="_blank">A Comprehensive Framework for Model Evaluation and Refinement Using MBDoE Estimability and Structural identifiability: Application to a Crystallization Process</a></div> <div> <span class="journal-title">CHEMICAL ENGINEERING JOURNAL ADVANCES</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/2666-8211">2666-8211</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/2666-8211">2666-8211</a>)</span>: <span class="journal-volume">23</span> <span class="page"> Paper 100823. </span> <span class="year">(2025)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="10.1016/j.ceja.2025.100823" target="_blank" href="https://doi.org/10.1016/j.ceja.2025.100823"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001546543200001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001546543200001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="105012595409" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105012595409"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="https://linkinghub.elsevier.com/retrieve/pii/S2666821125001206" target="_blank" href="https://linkinghub.elsevier.com/retrieve/pii/S2666821125001206"> Egyéb URL </a> </span> </span> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;36279709&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 6 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 36279709</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">WoS-XML</span> </div> <div class="lastModified">Utolsó módosítás: 2025.12.19. 19:18 Szuper Admin (admin) </div> </div></div> JournalArticle 35435617 VALIDATED true 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. 0 false 2026-09-24T14:45:03.748+0000 2026-02-10T09:39:23.891+0000 2024-10-04T12:32:55.234+0000 true 10044851 Szilágyi Botond /api/author/10044851 Author true 10044851 2026-02-10T09:39:23.743+0000 2025-03-19T07:25:29.568+0000 true 521 Szuper Admin /api/admin/521 Admin true true false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Borsos, Ákos Derisking Crystallization Process Development and Scale-Up Using a Complementary, “Quick and Dirty” Digital Design true true /api/journal/14406 REVIEWED true false 14406 false 14406 true 1083-6160 1520-586X Journal FOREIGN 28 10 3813 3826 3813 14 2024 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. 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<span class="author-name" mtid="10099096"><a href="/gui2/?type=authors&mode=browse&sel=10099096" target="_blank">Hámori Csaba (<span class="authorship-author-name">Hámori Csaba</span> <span class="authorAux-mtmt"> gyártástechnológia fejlesztés</span>) </a> </span> <span class="author-affil">Egis Gyógyszergyár Zrt.</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Szilágyi Emőke </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Spaits András </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10099072"><a href="/gui2/?type=authors&mode=browse&sel=10099072" target="_blank">Farkas Ferenc (<span class="authorship-author-name">Farkas Ferenc</span> <span class="authorAux-mtmt"> vegyészet, gyógyszeripar</span>) </a> </span> <span class="author-affil">Egis Gyógyszergyár Zrt.</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10016346"><a href="/gui2/?type=authors&mode=browse&sel=10016346" target="_blank">Százdi László (<span class="authorship-author-name">Százdi László</span> <span class="authorAux-mtmt"> vegyészmérnöki tudományok</span>) </a> </span> <span class="author-affil">Egis Gyógyszergyár Zrt.</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10075363"><a href="/gui2/?type=authors&mode=browse&sel=10075363" target="_blank">Kátainé Fadgyas Katalin (<span class="authorship-author-name">Kátainé Fadgyas Katalin</span> <span class="authorAux-mtmt"> Kémiai tudományok</span>) </a> </span> <span class="author-affil">Egis Gyógyszergyár Zrt.</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10012714"><a href="/gui2/?type=authors&mode=browse&sel=10012714" target="_blank">Volk Balázs (<span class="authorship-author-name">Volk Balázs</span> <span class="authorAux-mtmt"> Hatóanyag gyártóeljárás-fejlesztés, heterociklu...</span>) </a> </span> <span class="author-affil">Egis Gyógyszergyár Zrt.</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10044851"><a href="/gui2/?type=authors&mode=browse&sel=10044851" target="_blank">Szilágyi Botond ✉ (<span class="authorship-author-name">Szilágyi Botond</span> <span class="authorAux-mtmt"> Folyamatmérnök, vegyészmérnök</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/Vegyészmérnöki és Biomérnöki Kar</span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;35435617" target="_blank">Derisking Crystallization Process Development and Scale-Up Using a Complementary, “Quick and Dirty” Digital Design</a></div> <div> <span class="journal-title">ORGANIC PROCESS RESEARCH & DEVELOPMENT</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/1083-6160">1083-6160</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1520-586X">1520-586X</a>)</span>: <span class="journal-volume">28</span> <span class="journal-issue">10</span> <span class="page"> pp 3813-3826 </span> <span class="year">(2024)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_GOLD" title=" Gold "> <a style="color:blue" title="10.1021/acs.oprd.4c00199" target="_blank" href="https://doi.org/10.1021/acs.oprd.4c00199"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001328669800001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001328669800001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="85205910851" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-85205910851"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://pubs.acs.org/doi/10.1021/acs.oprd.4c00199" target="_blank" href="https://pubs.acs.org/doi/10.1021/acs.oprd.4c00199"> Egyéb URL </a> </span> </span> <OnlyViewableByAuthor><div class="ratings"> <div class="journal-subject">Folyóirat szakterülete: Scopus - Organic Chemistry&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Physical and Theoretical Chemistry&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> </div></OnlyViewableByAuthor> <div class="publication-citation" style="margin-left: 0.5cm;"> <span title="Nyilvános idézőközlemények összesen, említések nélkül" class="citingPub-count">Nyilvános idéző összesen: 7</span> | Független: 5 | Függő: 2 | Nem jelölt: 0 | WoS jelölt: 6 | Scopus jelölt:&nbsp;6 | WoS/Scopus jelölt:&nbsp;6 | DOI jelölt:&nbsp;7 </div> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;35435617&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 8 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 35435617</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Forrás Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">kézi felvitel</span> </div> <div class="lastModified">Utolsó módosítás: 2026.02.10. 10:39 Szatmári Erika (BME admin4) </div> <pre class="comment" style="margin-top: 0; margin-bottom: 0;"><u>Megjegyzés</u>: 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 s...</pre> </div></div> JournalArticle 35583409 APPROVED true 0 false 2026-09-24T14:45:01.931+0000 2026-01-13T13:52:55.399+0000 2024-11-19T16:23:49.882+0000 true 10083600 Orosz Álmos /api/author/10083600 Author true 2026-01-13T11:45:12.567+0000 2026-01-13T11:45:12.567+0000 true false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Orosz, Álmos Maximizing similarity: Using correlation coefficients to calibrate kinetic parameters in population balance models true true /api/journal/10057789 REVIEWED true false 10057789 false 10057789 true 2405-8440 Journal FOREIGN 10 22 e39851 e39851 14 2024 Crystallization plays a crucial role as a separation and purification technique, particularly in the chemical and pharmaceutical industries. By adjusting process parameters, the productivity, product quality, and efficiency of downstream processes can be improved. In complex processes, model-based design becomes invaluable. Population Balance Models (PBMs) have successfully aided the chemical industry in achieving more effective production processes for decades. These models can utilize various input data sources to identify the dominant mechanisms and calibrate model parameters. While inline particle monitoring tools serve as excellent qualitative descriptors, challenges arise from experimentation and data interpretation, hindering their direct application in the kinetic parameter estimation of PBMs. In this study, we present a novel approach that utilizes information from inline particle monitoring tools for the kinetic parameter estimation of PBMs, bypassing the associated obstacles. Our pioneering approach relies on offline product size data and the correlation-based utilization of inline particle monitoring information. The paper compares this novel strategy with two parameter estimation techniques: the classical method using solute concentration and product size data and a somewhat naïve approach, which assumes that the inline particle monitoring data can directly be compared with the simulations. The prediction capabilities are evaluated through two in-silico case studies. The results indicate that the precision and predictive capability of the correlation-based technique are comparable to the classical approach, both for noisy data and for a system undergoing significant agglomeration and deagglomeration. The use of Pearson's correlation coefficient yields the best results in the novel cases. These findings in in-silico datasets provide a foundation and motivation for the practical application of this idea, unleashing the so-far hidden model development potential of such measurements. © 2024 The Author(s) 2024 true true true false true false GOLD 2026-09-24 true https://doi.org/10.1016/j.heliyon.2024.e39851 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9 9 Q1 false false false false 2025-02-17T16:44:34.916+0000 Kémiai és Környezeti Folyamatmérnöki Tanszék (BME / VBK); Vegyészmérnöki és Biomérnöki Kar (BME) 2 6 2 2 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 121708084 /api/authorship/121708084 1 0.5 true false false Author 10083600 /api/author/10083600 Orosz Álmos true true Orosz Álmos true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 121708085 /api/authorship/121708085 2 0.5 false true true Author 10044851 /api/author/10044851 Szilágyi Botond true 10044851 true Szilágyi Botond true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 27957843 /api/publicationidentifier/27957843 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true GOLD true IDENTICAL 10.1016/j.heliyon.2024.e39851 https://doi.org/10.1016/j.heliyon.2024.e39851 false true PublicationIdentifier 27957844 /api/publicationidentifier/27957844 PlainSource 3 /api/publicationsource/3 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true Scopus Scopus http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@ true true 3 true IDENTICAL 85208764363 http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-85208764363 false true PublicationIdentifier 27909644 /api/publicationidentifier/27909644 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true https://linkinghub.elsevier.com/retrieve/pii/S2405844024158823 https://linkinghub.elsevier.com/retrieve/pii/S2405844024158823 false true SjrRating 11736117 /api/sjrrating/11736117 31 0.24 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1000 /api/classificationexternal/1000 true 1000 true Q1 DIRECT true true /api/publication/35583409 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Forrásközlemény" style="float: left" src="/frontend/resources/grid/publication-core-icon.png"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" mtid="10083600"><a href="/gui2/?type=authors&mode=browse&sel=10083600" target="_blank">Orosz Álmos (<span class="authorship-author-name">Orosz Álmos</span> <span class="authorAux-mtmt"> kristályosítás, populációmérleg modellezés</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10044851"><a href="/gui2/?type=authors&mode=browse&sel=10044851" target="_blank">Szilágyi Botond ✉ (<span class="authorship-author-name">Szilágyi Botond</span> <span class="authorAux-mtmt"> Folyamatmérnök, vegyészmérnök</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/Vegyészmérnöki és Biomérnöki Kar</span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;35583409" target="_blank">Maximizing similarity: Using correlation coefficients to calibrate kinetic parameters in population balance models</a></div> <div> <span class="journal-title">HELIYON</span> <span class="journal-issn">( <a target="_blank" href="https://portal.issn.org/resource/ISSN/2405-8440">2405-8440</a>)</span>: <span class="journal-volume">10</span> <span class="journal-issue">22</span> <span class="page"> Paper e39851. 14 p. </span> <span class="year">(2024)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_GOLD" title=" Gold "> <a style="color:blue" title="10.1016/j.heliyon.2024.e39851" target="_blank" href="https://doi.org/10.1016/j.heliyon.2024.e39851"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="85208764363" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-85208764363"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:black" title="https://linkinghub.elsevier.com/retrieve/pii/S2405844024158823" target="_blank" href="https://linkinghub.elsevier.com/retrieve/pii/S2405844024158823"> Egyéb URL </a> </span> </span> <OnlyViewableByAuthor><div class="ratings"> <div class="journal-subject">Folyóirat szakterülete: Scopus - Multidisciplinary&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> </div></OnlyViewableByAuthor> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;35583409&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 9 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 35583409</span> | <span class="status-data status-APPROVED"> Nyilvános </span> Forrás Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">RIS-Egyéb</span> </div> <div class="lastModified">Utolsó módosítás: 2026.01.13. 14:52 Pécsi Éva (MTMT Közp 2,3, admin) </div> </div></div>