Archivio Istituzionale della RicercaSIMONE, ELENA
SIMONE, ELENA
Dipartimento Scienza Applicata e Tecnologia
068439
Assessment of fine-tuned large language models for real-world chemistry and material science applications
2025 Van Herck, Joren; Victoria Gil, María; Maik Jablonka, Kevin; Abrudan, Alex; Sode Anker, Andy; Asgari, Mehrdad; Blaiszik, Ben; Buffo, Antonio; Choudhury, Leander; Corminboeuf, Clemence; Daglar, Hilal; Mohammad Elahi, Amir; Foster, Ian; Garcia, Susana; Garvin, Matthew; Godin, Guillaume; Good, Lydia L.; Gu, Jianan; Xiao Hu, Noémie; Jin, Xin; Junkers, Tanja; Keskin, Seda; Knowles, Tuomas; Laplaza, Rubén; Lessona, Michele; Majumdar, Sauradeep; Mashhadimoslem, Hossein; Mcintosh, Ruaraidh; Mohamad Moosavi, Seyed; Mouriño, Beatriz; Nerli, Francesca; Pevida, Covadonga; Poudineh, Neda; Rajabi Kochi, Mahyar; Saar, Kadi L.; Hooriabad Saboor, Fahimeh; Sagharichiha, Morteza; Schmidt, Kj; Shi, Jiale; Simone, Elena; Svatunek, Dennis; Taddei, Marco; Tetko, Igor V.; Tolnai, Domonkos; Vahdatifar, Sahar; Whitmer, Jonathan K.; Wieland, Florian; Willumeit, Regine; Zuttel, Andreas; Smit, Berend
Crystallization Behavior of Plant-Based Fat Blends Formulated as an Alternative for Anhydrous Milk Fat in Milk Chocolate
2025 Fiore, Cecilia; Rutherford, Tom; Giuffrida, Francesca; Marmet, Cynthia; Simone, Elena
Mechanical Transitions in Crystals: The Low-Temperature Thermosalient Transition of a Mesogenic Polyphenyl
2025 Parisi, Emmanuele; Santagata, Emanuela; Kula, Przemysław; Herman, Jakub; Gupta, Sakuntala; Simone, Elena; Zarrella, Salvatore; Korter, Timothy M.; Centore, Roberto
A crystal engineering approach for rational design of curcumin crystals for Pickering stabilization of emulsions
2024 Del Duca, Giulia; Parisi, Emmanuele; Artusio, Fiora; Calì, Eleonora; Fraterrigo Garofalo, Silvia; Rosso, Chiara; Cauda, Valentina; Chierotti, Michele R.; Simone, Elena
A synchrotron X-ray scattering study of the crystallization behavior of mixtures of confectionary triacylglycerides: effect of chemical composition and shear on polymorphism and kinetics
2024 Simone, Elena; Rappolt, Michael; Ewens, Holly; Rutherford, Tom; Marty Terrade, Stephanie; Giuffrida, Francesca; Marmet, Cynthia
Elucidating the Polymorphism of Xanthone: A Crystallization and Characterization Study
2024 Preston, Janine Andrea; Parisi, Emmanuele; Murray, Brent; Tyler, Arwen I. I.; Simone, Elena
Fabrication and stability of dual Pickering double emulsions stabilized with food-grade particles
2024 Tenorio-Garcia, Elizabeth; Rappolt, Michael; Sadeghpour, Amin; Simone, Elena; Sarkar, Anwesha
Frustration of H-Bonding and Frustrated Packings in a Hexamorphic Crystal System with Reversible Crystal–Crystal Transitions
2024 Parisi, Emmanuele; Santagata, Emanuela; Simone, Elena; Borbone, Fabio; Centore, Roberto
Predicting particle quality attributes of organic crystalline materials using Particle Informatics
2024 Prandini, E.; Cali', E.; Maloney, A. G. P.; Parisi, E.; Simone, E.
The Future of Industrial Crystallization
2024 ter Horst, J. H.; Sefcik, J.; Simone, E.
The use of polymorphic state modifiers in solid lipid microparticles: The role of structural modifications on drug release performance
2024 Bertoni, Serena; Simone, Elena; Sangiorgi, Stefano; Albertini, Beatrice; Passerini, Nadia
Valorization of pyrolytic plastic-derived char for adsorption of wastewater contaminants: a kinetic and thermodynamic investigation
2024 Barracco, F.; Parisi, E.; Pipitone, G.; Simone, E.; Bensaid, S.; Fino, D.
Decoding the role of triacylglycerol composition in the milk fat crystallisation behaviour: A study using buffalo milk fat fractions
2023 Pratama, Yoga; Seilert, Julia; Sadeghpour, Amin; Simone, Elena; Rappolt, Michael
Development of a Digital Twin for the Prediction and Control of Supersaturation during Batch Cooling Crystallization
2023 Leeming, Ryan; Mahmud, Tariq; Roberts, Kevin J.; George, Neil; Webb, Jennifer; Simone, Elena; Brown, Cameron J.
NAVIGATING THE COMPLEX SOLID FORM LANDSCAPE OF THE QUERCETIN FLAVONOID MOLECULE
2023 Klitou, Panayiotis; Parisi, Emmanuele; Bordignon, Simone; Bravetti, Federica; Rosbottom, Ian; Dell’Aera, Marzia; Cuocci, Corrado; Chierotti, Michele R.; Altomare, Angela; Simone, Elena
Pickering Water-in-oil Emulsions Stabilized Solely by Fat Crystals
2023 Tenorio-Garcia, Elizabeth; Araiza-Calahorra, Andrea; Rappolt, Michael; Simone, Elena; Sarkar, Anwesha
Understanding the role of imidazolium-based ionic liquids in the electrochemical CO2 reduction reaction
2023 Fortunati, Alessia; Risplendi, Francesca; RE FIORENTIN, Michele; Cicero, Giancarlo; Parisi, Emmanuele; Castellino, Micaela; Simone, Elena; Iliev, Boyan; Schubert, Thomas J. S.; Russo, Nunzio; Simelys, Hernández
Analysis of the Dissolution and Crystallization of Partly Immiscible Ternary Mixtures Using a Composite Sensor Array of In Situ ATR-FTIR, Laser Backscattering, and Imaging
2022 Simone, Elena; Beveridge, Gillian; Sillers, Pauline; Webb, Jennifer; George, Neil; Hone, John
Polymorphism of a Highly Asymmetrical Triacylglycerol in Milk Fat: 1-Butyryl 2-Stearoyl 3-Palmitoyl-glycerol
2022 Pratama, Yoga; Burholt, Sam; Baker, Daniel L.; Sadeghpour, Amin; Simone, Elena; Rappolt, Michael
Real-time monitoring of fat crystallization using pulsed acoustic spectroscopy and supervised machine learning
2022 Metilli, L.; Morris, L.; Lazidis, A.; Marty-Terrade, S.; Holmes, M.; Povey, M.; Simone, E.
| Citazione | Data di pubblicazione | Autori | File |
|---|---|---|---|
| Assessment of fine-tuned large language models for real-world chemistry and material science applications / Van Herck, Joren; Victoria Gil, María; Maik Jablonka, Kevin; Abrudan, Alex; Sode Anker, Andy; Asgari, Mehrdad; Blaiszik, Ben; Buffo, Antonio; Choudhury, Leander; Corminboeuf, Clemence; Daglar, Hilal; Mohammad Elahi, Amir; Foster, Ian; Garcia, Susana; Garvin, Matthew; Godin, Guillaume; Good, Lydia L.; Gu, Jianan; Xiao Hu, Noémie; Jin, Xin; Junkers, Tanja; Keskin, Seda; Knowles, Tuomas; Laplaza, Rubén; Lessona, Michele; Majumdar, Sauradeep; Mashhadimoslem, Hossein; Mcintosh, Ruaraidh; Mohamad Moosavi, Seyed; Mouriño, Beatriz; Nerli, Francesca; Pevida, Covadonga; Poudineh, Neda; Rajabi Kochi, Mahyar; Saar, Kadi L.; Hooriabad Saboor, Fahimeh; Sagharichiha, Morteza; Schmidt, Kj; Shi, Jiale; Simone, Elena; Svatunek, Dennis; Taddei, Marco; Tetko, Igor V.; Tolnai, Domonkos; Vahdatifar, Sahar; Whitmer, Jonathan K.; Wieland, Florian; Willumeit, Regine; Zuttel, Andreas; Smit, Berend. - In: CHEMICAL SCIENCE. - ISSN 2041-6520. - 16:2(2025), pp. 670-684. [10.1039/d4sc04401k] | 1-gen-2025 | Antonio BuffoMichele LessonaElena Simone + | d4sc04401k.pdf |
| Crystallization Behavior of Plant-Based Fat Blends Formulated as an Alternative for Anhydrous Milk Fat in Milk Chocolate / Fiore, Cecilia; Rutherford, Tom; Giuffrida, Francesca; Marmet, Cynthia; Simone, Elena. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7483. - (2025). [10.1021/acs.cgd.5c00227] | 1-gen-2025 | Fiore, CeciliaSimone, Elena + | 003-MFreplacers_rev_27march_clean.docx |
| Mechanical Transitions in Crystals: The Low-Temperature Thermosalient Transition of a Mesogenic Polyphenyl / Parisi, Emmanuele; Santagata, Emanuela; Kula, Przemysław; Herman, Jakub; Gupta, Sakuntala; Simone, Elena; Zarrella, Salvatore; Korter, Timothy M.; Centore, Roberto. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - (2025). [10.1021/jacs.5c03448] | 1-gen-2025 | Parisi, EmmanueleSimone, Elena + | - |
| A crystal engineering approach for rational design of curcumin crystals for Pickering stabilization of emulsions / Del Duca, Giulia; Parisi, Emmanuele; Artusio, Fiora; Calì, Eleonora; Fraterrigo Garofalo, Silvia; Rosso, Chiara; Cauda, Valentina; Chierotti, Michele R.; Simone, Elena. - In: FOOD RESEARCH INTERNATIONAL. - ISSN 0963-9969. - 194:(2024), pp. 1-17. [10.1016/j.foodres.2024.114871] | 1-gen-2024 | Del Duca, GiuliaParisi, EmmanueleArtusio, FioraFraterrigo Garofalo, SilviaCauda, ValentinaSimone, Elena + | Curcumin+revision+July24.pdf; 1-s2.0-S0963996924009414-main.pdf |
| A synchrotron X-ray scattering study of the crystallization behavior of mixtures of confectionary triacylglycerides: effect of chemical composition and shear on polymorphism and kinetics / Simone, Elena; Rappolt, Michael; Ewens, Holly; Rutherford, Tom; Marty Terrade, Stephanie; Giuffrida, Francesca; Marmet, Cynthia. - In: FOOD RESEARCH INTERNATIONAL. - ISSN 0963-9969. - 177:(2024), pp. 1-15. [10.1016/j.foodres.2023.113864] | 1-gen-2024 | Elena Simone + | CBE paper_ Reviewed 8Dec23_clean.docx; A synchrotron X-ray scattering study of the crystallization behavior of mixtures of confectionary triacylglycerides_ Effect of chemical composition and shear on polymorphism and kinetics.pdf |
| Elucidating the Polymorphism of Xanthone: A Crystallization and Characterization Study / Preston, Janine Andrea; Parisi, Emmanuele; Murray, Brent; Tyler, Arwen I. I.; Simone, Elena. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7483. - 24:8(2024), pp. 3256-3268. [10.1021/acs.cgd.3c01506] | 1-gen-2024 | Parisi, EmmanueleSimone, Elena + | Xanthone_paper_clean.pdf; preston-et-al-2024-elucidating-the-polymorphism-of-xanthone-a-crystallization-and-characterization-study.pdf |
| Fabrication and stability of dual Pickering double emulsions stabilized with food-grade particles / Tenorio-Garcia, Elizabeth; Rappolt, Michael; Sadeghpour, Amin; Simone, Elena; Sarkar, Anwesha. - In: FOOD HYDROCOLLOIDS. - ISSN 0268-005X. - 156:(2024), pp. 1-12. [10.1016/j.foodhyd.2024.110327] | 1-gen-2024 | Simone, Elena + | Fabrication and stability of dual Pickering double emulsions stabilized with food-grade particles.pdf |
| Frustration of H-Bonding and Frustrated Packings in a Hexamorphic Crystal System with Reversible Crystal–Crystal Transitions / Parisi, Emmanuele; Santagata, Emanuela; Simone, Elena; Borbone, Fabio; Centore, Roberto. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - 146:28(2024), pp. 19405-19413. [10.1021/jacs.4c05559] | 1-gen-2024 | Parisi, EmmanueleSimone, Elena + | parisi-et-al-2024-frustration-of-h-bonding-and-frustrated-packings-in-a-hexamorphic-crystal-system-with-reversible.pdf |
| Predicting particle quality attributes of organic crystalline materials using Particle Informatics / Prandini, E.; Cali', E.; Maloney, A. G. P.; Parisi, E.; Simone, E.. - In: POWDER TECHNOLOGY. - ISSN 0032-5910. - 443:(2024). [10.1016/j.powtec.2024.119927] | 1-gen-2024 | Prandini E.Cali' E.Parisi E.Simone E. + | 1-s2.0-S0032591024005709-main.pdf |
| The Future of Industrial Crystallization / ter Horst, J. H.; Sefcik, J.; Simone, E.. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7483. - 24:21(2024), pp. 8667-8668. [10.1021/acs.cgd.4c01042] | 1-gen-2024 | Simone E. + | ter-horst-et-al-2024-the-future-of-industrial-crystallization.pdf |
| The use of polymorphic state modifiers in solid lipid microparticles: The role of structural modifications on drug release performance / Bertoni, Serena; Simone, Elena; Sangiorgi, Stefano; Albertini, Beatrice; Passerini, Nadia. - In: EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES. - ISSN 0928-0987. - 192:(2024), pp. 1-12. [10.1016/j.ejps.2023.106650] | 1-gen-2024 | Elena Simone + | The use of polymorphic state modifiers in solid lipid microparticles_ The role of structural modifications on drug release performance.pdf |
| Valorization of pyrolytic plastic-derived char for adsorption of wastewater contaminants: a kinetic and thermodynamic investigation / Barracco, F.; Parisi, E.; Pipitone, G.; Simone, E.; Bensaid, S.; Fino, D.. - In: INTERNATIONAL JOURNAL OF ENVIRONMENTAL SCIENCE AND TECHNOLOGY. - ISSN 1735-1472. - 21:9(2024), pp. 6513-6530. [10.1007/s13762-024-05467-1] | 1-gen-2024 | Barracco, F.Parisi, E.Pipitone, G.Simone, E.Bensaid, S.Fino, D. | Printed_version.pdf |
| Decoding the role of triacylglycerol composition in the milk fat crystallisation behaviour: A study using buffalo milk fat fractions / Pratama, Yoga; Seilert, Julia; Sadeghpour, Amin; Simone, Elena; Rappolt, Michael. - In: LEBENSMITTEL-WISSENSCHAFT + TECHNOLOGIE. - ISSN 0023-6438. - 186:(2023), pp. 1-14. [10.1016/j.lwt.2023.115274] | 1-gen-2023 | Elena Simone + | Main section_LWT_resubmission 260723 MR.docx; Decoding the role of triacylglycerol composition in the milk fat crystallisation behaviour_ A study using buffalo milk fat fractions.pdf |
| Development of a Digital Twin for the Prediction and Control of Supersaturation during Batch Cooling Crystallization / Leeming, Ryan; Mahmud, Tariq; Roberts, Kevin J.; George, Neil; Webb, Jennifer; Simone, Elena; Brown, Cameron J.. - In: INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. - ISSN 0888-5885. - (2023). [10.1021/acs.iecr.3c00371] | 1-gen-2023 | Elena Simone + | Final Manuscript-Digital Twin for Crystallisation - 16-06-2023-RL.docx; Development of a Digital Twin for the Prediction and Control of Supersaturation during Batch Cooling Crystallization.pdf |
| NAVIGATING THE COMPLEX SOLID FORM LANDSCAPE OF THE QUERCETIN FLAVONOID MOLECULE / Klitou, Panayiotis; Parisi, Emmanuele; Bordignon, Simone; Bravetti, Federica; Rosbottom, Ian; Dell’Aera, Marzia; Cuocci, Corrado; Chierotti, Michele R.; Altomare, Angela; Simone, Elena. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7505. - 23:8(2023), pp. 6034-6045. [10.1021/acs.cgd.3c00584] | 1-gen-2023 | Emmanuele ParisiElena Simone + | acs.cgd.3c00584.pdf; Typescript_complete_1july23.pdf |
| Pickering Water-in-oil Emulsions Stabilized Solely by Fat Crystals / Tenorio-Garcia, Elizabeth; Araiza-Calahorra, Andrea; Rappolt, Michael; Simone, Elena; Sarkar, Anwesha. - In: ADVANCED MATERIALS INTERFACES. - ISSN 2196-7350. - 10:31(2023). [10.1002/admi.202300190] | 1-gen-2023 | Elena Simone + | Adv Materials Inter - 2023 - Tenorio‐Garcia - Pickering Water‐in‐Oil Emulsions Stabilized Solely by Fat Crystals.pdf |
| Understanding the role of imidazolium-based ionic liquids in the electrochemical CO2 reduction reaction / Fortunati, Alessia; Risplendi, Francesca; RE FIORENTIN, Michele; Cicero, Giancarlo; Parisi, Emmanuele; Castellino, Micaela; Simone, Elena; Iliev, Boyan; Schubert, Thomas J. S.; Russo, Nunzio; Simelys, Hernández. - In: COMMUNICATIONS CHEMISTRY. - ISSN 2399-3669. - 6:(2023). [10.1038/s42004-023-00875-9] | 1-gen-2023 | Alessia FortunatiFrancesca RisplendiMichele Re FiorentinGiancarlo CiceroEmmanuele ParisiMicaela CastellinoElena SimoneNunzio RussoSimelys Hernández + | s42004-023-00875-9.pdf |
| Analysis of the Dissolution and Crystallization of Partly Immiscible Ternary Mixtures Using a Composite Sensor Array of In Situ ATR-FTIR, Laser Backscattering, and Imaging / Simone, Elena; Beveridge, Gillian; Sillers, Pauline; Webb, Jennifer; George, Neil; Hone, John. - In: INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. - ISSN 0888-5885. - ELETTRONICO. - 61:50(2022), pp. 18514-18529. [10.1021/acs.iecr.2c03494] | 1-gen-2022 | Elena Simone + | Syngenta_paper_Oct2022_clean.docx; acs.iecr.2c03494.pdf |
| Polymorphism of a Highly Asymmetrical Triacylglycerol in Milk Fat: 1-Butyryl 2-Stearoyl 3-Palmitoyl-glycerol / Pratama, Yoga; Burholt, Sam; Baker, Daniel L.; Sadeghpour, Amin; Simone, Elena; Rappolt, Michael. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7483. - ELETTRONICO. - 22:10(2022), pp. 6120-6130. [10.1021/acs.cgd.2c00713] | 1-gen-2022 | Elena Simone + | Polymorphism of butyric containing TAG - Accepted.docx; acs.cgd.2c00713.pdf |
| Real-time monitoring of fat crystallization using pulsed acoustic spectroscopy and supervised machine learning / Metilli, L.; Morris, L.; Lazidis, A.; Marty-Terrade, S.; Holmes, M.; Povey, M.; Simone, E.. - In: JOURNAL OF FOOD ENGINEERING. - ISSN 0260-8774. - ELETTRONICO. - 335:(2022), p. 111192. [10.1016/j.jfoodeng.2022.111192] | 1-gen-2022 | Simone E. + | Fat_ultrasound_manuscript_JFE_submission_June_figure_table.pdf; 1-s2.0-S0260877422002461-main.pdf |