[{"status":"public","license":"https://creativecommons.org/licenses/by/4.0/","issue":"9","ec_funded":1,"scopus_import":"1","file_date_updated":"2025-03-25T12:37:07Z","date_updated":"2025-09-30T11:17:58Z","publication":"Physical Review Letters","isi":1,"article_number":"096302","intvolume":"       134","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","ddc":["530"],"year":"2025","OA_place":"publisher","date_published":"2025-03-07T00:00:00Z","external_id":{"arxiv":["2407.19993"],"isi":["001492808800010"],"pmid":["40131090"]},"_id":"19437","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"We demonstrate the formation of ferroelectric domain-wall polarons in a minimal two-dimensional lattice model of electrons interacting with rotating dipoles. Along the domain wall, the rotors polarize in opposite directions, causing the electron to localize along a particular lattice direction. The rotor-electron coupling is identified as the origin of a structural instability in the crystal that leads to the domain-wall formation via a symmetry-breaking process. Our results provide the first theoretical description of ferroelectric polarons, as discussed in the context of soft semiconductors."}],"quality_controlled":"1","type":"journal_article","citation":{"ama":"Kluibenschedl F, Koutentakis G, Al Hyder R, Lemeshko M. Domain-wall ferroelectric polarons in a two-dimensional rotor lattice model. <i>Physical Review Letters</i>. 2025;134(9). doi:<a href=\"https://doi.org/10.1103/PhysRevLett.134.096302\">10.1103/PhysRevLett.134.096302</a>","ista":"Kluibenschedl F, Koutentakis G, Al Hyder R, Lemeshko M. 2025. Domain-wall ferroelectric polarons in a two-dimensional rotor lattice model. Physical Review Letters. 134(9), 096302.","chicago":"Kluibenschedl, Florian, Georgios Koutentakis, Ragheed Al Hyder, and Mikhail Lemeshko. “Domain-Wall Ferroelectric Polarons in a Two-Dimensional Rotor Lattice Model.” <i>Physical Review Letters</i>. American Physical Society, 2025. <a href=\"https://doi.org/10.1103/PhysRevLett.134.096302\">https://doi.org/10.1103/PhysRevLett.134.096302</a>.","mla":"Kluibenschedl, Florian, et al. “Domain-Wall Ferroelectric Polarons in a Two-Dimensional Rotor Lattice Model.” <i>Physical Review Letters</i>, vol. 134, no. 9, 096302, American Physical Society, 2025, doi:<a href=\"https://doi.org/10.1103/PhysRevLett.134.096302\">10.1103/PhysRevLett.134.096302</a>.","short":"F. Kluibenschedl, G. Koutentakis, R. Al Hyder, M. Lemeshko, Physical Review Letters 134 (2025).","ieee":"F. Kluibenschedl, G. Koutentakis, R. Al Hyder, and M. Lemeshko, “Domain-wall ferroelectric polarons in a two-dimensional rotor lattice model,” <i>Physical Review Letters</i>, vol. 134, no. 9. American Physical Society, 2025.","apa":"Kluibenschedl, F., Koutentakis, G., Al Hyder, R., &#38; Lemeshko, M. (2025). Domain-wall ferroelectric polarons in a two-dimensional rotor lattice model. <i>Physical Review Letters</i>. American Physical Society. <a href=\"https://doi.org/10.1103/PhysRevLett.134.096302\">https://doi.org/10.1103/PhysRevLett.134.096302</a>"},"day":"07","has_accepted_license":"1","article_processing_charge":"Yes (via OA deal)","corr_author":"1","tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"publisher":"American Physical Society","pmid":1,"oa":1,"doi":"10.1103/PhysRevLett.134.096302","acknowledgement":"We thank, in alphabetical order, Zhanybek Alpichshev, Cesare Franchini, Areg Ghazaryan, Sebastian Maehrlein, and Artem Volosniev for fruitful discussions and comments. G. M. K. received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 101034413. R. A. received funding from the Austrian Academy of Science ÖWA Grant No. PR1029OEAW03. M. L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON).","volume":134,"author":[{"id":"7499e70e-eb2c-11ec-b98b-f925648bc9d9","first_name":"Florian","last_name":"Kluibenschedl","full_name":"Kluibenschedl, Florian"},{"first_name":"Georgios","id":"d7b23d3a-9e21-11ec-b482-f76739596b95","full_name":"Koutentakis, Georgios","last_name":"Koutentakis"},{"first_name":"Ragheed","id":"d1c405be-ae15-11ed-8510-ccf53278162e","full_name":"Al Hyder, Ragheed","last_name":"Al Hyder"},{"orcid":"0000-0002-6990-7802","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","first_name":"Mikhail","last_name":"Lemeshko","full_name":"Lemeshko, Mikhail"}],"month":"03","department":[{"_id":"MiLe"}],"article_type":"original","project":[{"name":"IST-BRIDGE: International postdoctoral program","grant_number":"101034413","call_identifier":"H2020","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c"},{"name":"Angulon: physics and applications of a new quasiparticle","grant_number":"801770","call_identifier":"H2020","_id":"2688CF98-B435-11E9-9278-68D0E5697425"},{"_id":"8fa7db46-16d5-11f0-9cad-917600954daf","grant_number":"12078","name":"Polarons in Lead Halide Perovskites"}],"arxiv":1,"publication_identifier":{"eissn":["1079-7114"],"issn":["0031-9007"]},"title":"Domain-wall ferroelectric polarons in a two-dimensional rotor lattice model","date_created":"2025-03-23T23:01:25Z","OA_type":"hybrid","oa_version":"Published Version","publication_status":"published","file":[{"access_level":"open_access","date_created":"2025-03-25T12:37:07Z","file_size":708750,"success":1,"content_type":"application/pdf","file_name":"2025_PhysReviewLetters_Kluibenschedl.pdf","checksum":"1901efd7f95e8fe70cac412f91ea4da3","file_id":"19461","relation":"main_file","date_updated":"2025-03-25T12:37:07Z","creator":"dernst"}]},{"publication_status":"published","file":[{"file_name":"2024_IJMS_Kluibenschedl.pdf","checksum":"6c5eb6dc07af70a59251d2c6fed38894","creator":"dernst","relation":"main_file","date_updated":"2024-07-16T08:27:34Z","file_id":"17256","access_level":"open_access","date_created":"2024-07-16T08:27:34Z","file_size":3003139,"success":1,"content_type":"application/pdf"}],"publication_identifier":{"issn":["1387-3806"]},"oa_version":"Published Version","date_created":"2023-12-10T23:00:57Z","title":"Advanced motion tracking for interactive mass spectrometry imaging (IMSI)","oa":1,"doi":"10.1016/j.ijms.2023.117168","acknowledgement":"We would like to thank Marco Sealey Cardona, PhD for help with the mouse brain samples and acknowledge the financial support by 1669 Förderkreis of the University of Innsbruck, Austria Wirtschaftsservice (AWS), D. Swarovski KG and Tyrolean Science Fund (TWF).","department":[{"_id":"GradSch"}],"month":"01","article_type":"original","author":[{"last_name":"Kluibenschedl","full_name":"Kluibenschedl, Florian","first_name":"Florian","id":"7499e70e-eb2c-11ec-b98b-f925648bc9d9"},{"first_name":"Anna","full_name":"Ploner, Anna","last_name":"Ploner"},{"first_name":"Christina","last_name":"Meisenbichler","full_name":"Meisenbichler, Christina"},{"first_name":"Robert","full_name":"Konrat, Robert","last_name":"Konrat"},{"full_name":"Müller, Thomas","last_name":"Müller","first_name":"Thomas"}],"volume":495,"publisher":"Elsevier","article_processing_charge":"Yes (in subscription journal)","tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"quality_controlled":"1","type":"journal_article","external_id":{"isi":["001125054400001"]},"_id":"14653","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"Mass spectrometry imaging (MSI) is a powerful analytical technique for the two-dimensional (2D) localization of chemicals on surfaces. Conventional MSI experiments require to predefine the surface of interest based on photographic or microscopic images. Typically, these boundaries can no longer be changed or adjusted once the experiment has been started. In terms of a more interactive approach we recently developed a pen-like ionization interface which is directly connected to the mass spectrometer. The device allows the user to ionize chemicals by desorption electrospray ionization (DESI) and to freely move the interface over a surface of interest. A mini camera, which is mounted on the tip of the pen, magnifies the desorption area and enables a simple positioning of the pen. The combination of optical data from the camera module and chemical data obtained by mass analysis facilitates a novel type of imaging experiment: interactive mass spectrometry imaging (IMSI). For this application, we present a novel approach for a robust, optical flow-based motion detection. While the live video stream from the camera is used to track the pen's motion across the surface a post-acquisition algorithm correlates the coordinates of the pen trajectory with respective mass spectra obtained from a simultaneous mass spectrometric data acquisition. This algorithm is no longer dependent on a single, manually applied optical marker on the sample surface, which has to be visible on all video frames throughout the analysis. The advanced DESI-IMSI method was successfully tested on inkjet-printed letters as well as mouse brain tissue samples. Validation of the results was done by comparing DESI-IMSI with standard DESI-MSI data."}],"day":"01","citation":{"chicago":"Kluibenschedl, Florian, Anna Ploner, Christina Meisenbichler, Robert Konrat, and Thomas Müller. “Advanced Motion Tracking for Interactive Mass Spectrometry Imaging (IMSI).” <i>International Journal of Mass Spectrometry</i>. Elsevier, 2024. <a href=\"https://doi.org/10.1016/j.ijms.2023.117168\">https://doi.org/10.1016/j.ijms.2023.117168</a>.","ama":"Kluibenschedl F, Ploner A, Meisenbichler C, Konrat R, Müller T. Advanced motion tracking for interactive mass spectrometry imaging (IMSI). <i>International Journal of Mass Spectrometry</i>. 2024;495. doi:<a href=\"https://doi.org/10.1016/j.ijms.2023.117168\">10.1016/j.ijms.2023.117168</a>","ista":"Kluibenschedl F, Ploner A, Meisenbichler C, Konrat R, Müller T. 2024. Advanced motion tracking for interactive mass spectrometry imaging (IMSI). International Journal of Mass Spectrometry. 495, 117168.","apa":"Kluibenschedl, F., Ploner, A., Meisenbichler, C., Konrat, R., &#38; Müller, T. (2024). Advanced motion tracking for interactive mass spectrometry imaging (IMSI). <i>International Journal of Mass Spectrometry</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.ijms.2023.117168\">https://doi.org/10.1016/j.ijms.2023.117168</a>","mla":"Kluibenschedl, Florian, et al. “Advanced Motion Tracking for Interactive Mass Spectrometry Imaging (IMSI).” <i>International Journal of Mass Spectrometry</i>, vol. 495, 117168, Elsevier, 2024, doi:<a href=\"https://doi.org/10.1016/j.ijms.2023.117168\">10.1016/j.ijms.2023.117168</a>.","short":"F. Kluibenschedl, A. Ploner, C. Meisenbichler, R. Konrat, T. Müller, International Journal of Mass Spectrometry 495 (2024).","ieee":"F. Kluibenschedl, A. Ploner, C. Meisenbichler, R. Konrat, and T. Müller, “Advanced motion tracking for interactive mass spectrometry imaging (IMSI),” <i>International Journal of Mass Spectrometry</i>, vol. 495. Elsevier, 2024."},"has_accepted_license":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","ddc":["540"],"year":"2024","intvolume":"       495","article_number":"117168","date_published":"2024-01-01T00:00:00Z","file_date_updated":"2024-07-16T08:27:34Z","isi":1,"publication":"International Journal of Mass Spectrometry","date_updated":"2025-09-04T11:30:59Z","status":"public","scopus_import":"1"},{"citation":{"chicago":"Gamper, Jakob, Florian Kluibenschedl, Alexander K.H. Weiss, and Thomas S. Hofer. “Accessing Position Space Wave Functions in Band Structure Calculations of Periodic Systems - a Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems.” <i>Journal of Physical Chemistry Letters</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acs.jpclett.3c01707\">https://doi.org/10.1021/acs.jpclett.3c01707</a>.","ama":"Gamper J, Kluibenschedl F, Weiss AKH, Hofer TS. Accessing position space wave functions in band structure calculations of periodic systems - a generalized, adapted numerov implementation for one-, two-, and three-dimensional quantum problems. <i>Journal of Physical Chemistry Letters</i>. 2023;14(33):7395-7403. doi:<a href=\"https://doi.org/10.1021/acs.jpclett.3c01707\">10.1021/acs.jpclett.3c01707</a>","ista":"Gamper J, Kluibenschedl F, Weiss AKH, Hofer TS. 2023. Accessing position space wave functions in band structure calculations of periodic systems - a generalized, adapted numerov implementation for one-, two-, and three-dimensional quantum problems. Journal of Physical Chemistry Letters. 14(33), 7395–7403.","apa":"Gamper, J., Kluibenschedl, F., Weiss, A. K. H., &#38; Hofer, T. S. (2023). Accessing position space wave functions in band structure calculations of periodic systems - a generalized, adapted numerov implementation for one-, two-, and three-dimensional quantum problems. <i>Journal of Physical Chemistry Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.jpclett.3c01707\">https://doi.org/10.1021/acs.jpclett.3c01707</a>","mla":"Gamper, Jakob, et al. “Accessing Position Space Wave Functions in Band Structure Calculations of Periodic Systems - a Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems.” <i>Journal of Physical Chemistry Letters</i>, vol. 14, no. 33, American Chemical Society, 2023, pp. 7395–403, doi:<a href=\"https://doi.org/10.1021/acs.jpclett.3c01707\">10.1021/acs.jpclett.3c01707</a>.","short":"J. Gamper, F. Kluibenschedl, A.K.H. Weiss, T.S. Hofer, Journal of Physical Chemistry Letters 14 (2023) 7395–7403.","ieee":"J. Gamper, F. Kluibenschedl, A. K. H. Weiss, and T. S. Hofer, “Accessing position space wave functions in band structure calculations of periodic systems - a generalized, adapted numerov implementation for one-, two-, and three-dimensional quantum problems,” <i>Journal of Physical Chemistry Letters</i>, vol. 14, no. 33. American Chemical Society, pp. 7395–7403, 2023."},"day":"11","has_accepted_license":"1","external_id":{"pmid":["37566743"],"isi":["001048165800001"]},"language":[{"iso":"eng"}],"_id":"14261","abstract":[{"text":"In this work, a generalized, adapted Numerov implementation capable of determining band structures of periodic quantum systems is outlined. Based on the input potential, the presented approach numerically solves the Schrödinger equation in position space at each momentum space point. Thus, in addition to the band structure, the method inherently provides information about the state functions and probability densities in position space at each momentum space point considered. The generalized, adapted Numerov framework provided reliable estimates for a variety of increasingly complex test suites in one, two, and three dimensions. The accuracy of the proposed methodology was benchmarked against results obtained for the analytically solvable Kronig-Penney model. Furthermore, the presented numerical solver was applied to a model potential representing a 2D optical lattice being a challenging application relevant, for example, in the field of quantum computing.","lang":"eng"}],"quality_controlled":"1","type":"journal_article","date_published":"2023-08-11T00:00:00Z","intvolume":"        14","ddc":["530","540"],"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","year":"2023","publication":"Journal of Physical Chemistry Letters","date_updated":"2023-09-06T11:04:31Z","isi":1,"file_date_updated":"2023-09-06T07:32:39Z","issue":"33","scopus_import":"1","page":"7395-7403","status":"public","file":[{"relation":"main_file","date_updated":"2023-09-06T07:32:39Z","creator":"dernst","file_id":"14272","checksum":"637454e2b3a357498d8d622d241c4bf6","file_name":"2023_JourPhysChemistry_Gamper.pdf","success":1,"content_type":"application/pdf","file_size":4986859,"date_created":"2023-09-06T07:32:39Z","access_level":"open_access"}],"publication_status":"published","title":"Accessing position space wave functions in band structure calculations of periodic systems - a generalized, adapted numerov implementation for one-, two-, and three-dimensional quantum problems","date_created":"2023-09-03T22:01:16Z","oa_version":"Published Version","publication_identifier":{"eissn":["1948-7185"]},"author":[{"full_name":"Gamper, Jakob","last_name":"Gamper","first_name":"Jakob"},{"id":"7499e70e-eb2c-11ec-b98b-f925648bc9d9","first_name":"Florian","last_name":"Kluibenschedl","full_name":"Kluibenschedl, Florian"},{"first_name":"Alexander K.H.","full_name":"Weiss, Alexander K.H.","last_name":"Weiss"},{"last_name":"Hofer","full_name":"Hofer, Thomas S.","first_name":"Thomas S."}],"volume":14,"department":[{"_id":"GradSch"}],"month":"08","article_type":"original","oa":1,"doi":"10.1021/acs.jpclett.3c01707","acknowledgement":"Financial supports for this work via a PhD scholarship for J. Gamper issued by the Leopold-Franzens-University of Innsbruck (Vicerector Prof. Dr Ulrike Tanzer) are gratefully acknowledged. The computational results presented have been achieved (in part) using the HPC infrastructure of the University of Innsbruck.","pmid":1,"article_processing_charge":"Yes (in subscription journal)","tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"publisher":"American Chemical Society"},{"volume":24,"author":[{"full_name":"Gamper, Jakob","last_name":"Gamper","first_name":"Jakob"},{"last_name":"Kluibenschedl","full_name":"Kluibenschedl, Florian","id":"7499e70e-eb2c-11ec-b98b-f925648bc9d9","first_name":"Florian"},{"first_name":"Alexander K. H.","full_name":"Weiss, Alexander K. H.","last_name":"Weiss"},{"full_name":"Hofer, Thomas S.","last_name":"Hofer","first_name":"Thomas S."}],"article_type":"original","month":"10","doi":"10.1039/d2cp03921d","oa":1,"extern":"1","pmid":1,"article_processing_charge":"No","publisher":"Royal Society of Chemistry","publication_status":"published","title":"From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems","date_created":"2023-05-10T14:48:46Z","oa_version":"Published Version","publication_identifier":{"issn":["1463-9076","1463-9084"]},"keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"date_updated":"2023-05-15T07:54:08Z","publication":"Physical Chemistry Chemical Physics","issue":"41","scopus_import":"1","page":"25191-25202","status":"public","day":"04","citation":{"ieee":"J. Gamper, F. Kluibenschedl, A. K. H. Weiss, and T. S. Hofer, “From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems,” <i>Physical Chemistry Chemical Physics</i>, vol. 24, no. 41. Royal Society of Chemistry, pp. 25191–25202, 2022.","short":"J. Gamper, F. Kluibenschedl, A.K.H. Weiss, T.S. Hofer, Physical Chemistry Chemical Physics 24 (2022) 25191–25202.","mla":"Gamper, Jakob, et al. “From Vibrational Spectroscopy and Quantum Tunnelling to Periodic Band Structures – a Self-Supervised, All-Purpose Neural Network Approach to General Quantum Problems.” <i>Physical Chemistry Chemical Physics</i>, vol. 24, no. 41, Royal Society of Chemistry, 2022, pp. 25191–202, doi:<a href=\"https://doi.org/10.1039/d2cp03921d\">10.1039/d2cp03921d</a>.","apa":"Gamper, J., Kluibenschedl, F., Weiss, A. K. H., &#38; Hofer, T. S. (2022). From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems. <i>Physical Chemistry Chemical Physics</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/d2cp03921d\">https://doi.org/10.1039/d2cp03921d</a>","ista":"Gamper J, Kluibenschedl F, Weiss AKH, Hofer TS. 2022. From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems. Physical Chemistry Chemical Physics. 24(41), 25191–25202.","ama":"Gamper J, Kluibenschedl F, Weiss AKH, Hofer TS. From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems. <i>Physical Chemistry Chemical Physics</i>. 2022;24(41):25191-25202. doi:<a href=\"https://doi.org/10.1039/d2cp03921d\">10.1039/d2cp03921d</a>","chicago":"Gamper, Jakob, Florian Kluibenschedl, Alexander K. H. Weiss, and Thomas S. Hofer. “From Vibrational Spectroscopy and Quantum Tunnelling to Periodic Band Structures – a Self-Supervised, All-Purpose Neural Network Approach to General Quantum Problems.” <i>Physical Chemistry Chemical Physics</i>. Royal Society of Chemistry, 2022. <a href=\"https://doi.org/10.1039/d2cp03921d\">https://doi.org/10.1039/d2cp03921d</a>."},"_id":"12938","language":[{"iso":"eng"}],"abstract":[{"text":"In this work, a feed-forward artificial neural network (FF-ANN) design capable of locating eigensolutions to Schrödinger's equation via self-supervised learning is outlined. Based on the input potential determining the nature of the quantum problem, the presented FF-ANN strategy identifies valid solutions solely by minimizing Schrödinger's equation encoded in a suitably designed global loss function. In addition to benchmark calculations of prototype systems with known analytical solutions, the outlined methodology was also applied to experimentally accessible quantum systems, such as the vibrational states of molecular hydrogen H2 and its isotopologues HD and D2 as well as the torsional tunnel splitting in the phenol molecule. It is shown that in conjunction with the use of SIREN activation functions a high accuracy in the energy eigenvalues and wavefunctions is achieved without the requirement to adjust the implementation to the vastly different range of input potentials, thereby even considering problems under periodic boundary conditions.","lang":"eng"}],"external_id":{"pmid":["36254856"]},"type":"journal_article","quality_controlled":"1","date_published":"2022-10-04T00:00:00Z","main_file_link":[{"url":"https://doi.org/10.1039/D2CP03921D","open_access":"1"}],"intvolume":"        24","year":"2022","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87"},{"publication":"European Journal of Organic Chemistry","date_updated":"2023-05-15T07:57:14Z","issue":"29","scopus_import":"1","page":"4499-4509","status":"public","day":"09","citation":{"chicago":"Karg, Cornelia A., Pengyu Wang, Florian Kluibenschedl, Thomas Müller, Lars Allmendinger, Angelika M. Vollmar, and Simone Moser. “Phylloxanthobilins Are Abundant Linear Tetrapyrroles from Chlorophyll Breakdown with Activities against Cancer Cells.” <i>European Journal of Organic Chemistry</i>. Wiley, 2020. <a href=\"https://doi.org/10.1002/ejoc.202000692\">https://doi.org/10.1002/ejoc.202000692</a>.","ama":"Karg CA, Wang P, Kluibenschedl F, et al. Phylloxanthobilins are abundant linear tetrapyrroles from chlorophyll breakdown with activities against cancer cells. <i>European Journal of Organic Chemistry</i>. 2020;2020(29):4499-4509. doi:<a href=\"https://doi.org/10.1002/ejoc.202000692\">10.1002/ejoc.202000692</a>","ista":"Karg CA, Wang P, Kluibenschedl F, Müller T, Allmendinger L, Vollmar AM, Moser S. 2020. Phylloxanthobilins are abundant linear tetrapyrroles from chlorophyll breakdown with activities against cancer cells. European Journal of Organic Chemistry. 2020(29), 4499–4509.","apa":"Karg, C. A., Wang, P., Kluibenschedl, F., Müller, T., Allmendinger, L., Vollmar, A. M., &#38; Moser, S. (2020). Phylloxanthobilins are abundant linear tetrapyrroles from chlorophyll breakdown with activities against cancer cells. <i>European Journal of Organic Chemistry</i>. Wiley. <a href=\"https://doi.org/10.1002/ejoc.202000692\">https://doi.org/10.1002/ejoc.202000692</a>","mla":"Karg, Cornelia A., et al. “Phylloxanthobilins Are Abundant Linear Tetrapyrroles from Chlorophyll Breakdown with Activities against Cancer Cells.” <i>European Journal of Organic Chemistry</i>, vol. 2020, no. 29, Wiley, 2020, pp. 4499–509, doi:<a href=\"https://doi.org/10.1002/ejoc.202000692\">10.1002/ejoc.202000692</a>.","ieee":"C. A. Karg <i>et al.</i>, “Phylloxanthobilins are abundant linear tetrapyrroles from chlorophyll breakdown with activities against cancer cells,” <i>European Journal of Organic Chemistry</i>, vol. 2020, no. 29. Wiley, pp. 4499–4509, 2020.","short":"C.A. Karg, P. Wang, F. Kluibenschedl, T. Müller, L. Allmendinger, A.M. Vollmar, S. Moser, European Journal of Organic Chemistry 2020 (2020) 4499–4509."},"_id":"12939","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"Linear tetrapyrroles, called phyllobilins, are obtained as major catabolites upon chlorophyll degradation. Primarily, colorless phylloleucobilins featuring four deconjugated pyrrole units were identified. Their yellow counterparts, phylloxanthobilins, were discovered more recently. Although the two catabolites differ only by one double bond, physicochemical properties are very distinct. Moreover, the presence of the double bond seems to enhance physiologically relevant bioactivities: in contrast to phylloleucobilin, we identified a potent anti-proliferative activity for a phylloxanthobilin, and show that this natural product induces apoptotic cell death and a cell cycle arrest in cancer cells. Interestingly, upon modifying inactive phylloleucobilin by esterification, an anti-proliferative activity can be observed that increases with the chain lengths of the alkyl esters. We provide first evidence for anti-cancer activity of phyllobilins, report a novel plant source for a phylloxanthobilin, and by using paper spray MS, show that these bioactive yellow chlorophyll catabolites are more prevalent in Nature than previously assumed."}],"type":"journal_article","quality_controlled":"1","date_published":"2020-08-09T00:00:00Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1002/ejoc.202000692"}],"intvolume":"      2020","year":"2020","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","volume":2020,"author":[{"first_name":"Cornelia A.","last_name":"Karg","full_name":"Karg, Cornelia A."},{"first_name":"Pengyu","full_name":"Wang, Pengyu","last_name":"Wang"},{"id":"7499e70e-eb2c-11ec-b98b-f925648bc9d9","first_name":"Florian","full_name":"Kluibenschedl, Florian","last_name":"Kluibenschedl"},{"first_name":"Thomas","full_name":"Müller, Thomas","last_name":"Müller"},{"full_name":"Allmendinger, Lars","last_name":"Allmendinger","first_name":"Lars"},{"first_name":"Angelika M.","last_name":"Vollmar","full_name":"Vollmar, Angelika M."},{"last_name":"Moser","full_name":"Moser, Simone","first_name":"Simone"}],"article_type":"original","month":"08","oa":1,"doi":"10.1002/ejoc.202000692","extern":"1","article_processing_charge":"No","publisher":"Wiley","publication_status":"published","date_created":"2023-05-10T14:49:30Z","title":"Phylloxanthobilins are abundant linear tetrapyrroles from chlorophyll breakdown with activities against cancer cells","oa_version":"Published Version","publication_identifier":{"issn":["1434-193X","1099-0690"]},"keyword":["Organic Chemistry","Physical and Theoretical Chemistry"]},{"publication_status":"published","publication_identifier":{"issn":["0003-2700","1520-6882"]},"keyword":["Analytical Chemistry"],"oa_version":"Published Version","title":"A 3-in-1 hand-held ambient mass spectrometry interface for identification and 2D localization of chemicals on surfaces","date_created":"2023-05-10T14:50:19Z","doi":"10.1021/acs.analchem.0c02615","oa":1,"article_type":"letter_note","month":"10","author":[{"first_name":"Christina","full_name":"Meisenbichler, Christina","last_name":"Meisenbichler"},{"first_name":"Florian","id":"7499e70e-eb2c-11ec-b98b-f925648bc9d9","full_name":"Kluibenschedl, Florian","last_name":"Kluibenschedl"},{"first_name":"Thomas","last_name":"Müller","full_name":"Müller, Thomas"}],"volume":92,"publisher":"American Chemical Society","article_processing_charge":"No","pmid":1,"extern":"1","type":"journal_article","quality_controlled":"1","_id":"12940","abstract":[{"lang":"eng","text":"Desorption electrospray ionization (DESI), easy ambient sonic-spray ionization (EASI) and low-temperature plasma (LTP) ionization are powerful ambient ionization techniques for mass spectrometry. However, every single method has its limitation in terms of polarity and molecular weight of analyte molecules. After the miniaturization of every possible component of the different ion sources, we finally were able to embed two emitters and an ion transfer tubing into a small, hand-held device. The pen-like interface is connected to the mass spectrometer and a separate control unit via a bundle of flexible tubing and cables. The novel device allows the user to ionize an extended range of chemicals by simple switching between DESI, voltage-free EASI, or LTP ionization as well as to freely move the interface over a surface of interest. A mini camera, which is mounted on the tip of the pen, magnifies the desorption area and enables a simple positioning of the pen. The interface was successfully tested using different types of chemicals, pharmaceuticals, and real life samples. Moreover, the combination of optical data from the camera module and chemical data obtained by mass analysis facilitates a novel type of imaging mass spectrometry, which we name “interactive mass spectrometry imaging (IMSI)”."}],"language":[{"iso":"eng"}],"external_id":{"pmid":["33063994"]},"day":"16","citation":{"apa":"Meisenbichler, C., Kluibenschedl, F., &#38; Müller, T. (2020). A 3-in-1 hand-held ambient mass spectrometry interface for identification and 2D localization of chemicals on surfaces. <i>Analytical Chemistry</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.analchem.0c02615\">https://doi.org/10.1021/acs.analchem.0c02615</a>","short":"C. Meisenbichler, F. Kluibenschedl, T. Müller, Analytical Chemistry 92 (2020) 14314–14318.","ieee":"C. Meisenbichler, F. Kluibenschedl, and T. Müller, “A 3-in-1 hand-held ambient mass spectrometry interface for identification and 2D localization of chemicals on surfaces,” <i>Analytical Chemistry</i>, vol. 92, no. 21. American Chemical Society, pp. 14314–14318, 2020.","mla":"Meisenbichler, Christina, et al. “A 3-in-1 Hand-Held Ambient Mass Spectrometry Interface for Identification and 2D Localization of Chemicals on Surfaces.” <i>Analytical Chemistry</i>, vol. 92, no. 21, American Chemical Society, 2020, pp. 14314–18, doi:<a href=\"https://doi.org/10.1021/acs.analchem.0c02615\">10.1021/acs.analchem.0c02615</a>.","chicago":"Meisenbichler, Christina, Florian Kluibenschedl, and Thomas Müller. “A 3-in-1 Hand-Held Ambient Mass Spectrometry Interface for Identification and 2D Localization of Chemicals on Surfaces.” <i>Analytical Chemistry</i>. American Chemical Society, 2020. <a href=\"https://doi.org/10.1021/acs.analchem.0c02615\">https://doi.org/10.1021/acs.analchem.0c02615</a>.","ista":"Meisenbichler C, Kluibenschedl F, Müller T. 2020. A 3-in-1 hand-held ambient mass spectrometry interface for identification and 2D localization of chemicals on surfaces. Analytical Chemistry. 92(21), 14314–14318.","ama":"Meisenbichler C, Kluibenschedl F, Müller T. A 3-in-1 hand-held ambient mass spectrometry interface for identification and 2D localization of chemicals on surfaces. <i>Analytical Chemistry</i>. 2020;92(21):14314-14318. doi:<a href=\"https://doi.org/10.1021/acs.analchem.0c02615\">10.1021/acs.analchem.0c02615</a>"},"year":"2020","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","intvolume":"        92","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acs.analchem.0c02615"}],"date_published":"2020-10-16T00:00:00Z","date_updated":"2023-05-15T08:01:20Z","publication":"Analytical Chemistry","page":"14314-14318","status":"public","scopus_import":"1","issue":"21"}]