[{"publication":"Physical Chemistry Chemical Physics","type":"journal_article","abstract":[{"lang":"eng","text":"<jats:p>Charge transfer mechanism in the deprotonation-induced n-type doping of PCBM.</jats:p>"}],"status":"public","_id":"51221","department":[{"_id":"35"},{"_id":"15"}],"user_id":"61389","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"language":[{"iso":"eng"}],"publication_identifier":{"issn":["1463-9076","1463-9084"]},"publication_status":"published","issue":"5","year":"2024","page":"4194-4199","intvolume":"        26","citation":{"chicago":"Dong, Chuan-Ding, Fabian Bauch, Yuanyuan Hu, and Stefan Schumacher. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” <i>Physical Chemistry Chemical Physics</i> 26, no. 5 (2024): 4194–99. <a href=\"https://doi.org/10.1039/d3cp05105f\">https://doi.org/10.1039/d3cp05105f</a>.","ieee":"C.-D. Dong, F. Bauch, Y. Hu, and S. Schumacher, “Charge transfer in superbase n-type doping of PCBM induced by deprotonation,” <i>Physical Chemistry Chemical Physics</i>, vol. 26, no. 5, pp. 4194–4199, 2024, doi: <a href=\"https://doi.org/10.1039/d3cp05105f\">10.1039/d3cp05105f</a>.","ama":"Dong C-D, Bauch F, Hu Y, Schumacher S. Charge transfer in superbase n-type doping of PCBM induced by deprotonation. <i>Physical Chemistry Chemical Physics</i>. 2024;26(5):4194-4199. doi:<a href=\"https://doi.org/10.1039/d3cp05105f\">10.1039/d3cp05105f</a>","short":"C.-D. Dong, F. Bauch, Y. Hu, S. Schumacher, Physical Chemistry Chemical Physics 26 (2024) 4194–4199.","mla":"Dong, Chuan-Ding, et al. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” <i>Physical Chemistry Chemical Physics</i>, vol. 26, no. 5, Royal Society of Chemistry (RSC), 2024, pp. 4194–99, doi:<a href=\"https://doi.org/10.1039/d3cp05105f\">10.1039/d3cp05105f</a>.","bibtex":"@article{Dong_Bauch_Hu_Schumacher_2024, title={Charge transfer in superbase n-type doping of PCBM induced by deprotonation}, volume={26}, DOI={<a href=\"https://doi.org/10.1039/d3cp05105f\">10.1039/d3cp05105f</a>}, number={5}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Bauch, Fabian and Hu, Yuanyuan and Schumacher, Stefan}, year={2024}, pages={4194–4199} }","apa":"Dong, C.-D., Bauch, F., Hu, Y., &#38; Schumacher, S. (2024). Charge transfer in superbase n-type doping of PCBM induced by deprotonation. <i>Physical Chemistry Chemical Physics</i>, <i>26</i>(5), 4194–4199. <a href=\"https://doi.org/10.1039/d3cp05105f\">https://doi.org/10.1039/d3cp05105f</a>"},"publisher":"Royal Society of Chemistry (RSC)","date_updated":"2024-02-07T14:35:55Z","volume":26,"date_created":"2024-02-07T14:15:44Z","author":[{"id":"67188","full_name":"Dong, Chuan-Ding","last_name":"Dong","first_name":"Chuan-Ding"},{"last_name":"Bauch","orcid":"0009-0008-6279-077X","full_name":"Bauch, Fabian","id":"61389","first_name":"Fabian"},{"full_name":"Hu, Yuanyuan","last_name":"Hu","first_name":"Yuanyuan"},{"first_name":"Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","full_name":"Schumacher, Stefan","id":"27271"}],"title":"Charge transfer in superbase n-type doping of PCBM induced by deprotonation","doi":"10.1039/d3cp05105f"},{"date_updated":"2024-03-13T17:17:37Z","publisher":"Wiley","date_created":"2024-03-13T17:15:14Z","author":[{"first_name":"Sebastian","full_name":"Peschtrich, Sebastian","last_name":"Peschtrich"},{"first_name":"Roland","orcid":"0000-0003-2061-7289","last_name":"Schoch","id":"48467","full_name":"Schoch, Roland"},{"full_name":"Kuckling, Dirk","id":"287","last_name":"Kuckling","first_name":"Dirk"},{"first_name":"Jan","orcid":"0000-0002-3698-668X","last_name":"Paradies","full_name":"Paradies, Jan","id":"53339"}],"volume":27,"title":"A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes","doi":"10.1002/ejoc.202301207","publication_status":"published","publication_identifier":{"issn":["1434-193X","1099-0690"]},"issue":"8","year":"2024","citation":{"apa":"Peschtrich, S., Schoch, R., Kuckling, D., &#38; Paradies, J. (2024). A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes. <i>European Journal of Organic Chemistry</i>, <i>27</i>(8). <a href=\"https://doi.org/10.1002/ejoc.202301207\">https://doi.org/10.1002/ejoc.202301207</a>","mla":"Peschtrich, Sebastian, et al. “A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes.” <i>European Journal of Organic Chemistry</i>, vol. 27, no. 8, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/ejoc.202301207\">10.1002/ejoc.202301207</a>.","bibtex":"@article{Peschtrich_Schoch_Kuckling_Paradies_2024, title={A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes}, volume={27}, DOI={<a href=\"https://doi.org/10.1002/ejoc.202301207\">10.1002/ejoc.202301207</a>}, number={8}, journal={European Journal of Organic Chemistry}, publisher={Wiley}, author={Peschtrich, Sebastian and Schoch, Roland and Kuckling, Dirk and Paradies, Jan}, year={2024} }","short":"S. Peschtrich, R. Schoch, D. Kuckling, J. Paradies, European Journal of Organic Chemistry 27 (2024).","ieee":"S. Peschtrich, R. Schoch, D. Kuckling, and J. Paradies, “A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes,” <i>European Journal of Organic Chemistry</i>, vol. 27, no. 8, 2024, doi: <a href=\"https://doi.org/10.1002/ejoc.202301207\">10.1002/ejoc.202301207</a>.","chicago":"Peschtrich, Sebastian, Roland Schoch, Dirk Kuckling, and Jan Paradies. “A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes.” <i>European Journal of Organic Chemistry</i> 27, no. 8 (2024). <a href=\"https://doi.org/10.1002/ejoc.202301207\">https://doi.org/10.1002/ejoc.202301207</a>.","ama":"Peschtrich S, Schoch R, Kuckling D, Paradies J. A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes. <i>European Journal of Organic Chemistry</i>. 2024;27(8). doi:<a href=\"https://doi.org/10.1002/ejoc.202301207\">10.1002/ejoc.202301207</a>"},"intvolume":"        27","_id":"52541","user_id":"53339","department":[{"_id":"2"},{"_id":"389"}],"keyword":["Organic Chemistry","Physical and Theoretical Chemistry"],"language":[{"iso":"eng"}],"type":"journal_article","publication":"European Journal of Organic Chemistry","abstract":[{"text":"<jats:title>Abstract</jats:title><jats:p>We conducted an investigation into the palladium‐catalyzed carbon‐sulfur cross‐coupling reaction involving a 2‐bromothiophene derivative and potassium thioacetate as a substitute for hydrogen sulfide. This investigation utilized kinetic and computational methods. We synthesized two palladium complexes supported by the bisphosphane ligands bis(diphenylphosphino)ferrocene (DPPF) and bis(diisopropylphosphino)ferrocene (D<jats:italic>i</jats:italic>PPF), as well as their tentative intermediates in the catalytic cycle. Reaction rates were measured and then compared to computational predictions.</jats:p>","lang":"eng"}],"status":"public"},{"issue":"8","year":"2024","date_created":"2024-03-13T12:23:15Z","publisher":"American Chemical Society (ACS)","title":"Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers","publication":"The Journal of Physical Chemistry C","language":[{"iso":"eng"}],"keyword":["Surfaces","Coatings and Films","Physical and Theoretical Chemistry","General Energy","Electronic","Optical and Magnetic Materials"],"publication_status":"published","publication_identifier":{"issn":["1932-7447","1932-7455"]},"citation":{"mla":"Bauch, Fabian, et al. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” <i>The Journal of Physical Chemistry C</i>, vol. 128, no. 8, American Chemical Society (ACS), 2024, pp. 3525–32, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">10.1021/acs.jpcc.3c07513</a>.","bibtex":"@article{Bauch_Dong_Schumacher_2024, title={Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers}, volume={128}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">10.1021/acs.jpcc.3c07513</a>}, number={8}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2024}, pages={3525–3532} }","short":"F. Bauch, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 128 (2024) 3525–3532.","apa":"Bauch, F., Dong, C.-D., &#38; Schumacher, S. (2024). Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. <i>The Journal of Physical Chemistry C</i>, <i>128</i>(8), 3525–3532. <a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">https://doi.org/10.1021/acs.jpcc.3c07513</a>","ieee":"F. Bauch, C.-D. Dong, and S. Schumacher, “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers,” <i>The Journal of Physical Chemistry C</i>, vol. 128, no. 8, pp. 3525–3532, 2024, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">10.1021/acs.jpcc.3c07513</a>.","chicago":"Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” <i>The Journal of Physical Chemistry C</i> 128, no. 8 (2024): 3525–32. <a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">https://doi.org/10.1021/acs.jpcc.3c07513</a>.","ama":"Bauch F, Dong C-D, Schumacher S. Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. <i>The Journal of Physical Chemistry C</i>. 2024;128(8):3525-3532. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c07513\">10.1021/acs.jpcc.3c07513</a>"},"intvolume":"       128","page":"3525-3532","author":[{"id":"61389","full_name":"Bauch, Fabian","orcid":"0009-0008-6279-077X","last_name":"Bauch","first_name":"Fabian"},{"first_name":"Chuan-Ding","id":"67188","full_name":"Dong, Chuan-Ding","last_name":"Dong"},{"first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271","orcid":"0000-0003-4042-4951","last_name":"Schumacher"}],"volume":128,"date_updated":"2024-03-14T09:27:57Z","doi":"10.1021/acs.jpcc.3c07513","type":"journal_article","status":"public","user_id":"61389","department":[{"_id":"35"},{"_id":"15"}],"_id":"52534"},{"citation":{"ama":"Schuster L, Olfert V, Sherepenko O, et al. Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints. <i>steel research international</i>. Published online 2024. doi:<a href=\"https://doi.org/10.1002/srin.202300530\">10.1002/srin.202300530</a>","chicago":"Schuster, Lilia, Viktoria Olfert, Oleksii Sherepenko, Clemens Fehrenbach, Shiyuan Song, David Hein, Gerson Meschut, Elliot Biro, and Sebastian Münstermann. “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints.” <i>Steel Research International</i>, 2024. <a href=\"https://doi.org/10.1002/srin.202300530\">https://doi.org/10.1002/srin.202300530</a>.","ieee":"L. Schuster <i>et al.</i>, “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints,” <i>steel research international</i>, 2024, doi: <a href=\"https://doi.org/10.1002/srin.202300530\">10.1002/srin.202300530</a>.","apa":"Schuster, L., Olfert, V., Sherepenko, O., Fehrenbach, C., Song, S., Hein, D., Meschut, G., Biro, E., &#38; Münstermann, S. (2024). Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints. <i>Steel Research International</i>. <a href=\"https://doi.org/10.1002/srin.202300530\">https://doi.org/10.1002/srin.202300530</a>","bibtex":"@article{Schuster_Olfert_Sherepenko_Fehrenbach_Song_Hein_Meschut_Biro_Münstermann_2024, title={Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints}, DOI={<a href=\"https://doi.org/10.1002/srin.202300530\">10.1002/srin.202300530</a>}, journal={steel research international}, publisher={Wiley}, author={Schuster, Lilia and Olfert, Viktoria and Sherepenko, Oleksii and Fehrenbach, Clemens and Song, Shiyuan and Hein, David and Meschut, Gerson and Biro, Elliot and Münstermann, Sebastian}, year={2024} }","short":"L. Schuster, V. Olfert, O. Sherepenko, C. Fehrenbach, S. Song, D. Hein, G. Meschut, E. Biro, S. Münstermann, Steel Research International (2024).","mla":"Schuster, Lilia, et al. “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints.” <i>Steel Research International</i>, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/srin.202300530\">10.1002/srin.202300530</a>."},"year":"2024","publication_status":"published","publication_identifier":{"issn":["1611-3683","1869-344X"]},"quality_controlled":"1","doi":"10.1002/srin.202300530","title":"Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints","author":[{"full_name":"Schuster, Lilia","last_name":"Schuster","first_name":"Lilia"},{"id":"5974","full_name":"Olfert, Viktoria","last_name":"Olfert","first_name":"Viktoria"},{"full_name":"Sherepenko, Oleksii","last_name":"Sherepenko","first_name":"Oleksii"},{"full_name":"Fehrenbach, Clemens","last_name":"Fehrenbach","first_name":"Clemens"},{"full_name":"Song, Shiyuan","last_name":"Song","first_name":"Shiyuan"},{"first_name":"David","last_name":"Hein","id":"7728","full_name":"Hein, David"},{"first_name":"Gerson","id":"32056","full_name":"Meschut, Gerson","last_name":"Meschut","orcid":"0000-0002-2763-1246"},{"first_name":"Elliot","last_name":"Biro","full_name":"Biro, Elliot"},{"first_name":"Sebastian","full_name":"Münstermann, Sebastian","last_name":"Münstermann"}],"date_created":"2024-01-22T09:17:07Z","date_updated":"2024-03-18T12:49:31Z","publisher":"Wiley","status":"public","abstract":[{"lang":"eng","text":"<jats:p>Resistance spot‐welded joints containing press‐hardened steels are seen to exhibit a fracture mode called total dome failure, where the weld nugget completely separates from one steel sheet along the weld nugget edge. The effect of weld nugget shape and material property gradients is studied based on damage mechanics modeling and experimental validation to shed light on the underlying influencing factors. For a three‐steel‐sheet spot‐welded joint combining DP600 (1.5 mm)–CR1900T (1.0 mm)–CR1900T (1.0 mm), experiments under shear loading reveal that fracture occurs in the DP600 sheet along the weld nugget edge. In subsequent numerical simulation studies with damage mechanics models whose parameters are independently calibrated for every involved material configuration, three variations of the geometrical joint configuration are considered—an approximation of the real joint, one variation with a steeper weld nugget shape, and one variation with a less pronounced gradient between weld nugget material and heat‐affected zone material properties. The results of the finite‐element simulations show that a shallower weld nugget and a more pronounced material gradient lead to a faster increase of plastic strain at the edge of the weld nugget and promote the occurrence of total dome failure.</jats:p>"}],"type":"journal_article","publication":"steel research international","language":[{"iso":"eng"}],"keyword":["Materials Chemistry","Metals and Alloys","Physical and Theoretical Chemistry","Condensed Matter Physics"],"user_id":"5974","department":[{"_id":"157"}],"_id":"50726"},{"publication":"Physical Chemistry Chemical Physics","abstract":[{"text":"The seven parallel dissociative ionization channels of benzonitrile yield highly stable fragment ions with commensurate abundance, underlining the potential role of the benzonitrile cation as hub species in the interstellar medium.","lang":"eng"}],"language":[{"iso":"eng"}],"keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"issue":"42","quality_controlled":"1","year":"2023","date_created":"2023-11-07T07:24:53Z","publisher":"Royal Society of Chemistry (RSC)","title":"Threshold photoelectron spectroscopy and dissociative photoionization of benzonitrile","type":"journal_article","status":"public","user_id":"98339","department":[{"_id":"728"}],"_id":"48639","article_type":"original","publication_status":"published","publication_identifier":{"issn":["1463-9076","1463-9084"]},"citation":{"bibtex":"@article{Kamer_Schleier_Donker_Hemberger_Bodi_Bouwman_2023, title={Threshold photoelectron spectroscopy and dissociative photoionization of benzonitrile}, volume={25}, DOI={<a href=\"https://doi.org/10.1039/d3cp03977c\">10.1039/d3cp03977c</a>}, number={42}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Kamer, Jerry and Schleier, Domenik and Donker, Merel and Hemberger, Patrick and Bodi, Andras and Bouwman, Jordy}, year={2023}, pages={29070–29079} }","short":"J. Kamer, D. Schleier, M. Donker, P. Hemberger, A. Bodi, J. Bouwman, Physical Chemistry Chemical Physics 25 (2023) 29070–29079.","mla":"Kamer, Jerry, et al. “Threshold Photoelectron Spectroscopy and Dissociative Photoionization of Benzonitrile.” <i>Physical Chemistry Chemical Physics</i>, vol. 25, no. 42, Royal Society of Chemistry (RSC), 2023, pp. 29070–79, doi:<a href=\"https://doi.org/10.1039/d3cp03977c\">10.1039/d3cp03977c</a>.","apa":"Kamer, J., Schleier, D., Donker, M., Hemberger, P., Bodi, A., &#38; Bouwman, J. (2023). Threshold photoelectron spectroscopy and dissociative photoionization of benzonitrile. <i>Physical Chemistry Chemical Physics</i>, <i>25</i>(42), 29070–29079. <a href=\"https://doi.org/10.1039/d3cp03977c\">https://doi.org/10.1039/d3cp03977c</a>","ama":"Kamer J, Schleier D, Donker M, Hemberger P, Bodi A, Bouwman J. Threshold photoelectron spectroscopy and dissociative photoionization of benzonitrile. <i>Physical Chemistry Chemical Physics</i>. 2023;25(42):29070-29079. doi:<a href=\"https://doi.org/10.1039/d3cp03977c\">10.1039/d3cp03977c</a>","ieee":"J. Kamer, D. Schleier, M. Donker, P. Hemberger, A. Bodi, and J. Bouwman, “Threshold photoelectron spectroscopy and dissociative photoionization of benzonitrile,” <i>Physical Chemistry Chemical Physics</i>, vol. 25, no. 42, pp. 29070–29079, 2023, doi: <a href=\"https://doi.org/10.1039/d3cp03977c\">10.1039/d3cp03977c</a>.","chicago":"Kamer, Jerry, Domenik Schleier, Merel Donker, Patrick Hemberger, Andras Bodi, and Jordy Bouwman. “Threshold Photoelectron Spectroscopy and Dissociative Photoionization of Benzonitrile.” <i>Physical Chemistry Chemical Physics</i> 25, no. 42 (2023): 29070–79. <a href=\"https://doi.org/10.1039/d3cp03977c\">https://doi.org/10.1039/d3cp03977c</a>."},"intvolume":"        25","page":"29070-29079","author":[{"first_name":"Jerry","last_name":"Kamer","full_name":"Kamer, Jerry"},{"full_name":"Schleier, Domenik","id":"98339","last_name":"Schleier","first_name":"Domenik"},{"full_name":"Donker, Merel","last_name":"Donker","first_name":"Merel"},{"first_name":"Patrick","last_name":"Hemberger","full_name":"Hemberger, Patrick"},{"first_name":"Andras","full_name":"Bodi, Andras","last_name":"Bodi"},{"last_name":"Bouwman","full_name":"Bouwman, Jordy","first_name":"Jordy"}],"volume":25,"date_updated":"2023-11-13T08:00:52Z","doi":"10.1039/d3cp03977c"},{"volume":127,"author":[{"first_name":"Stephanie L.","last_name":"Moffitt","full_name":"Moffitt, Stephanie L."},{"last_name":"Cao","full_name":"Cao, Chuntian","first_name":"Chuntian"},{"full_name":"Van Hest, Maikel F. A. M.","last_name":"Van Hest","first_name":"Maikel F. A. M."},{"first_name":"Laura T.","full_name":"Schelhas, Laura T.","last_name":"Schelhas"},{"last_name":"Steinrück","orcid":"0000-0001-6373-0877","id":"84268","full_name":"Steinrück, Hans-Georg","first_name":"Hans-Georg"},{"last_name":"Toney","full_name":"Toney, Michael F.","first_name":"Michael F."}],"date_created":"2023-11-30T10:08:46Z","publisher":"American Chemical Society (ACS)","date_updated":"2023-11-30T10:09:26Z","doi":"10.1021/acs.jpcc.3c06410","title":"Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing","issue":"47","publication_identifier":{"issn":["1932-7447","1932-7455"]},"publication_status":"published","page":"23099–23108","intvolume":"       127","citation":{"mla":"Moffitt, Stephanie L., et al. “Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing.” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 47, American Chemical Society (ACS), 2023, pp. 23099–23108, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c06410\">10.1021/acs.jpcc.3c06410</a>.","short":"S.L. Moffitt, C. Cao, M.F.A.M. Van Hest, L.T. Schelhas, H.-G. Steinrück, M.F. Toney, The Journal of Physical Chemistry C 127 (2023) 23099–23108.","bibtex":"@article{Moffitt_Cao_Van Hest_Schelhas_Steinrück_Toney_2023, title={Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing}, volume={127}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.3c06410\">10.1021/acs.jpcc.3c06410</a>}, number={47}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Moffitt, Stephanie L. and Cao, Chuntian and Van Hest, Maikel F. A. M. and Schelhas, Laura T. and Steinrück, Hans-Georg and Toney, Michael F.}, year={2023}, pages={23099–23108} }","apa":"Moffitt, S. L., Cao, C., Van Hest, M. F. A. M., Schelhas, L. T., Steinrück, H.-G., &#38; Toney, M. F. (2023). Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing. <i>The Journal of Physical Chemistry C</i>, <i>127</i>(47), 23099–23108. <a href=\"https://doi.org/10.1021/acs.jpcc.3c06410\">https://doi.org/10.1021/acs.jpcc.3c06410</a>","ama":"Moffitt SL, Cao C, Van Hest MFAM, Schelhas LT, Steinrück H-G, Toney MF. Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing. <i>The Journal of Physical Chemistry C</i>. 2023;127(47):23099–23108. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c06410\">10.1021/acs.jpcc.3c06410</a>","ieee":"S. L. Moffitt, C. Cao, M. F. A. M. Van Hest, L. T. Schelhas, H.-G. Steinrück, and M. F. Toney, “Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing,” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 47, pp. 23099–23108, 2023, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.3c06410\">10.1021/acs.jpcc.3c06410</a>.","chicago":"Moffitt, Stephanie L., Chuntian Cao, Maikel F. A. M. Van Hest, Laura T. Schelhas, Hans-Georg Steinrück, and Michael F. Toney. “Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing.” <i>The Journal of Physical Chemistry C</i> 127, no. 47 (2023): 23099–23108. <a href=\"https://doi.org/10.1021/acs.jpcc.3c06410\">https://doi.org/10.1021/acs.jpcc.3c06410</a>."},"year":"2023","department":[{"_id":"633"}],"user_id":"84268","_id":"49356","language":[{"iso":"eng"}],"keyword":["Surfaces","Coatings and Films","Physical and Theoretical Chemistry","General Energy","Electronic","Optical and Magnetic Materials"],"publication":"The Journal of Physical Chemistry C","type":"journal_article","status":"public"},{"date_created":"2024-01-04T08:24:31Z","author":[{"first_name":"Patrick","last_name":"Müller","full_name":"Müller, Patrick"},{"first_name":"Mergim","last_name":"Meta","full_name":"Meta, Mergim"},{"full_name":"Meidner, Jan Laurenz","last_name":"Meidner","first_name":"Jan Laurenz"},{"full_name":"Schwickert, Marvin","last_name":"Schwickert","first_name":"Marvin"},{"full_name":"Meyr, Jessica","last_name":"Meyr","first_name":"Jessica"},{"full_name":"Schwickert, Kevin","last_name":"Schwickert","first_name":"Kevin"},{"last_name":"Kersten","full_name":"Kersten, Christian","first_name":"Christian"},{"full_name":"Zimmer, Collin","last_name":"Zimmer","first_name":"Collin"},{"first_name":"Stefan Josef","last_name":"Hammerschmidt","full_name":"Hammerschmidt, Stefan Josef"},{"last_name":"Frey","full_name":"Frey, Ariane","first_name":"Ariane"},{"full_name":"Lahu, Albin","last_name":"Lahu","first_name":"Albin"},{"last_name":"de la Hoz-Rodríguez","full_name":"de la Hoz-Rodríguez, Sergio","first_name":"Sergio"},{"full_name":"Agost-Beltrán, Laura","last_name":"Agost-Beltrán","first_name":"Laura"},{"first_name":"Santiago","last_name":"Rodríguez","full_name":"Rodríguez, Santiago"},{"last_name":"Diemer","full_name":"Diemer, Kira","first_name":"Kira"},{"full_name":"Neumann, Wilhelm","last_name":"Neumann","first_name":"Wilhelm"},{"last_name":"Gonzàlez","full_name":"Gonzàlez, Florenci V.","first_name":"Florenci V."},{"first_name":"Bernd","last_name":"Engels","full_name":"Engels, Bernd"},{"first_name":"Tanja","last_name":"Schirmeister","full_name":"Schirmeister, Tanja"}],"volume":24,"publisher":"MDPI AG","date_updated":"2024-01-05T12:59:32Z","doi":"10.3390/ijms24087226","title":"Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study","issue":"8","publication_status":"published","publication_identifier":{"issn":["1422-0067"]},"citation":{"bibtex":"@article{Müller_Meta_Meidner_Schwickert_Meyr_Schwickert_Kersten_Zimmer_Hammerschmidt_Frey_et al._2023, title={Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study}, volume={24}, DOI={<a href=\"https://doi.org/10.3390/ijms24087226\">10.3390/ijms24087226</a>}, number={87226}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Müller, Patrick and Meta, Mergim and Meidner, Jan Laurenz and Schwickert, Marvin and Meyr, Jessica and Schwickert, Kevin and Kersten, Christian and Zimmer, Collin and Hammerschmidt, Stefan Josef and Frey, Ariane and et al.}, year={2023} }","mla":"Müller, Patrick, et al. “Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study.” <i>International Journal of Molecular Sciences</i>, vol. 24, no. 8, 7226, MDPI AG, 2023, doi:<a href=\"https://doi.org/10.3390/ijms24087226\">10.3390/ijms24087226</a>.","short":"P. Müller, M. Meta, J.L. Meidner, M. Schwickert, J. Meyr, K. Schwickert, C. Kersten, C. Zimmer, S.J. Hammerschmidt, A. Frey, A. Lahu, S. de la Hoz-Rodríguez, L. Agost-Beltrán, S. Rodríguez, K. Diemer, W. Neumann, F.V. Gonzàlez, B. Engels, T. Schirmeister, International Journal of Molecular Sciences 24 (2023).","apa":"Müller, P., Meta, M., Meidner, J. L., Schwickert, M., Meyr, J., Schwickert, K., Kersten, C., Zimmer, C., Hammerschmidt, S. J., Frey, A., Lahu, A., de la Hoz-Rodríguez, S., Agost-Beltrán, L., Rodríguez, S., Diemer, K., Neumann, W., Gonzàlez, F. V., Engels, B., &#38; Schirmeister, T. (2023). Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study. <i>International Journal of Molecular Sciences</i>, <i>24</i>(8), Article 7226. <a href=\"https://doi.org/10.3390/ijms24087226\">https://doi.org/10.3390/ijms24087226</a>","chicago":"Müller, Patrick, Mergim Meta, Jan Laurenz Meidner, Marvin Schwickert, Jessica Meyr, Kevin Schwickert, Christian Kersten, et al. “Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study.” <i>International Journal of Molecular Sciences</i> 24, no. 8 (2023). <a href=\"https://doi.org/10.3390/ijms24087226\">https://doi.org/10.3390/ijms24087226</a>.","ieee":"P. Müller <i>et al.</i>, “Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study,” <i>International Journal of Molecular Sciences</i>, vol. 24, no. 8, Art. no. 7226, 2023, doi: <a href=\"https://doi.org/10.3390/ijms24087226\">10.3390/ijms24087226</a>.","ama":"Müller P, Meta M, Meidner JL, et al. Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study. <i>International Journal of Molecular Sciences</i>. 2023;24(8). doi:<a href=\"https://doi.org/10.3390/ijms24087226\">10.3390/ijms24087226</a>"},"intvolume":"        24","year":"2023","user_id":"67287","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"50150","language":[{"iso":"eng"}],"article_number":"7226","keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Computer Science Applications","Spectroscopy","Molecular Biology","General Medicine","Catalysis"],"type":"journal_article","publication":"International Journal of Molecular Sciences","status":"public","abstract":[{"text":"<jats:p>Covalent peptidomimetic protease inhibitors have gained a lot of attention in drug development in recent years. They are designed to covalently bind the catalytically active amino acids through electrophilic groups called warheads. Covalent inhibition has an advantage in terms of pharmacodynamic properties but can also bear toxicity risks due to non-selective off-target protein binding. Therefore, the right combination of a reactive warhead with a well-suited peptidomimetic sequence is of great importance. Herein, the selectivities of well-known warheads combined with peptidomimetic sequences suited for five different proteases were investigated, highlighting the impact of both structure parts (warhead and peptidomimetic sequence) for affinity and selectivity. Molecular docking gave insights into the predicted binding modes of the inhibitors inside the binding pockets of the different enzymes. Moreover, the warheads were investigated by NMR and LC-MS reactivity assays against serine/threonine and cysteine nucleophile models, as well as by quantum mechanics simulations.</jats:p>","lang":"eng"}]},{"author":[{"full_name":"Duderija, Belma","last_name":"Duderija","first_name":"Belma"},{"first_name":"Alejandro","full_name":"González-Orive, Alejandro","last_name":"González-Orive"},{"last_name":"Ebbert","full_name":"Ebbert, Christoph","first_name":"Christoph"},{"first_name":"Vanessa","full_name":"Neßlinger, Vanessa","last_name":"Neßlinger"},{"full_name":"Keller, Adrian","last_name":"Keller","first_name":"Adrian"},{"full_name":"Grundmeier, Guido","last_name":"Grundmeier","first_name":"Guido"}],"date_created":"2023-07-12T07:55:40Z","volume":28,"date_updated":"2024-02-06T12:33:55Z","publisher":"MDPI AG","doi":"10.3390/molecules28135109","title":"Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy","issue":"13","publication_status":"published","publication_identifier":{"issn":["1420-3049"]},"citation":{"short":"B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, G. Grundmeier, Molecules 28 (2023).","mla":"Duderija, Belma, et al. “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.” <i>Molecules</i>, vol. 28, no. 13, 5109, MDPI AG, 2023, doi:<a href=\"https://doi.org/10.3390/molecules28135109\">10.3390/molecules28135109</a>.","bibtex":"@article{Duderija_González-Orive_Ebbert_Neßlinger_Keller_Grundmeier_2023, title={Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy}, volume={28}, DOI={<a href=\"https://doi.org/10.3390/molecules28135109\">10.3390/molecules28135109</a>}, number={135109}, journal={Molecules}, publisher={MDPI AG}, author={Duderija, Belma and González-Orive, Alejandro and Ebbert, Christoph and Neßlinger, Vanessa and Keller, Adrian and Grundmeier, Guido}, year={2023} }","apa":"Duderija, B., González-Orive, A., Ebbert, C., Neßlinger, V., Keller, A., &#38; Grundmeier, G. (2023). Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy. <i>Molecules</i>, <i>28</i>(13), Article 5109. <a href=\"https://doi.org/10.3390/molecules28135109\">https://doi.org/10.3390/molecules28135109</a>","ama":"Duderija B, González-Orive A, Ebbert C, Neßlinger V, Keller A, Grundmeier G. Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy. <i>Molecules</i>. 2023;28(13). doi:<a href=\"https://doi.org/10.3390/molecules28135109\">10.3390/molecules28135109</a>","ieee":"B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, and G. Grundmeier, “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy,” <i>Molecules</i>, vol. 28, no. 13, Art. no. 5109, 2023, doi: <a href=\"https://doi.org/10.3390/molecules28135109\">10.3390/molecules28135109</a>.","chicago":"Duderija, Belma, Alejandro González-Orive, Christoph Ebbert, Vanessa Neßlinger, Adrian Keller, and Guido Grundmeier. “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.” <i>Molecules</i> 28, no. 13 (2023). <a href=\"https://doi.org/10.3390/molecules28135109\">https://doi.org/10.3390/molecules28135109</a>."},"intvolume":"        28","year":"2023","user_id":"54863","department":[{"_id":"321"},{"_id":"302"}],"_id":"46023","language":[{"iso":"eng"}],"article_number":"5109","keyword":["Chemistry (miscellaneous)","Analytical Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Molecular Medicine","Drug Discovery","Pharmaceutical Science"],"type":"journal_article","publication":"Molecules","status":"public","abstract":[{"text":"<jats:p>This article presents the potential-dependent adsorption of two proteins, bovine serum albumin (BSA) and lysozyme (LYZ), on Ti6Al4V alloy at pH 7.4 and 37 °C. The adsorption process was studied on an electropolished alloy under cathodic and anodic overpotentials, compared to the open circuit potential (OCP). To analyze the adsorption process, various complementary interface analytical techniques were employed, including PM-IRRAS (polarization-modulation infrared reflection-absorption spectroscopy), AFM (atomic force microscopy), XPS (X-ray photoelectron spectroscopy), and E-QCM (electrochemical quartz crystal microbalance) measurements. The polarization experiments were conducted within a potential range where charging of the electric double layer dominates, and Faradaic currents can be disregarded. The findings highlight the significant influence of the interfacial charge distribution on the adsorption of BSA and LYZ onto the alloy surface. Furthermore, electrochemical analysis of the protein layers formed under applied overpotentials demonstrated improved corrosion protection properties. These studies provide valuable insights into protein adsorption on titanium alloys under physiological conditions, characterized by varying potentials of the passive alloy.</jats:p>","lang":"eng"}]},{"article_type":"original","_id":"52345","user_id":"48467","department":[{"_id":"306"}],"status":"public","type":"journal_article","doi":"10.1021/acs.inorgchem.3c02186","date_updated":"2024-03-07T10:02:58Z","author":[{"first_name":"Winald R.","last_name":"Kitzmann","full_name":"Kitzmann, Winald R."},{"first_name":"David","last_name":"Hunger","full_name":"Hunger, David"},{"last_name":"Reponen","full_name":"Reponen, Antti-Pekka M.","first_name":"Antti-Pekka M."},{"first_name":"Christoph","last_name":"Förster","full_name":"Förster, Christoph"},{"first_name":"Roland","full_name":"Schoch, Roland","id":"48467","last_name":"Schoch","orcid":"0000-0003-2061-7289"},{"orcid":"0000-0002-9294-6076","last_name":"Bauer","full_name":"Bauer, Matthias","id":"47241","first_name":"Matthias"},{"first_name":"Sascha","last_name":"Feldmann","full_name":"Feldmann, Sascha"},{"full_name":"van Slageren, Joris","last_name":"van Slageren","first_name":"Joris"},{"first_name":"Katja","last_name":"Heinze","full_name":"Heinze, Katja"}],"volume":62,"citation":{"ama":"Kitzmann WR, Hunger D, Reponen A-PM, et al. Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby. <i>Inorganic Chemistry</i>. 2023;62(39):15797-15808. doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.3c02186\">10.1021/acs.inorgchem.3c02186</a>","chicago":"Kitzmann, Winald R., David Hunger, Antti-Pekka M. Reponen, Christoph Förster, Roland Schoch, Matthias Bauer, Sascha Feldmann, Joris van Slageren, and Katja Heinze. “Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby.” <i>Inorganic Chemistry</i> 62, no. 39 (2023): 15797–808. <a href=\"https://doi.org/10.1021/acs.inorgchem.3c02186\">https://doi.org/10.1021/acs.inorgchem.3c02186</a>.","ieee":"W. R. Kitzmann <i>et al.</i>, “Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby,” <i>Inorganic Chemistry</i>, vol. 62, no. 39, pp. 15797–15808, 2023, doi: <a href=\"https://doi.org/10.1021/acs.inorgchem.3c02186\">10.1021/acs.inorgchem.3c02186</a>.","mla":"Kitzmann, Winald R., et al. “Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby.” <i>Inorganic Chemistry</i>, vol. 62, no. 39, American Chemical Society (ACS), 2023, pp. 15797–808, doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.3c02186\">10.1021/acs.inorgchem.3c02186</a>.","bibtex":"@article{Kitzmann_Hunger_Reponen_Förster_Schoch_Bauer_Feldmann_van Slageren_Heinze_2023, title={Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby}, volume={62}, DOI={<a href=\"https://doi.org/10.1021/acs.inorgchem.3c02186\">10.1021/acs.inorgchem.3c02186</a>}, number={39}, journal={Inorganic Chemistry}, publisher={American Chemical Society (ACS)}, author={Kitzmann, Winald R. and Hunger, David and Reponen, Antti-Pekka M. and Förster, Christoph and Schoch, Roland and Bauer, Matthias and Feldmann, Sascha and van Slageren, Joris and Heinze, Katja}, year={2023}, pages={15797–15808} }","short":"W.R. Kitzmann, D. Hunger, A.-P.M. Reponen, C. Förster, R. Schoch, M. Bauer, S. Feldmann, J. van Slageren, K. Heinze, Inorganic Chemistry 62 (2023) 15797–15808.","apa":"Kitzmann, W. R., Hunger, D., Reponen, A.-P. M., Förster, C., Schoch, R., Bauer, M., Feldmann, S., van Slageren, J., &#38; Heinze, K. (2023). Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby. <i>Inorganic Chemistry</i>, <i>62</i>(39), 15797–15808. <a href=\"https://doi.org/10.1021/acs.inorgchem.3c02186\">https://doi.org/10.1021/acs.inorgchem.3c02186</a>"},"intvolume":"        62","page":"15797-15808","publication_status":"published","publication_identifier":{"issn":["0020-1669","1520-510X"]},"keyword":["Inorganic Chemistry","Physical and Theoretical Chemistry"],"language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"Photoactive chromium(III) complexes saw a conceptual breakthrough with the discovery of the prototypical molecular ruby mer-[Cr(ddpd)2]3+ (ddpd = N,N′-dimethyl-N,N′-dipyridin-2-ylpyridine-2,6-diamine), which shows intense long-lived near-infrared (NIR) phosphorescence from metal-centered spin-flip states. In contrast to the numerous studies on chromium(III) photophysics, only 10 luminescent molybdenum(III) complexes have been reported so far. Here, we present the synthesis and characterization of mer-MoX3(ddpd) (1, X = Cl; 2, X = Br) and cisfac-[Mo(ddpd)2]3+ (cisfac-[3]3+), an isomeric heavy homologue of the prototypical molecular ruby. For cisfac-[3]3+, we found strong zero-field splitting using magnetic susceptibility measurements and electron paramagnetic resonance spectroscopy. Electronic spectra covering the spin-forbidden transitions show that the spin-flip states in mer-1, mer-2, and cisfac-[3]3+ are much lower in energy than those in comparable chromium(III) compounds. While all three complexes show weak spin-flip phosphorescence in NIR-II, the emission of cisfac-[3]3+ peaking at 1550 nm is particularly low in energy. Femtosecond transient absorption spectroscopy reveals a short excited-state lifetime of 1.4 ns, 6 orders of magnitude shorter than that of mer-[Cr(ddpd)2]3+. Using density functional theory and ab initio multireference calculations, we break down the reasons for this disparity and derive principles for the design of future stable photoactive molybdenum(III) complexes."}],"publication":"Inorganic Chemistry","title":"Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby","publisher":"American Chemical Society (ACS)","date_created":"2024-03-07T09:57:30Z","year":"2023","issue":"39"},{"keyword":["Physical and Theoretical Chemistry","Mechanical Engineering","General Chemical Engineering"],"article_type":"original","language":[{"iso":"eng"}],"_id":"53078","department":[{"_id":"728"}],"user_id":"94562","abstract":[{"lang":"eng","text":"In spray-flame synthesis of nanoparticles, a precise understanding of the reaction processes is necessary to find optimal process parameters for the formation of the desired products. Coupling the chemistries of flame, solvent, and gas-phase species initially formed from the particle precursor in combination with the complex flow geometry of the spray flame means a special challenge for the modeling of the reaction processes. A new burner has been developed that is capable to observe the reaction of precursor solutions frequently used in spray-flame synthesis. The burner provides an almost flat, laminar, and steady flame with homogeneous addition of a fine aerosol and thus enables detailed investigation and modeling of the coupled reactions inde-pendent of spray formation and turbulent mixing. With its two separate supply channel matrices, the burner also enables the use of reactants that would otherwise react with each other already before reaching the flame. These features enable the investigation of a wide range of flame-based synthesis methods for nanoparticles and, due to the flat-flame geometry, kinetics models for these processes can be developed and validated. This work describes the matrix burner development and its gas flow optimization by simulation. Droplet-size dis-tributions generated by ultrasonic nebulization and their interaction with the burner structure are investigated by phase-Doppler anemometry. As an example for nanoparticle-for ming flames from solutions, iron-oxide nanoparticle-generating flames using iron(III) nitrate nonahydrate dissolved in 1-butanol were investigated. This effort includes measurements of two-dimensional maps of the flame temperature by a thermocouple and height-dependent concentration profiles of the main species by time-of-flight mass spectrometry. Exper-imental data are compared with 1D simulations using a reduced reaction mechanism. The results show that the new burner is well suited for the development of reaction models for precursors supplied in the liquid phase usually applied in spray-flame synthesis configurations.& COPY; 2022 The Combustion Institute. Published by Elsevier Inc. All rights reserved."}],"status":"public","publication":"Proceedings of the Combustion Institute","type":"journal_article","title":"A new dual matrix burner for one-dimensional investigation of aerosol flames","doi":"10.1016/j.proci.2022.07.166","date_updated":"2024-03-27T16:30:15Z","publisher":"Elsevier BV","volume":39,"date_created":"2024-03-27T16:14:34Z","author":[{"full_name":"Apazeller, Sascha","last_name":"Apazeller","first_name":"Sascha"},{"first_name":"Munko","last_name":"Gonchikzhapov","full_name":"Gonchikzhapov, Munko"},{"last_name":"Nanjaiah","full_name":"Nanjaiah, Monika","first_name":"Monika"},{"first_name":"Tina","last_name":"Kasper","full_name":"Kasper, Tina"},{"full_name":"Wlokas, Irenäus","last_name":"Wlokas","first_name":"Irenäus"},{"last_name":"Wiggers","full_name":"Wiggers, Hartmut","first_name":"Hartmut"},{"last_name":"Schulz","full_name":"Schulz, Christof","first_name":"Christof"}],"year":"2023","intvolume":"        39","page":"909-918","citation":{"ama":"Apazeller S, Gonchikzhapov M, Nanjaiah M, et al. A new dual matrix burner for one-dimensional investigation of aerosol flames. <i>Proceedings of the Combustion Institute</i>. 2023;39(1):909-918. doi:<a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">10.1016/j.proci.2022.07.166</a>","ieee":"S. Apazeller <i>et al.</i>, “A new dual matrix burner for one-dimensional investigation of aerosol flames,” <i>Proceedings of the Combustion Institute</i>, vol. 39, no. 1, pp. 909–918, 2023, doi: <a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">10.1016/j.proci.2022.07.166</a>.","chicago":"Apazeller, Sascha, Munko Gonchikzhapov, Monika Nanjaiah, Tina Kasper, Irenäus Wlokas, Hartmut Wiggers, and Christof Schulz. “A New Dual Matrix Burner for One-Dimensional Investigation of Aerosol Flames.” <i>Proceedings of the Combustion Institute</i> 39, no. 1 (2023): 909–18. <a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">https://doi.org/10.1016/j.proci.2022.07.166</a>.","bibtex":"@article{Apazeller_Gonchikzhapov_Nanjaiah_Kasper_Wlokas_Wiggers_Schulz_2023, title={A new dual matrix burner for one-dimensional investigation of aerosol flames}, volume={39}, DOI={<a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">10.1016/j.proci.2022.07.166</a>}, number={1}, journal={Proceedings of the Combustion Institute}, publisher={Elsevier BV}, author={Apazeller, Sascha and Gonchikzhapov, Munko and Nanjaiah, Monika and Kasper, Tina and Wlokas, Irenäus and Wiggers, Hartmut and Schulz, Christof}, year={2023}, pages={909–918} }","short":"S. Apazeller, M. Gonchikzhapov, M. Nanjaiah, T. Kasper, I. Wlokas, H. Wiggers, C. Schulz, Proceedings of the Combustion Institute 39 (2023) 909–918.","mla":"Apazeller, Sascha, et al. “A New Dual Matrix Burner for One-Dimensional Investigation of Aerosol Flames.” <i>Proceedings of the Combustion Institute</i>, vol. 39, no. 1, Elsevier BV, 2023, pp. 909–18, doi:<a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">10.1016/j.proci.2022.07.166</a>.","apa":"Apazeller, S., Gonchikzhapov, M., Nanjaiah, M., Kasper, T., Wlokas, I., Wiggers, H., &#38; Schulz, C. (2023). A new dual matrix burner for one-dimensional investigation of aerosol flames. <i>Proceedings of the Combustion Institute</i>, <i>39</i>(1), 909–918. <a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">https://doi.org/10.1016/j.proci.2022.07.166</a>"},"publication_identifier":{"issn":["1540-7489"]},"quality_controlled":"1","publication_status":"published","issue":"1"},{"department":[{"_id":"9"},{"_id":"728"}],"user_id":"94562","_id":"36812","language":[{"iso":"eng"}],"keyword":["Physical and Theoretical Chemistry","Mechanical Engineering","General Chemical Engineering"],"publication":"Proceedings of the Combustion Institute","type":"journal_article","status":"public","author":[{"first_name":"Sascha","full_name":"Apazeller, Sascha","last_name":"Apazeller"},{"full_name":"Gonchikzhapov, Munko","id":"94996","orcid":"https://orcid.org/0000-0002-7773-047X","last_name":"Gonchikzhapov","first_name":"Munko"},{"last_name":"Nanjaiah","full_name":"Nanjaiah, Monika","first_name":"Monika"},{"id":"94562","full_name":"Kasper, Tina","orcid":"0000-0003-3993-5316 ","last_name":"Kasper","first_name":"Tina"},{"first_name":"Irenäus","last_name":"Wlokas","full_name":"Wlokas, Irenäus"},{"first_name":"Hartmut","last_name":"Wiggers","full_name":"Wiggers, Hartmut"},{"last_name":"Schulz","full_name":"Schulz, Christof","first_name":"Christof"}],"date_created":"2023-01-13T16:28:59Z","date_updated":"2024-03-27T17:31:06Z","publisher":"Elsevier BV","doi":"10.1016/j.proci.2022.07.166","title":"A new dual matrix burner for one-dimensional investigation of aerosol flames","publication_identifier":{"issn":["1540-7489"]},"publication_status":"published","citation":{"ama":"Apazeller S, Gonchikzhapov M, Nanjaiah M, et al. A new dual matrix burner for one-dimensional investigation of aerosol flames. <i>Proceedings of the Combustion Institute</i>. Published online 2023. doi:<a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">10.1016/j.proci.2022.07.166</a>","ieee":"S. Apazeller <i>et al.</i>, “A new dual matrix burner for one-dimensional investigation of aerosol flames,” <i>Proceedings of the Combustion Institute</i>, 2023, doi: <a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">10.1016/j.proci.2022.07.166</a>.","chicago":"Apazeller, Sascha, Munko Gonchikzhapov, Monika Nanjaiah, Tina Kasper, Irenäus Wlokas, Hartmut Wiggers, and Christof Schulz. “A New Dual Matrix Burner for One-Dimensional Investigation of Aerosol Flames.” <i>Proceedings of the Combustion Institute</i>, 2023. <a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">https://doi.org/10.1016/j.proci.2022.07.166</a>.","apa":"Apazeller, S., Gonchikzhapov, M., Nanjaiah, M., Kasper, T., Wlokas, I., Wiggers, H., &#38; Schulz, C. (2023). A new dual matrix burner for one-dimensional investigation of aerosol flames. <i>Proceedings of the Combustion Institute</i>. <a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">https://doi.org/10.1016/j.proci.2022.07.166</a>","short":"S. Apazeller, M. Gonchikzhapov, M. Nanjaiah, T. Kasper, I. Wlokas, H. Wiggers, C. Schulz, Proceedings of the Combustion Institute (2023).","bibtex":"@article{Apazeller_Gonchikzhapov_Nanjaiah_Kasper_Wlokas_Wiggers_Schulz_2023, title={A new dual matrix burner for one-dimensional investigation of aerosol flames}, DOI={<a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">10.1016/j.proci.2022.07.166</a>}, journal={Proceedings of the Combustion Institute}, publisher={Elsevier BV}, author={Apazeller, Sascha and Gonchikzhapov, Munko and Nanjaiah, Monika and Kasper, Tina and Wlokas, Irenäus and Wiggers, Hartmut and Schulz, Christof}, year={2023} }","mla":"Apazeller, Sascha, et al. “A New Dual Matrix Burner for One-Dimensional Investigation of Aerosol Flames.” <i>Proceedings of the Combustion Institute</i>, Elsevier BV, 2023, doi:<a href=\"https://doi.org/10.1016/j.proci.2022.07.166\">10.1016/j.proci.2022.07.166</a>."},"year":"2023"},{"intvolume":"        15","citation":{"apa":"Ziegler, F., Bruckner, J. R., Nowakowski, M., Bauer, M., Probst, P., Atwi, B., &#38; Buchmeiser, M. R. (2023). Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene <i>N</i>‐Heterocyclic Carbene Complexes. <i>ChemCatChem</i>, <i>15</i>(21). <a href=\"https://doi.org/10.1002/cctc.202300871\">https://doi.org/10.1002/cctc.202300871</a>","bibtex":"@article{Ziegler_Bruckner_Nowakowski_Bauer_Probst_Atwi_Buchmeiser_2023, title={Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene <i>N</i>‐Heterocyclic Carbene Complexes}, volume={15}, DOI={<a href=\"https://doi.org/10.1002/cctc.202300871\">10.1002/cctc.202300871</a>}, number={21}, journal={ChemCatChem}, publisher={Wiley}, author={Ziegler, Felix and Bruckner, Johanna R. and Nowakowski, Michał and Bauer, Matthias and Probst, Patrick and Atwi, Boshra and Buchmeiser, Michael R.}, year={2023} }","short":"F. Ziegler, J.R. Bruckner, M. Nowakowski, M. Bauer, P. Probst, B. Atwi, M.R. Buchmeiser, ChemCatChem 15 (2023).","mla":"Ziegler, Felix, et al. “Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene <i>N</i>‐Heterocyclic Carbene Complexes.” <i>ChemCatChem</i>, vol. 15, no. 21, Wiley, 2023, doi:<a href=\"https://doi.org/10.1002/cctc.202300871\">10.1002/cctc.202300871</a>.","chicago":"Ziegler, Felix, Johanna R. Bruckner, Michał Nowakowski, Matthias Bauer, Patrick Probst, Boshra Atwi, and Michael R. Buchmeiser. “Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene <i>N</i>‐Heterocyclic Carbene Complexes.” <i>ChemCatChem</i> 15, no. 21 (2023). <a href=\"https://doi.org/10.1002/cctc.202300871\">https://doi.org/10.1002/cctc.202300871</a>.","ieee":"F. Ziegler <i>et al.</i>, “Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene <i>N</i>‐Heterocyclic Carbene Complexes,” <i>ChemCatChem</i>, vol. 15, no. 21, 2023, doi: <a href=\"https://doi.org/10.1002/cctc.202300871\">10.1002/cctc.202300871</a>.","ama":"Ziegler F, Bruckner JR, Nowakowski M, et al. Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene <i>N</i>‐Heterocyclic Carbene Complexes. <i>ChemCatChem</i>. 2023;15(21). doi:<a href=\"https://doi.org/10.1002/cctc.202300871\">10.1002/cctc.202300871</a>"},"year":"2023","issue":"21","publication_identifier":{"issn":["1867-3880","1867-3899"]},"publication_status":"published","doi":"10.1002/cctc.202300871","title":"Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene <i>N</i>‐Heterocyclic Carbene Complexes","volume":15,"date_created":"2024-03-07T09:44:33Z","author":[{"last_name":"Ziegler","full_name":"Ziegler, Felix","first_name":"Felix"},{"last_name":"Bruckner","full_name":"Bruckner, Johanna R.","first_name":"Johanna R."},{"orcid":"0000-0002-3734-7011","last_name":"Nowakowski","full_name":"Nowakowski, Michał","id":"78878","first_name":"Michał"},{"full_name":"Bauer, Matthias","id":"47241","orcid":"0000-0002-9294-6076","last_name":"Bauer","first_name":"Matthias"},{"first_name":"Patrick","last_name":"Probst","full_name":"Probst, Patrick"},{"first_name":"Boshra","last_name":"Atwi","full_name":"Atwi, Boshra"},{"last_name":"Buchmeiser","full_name":"Buchmeiser, Michael R.","first_name":"Michael R."}],"publisher":"Wiley","date_updated":"2024-05-07T11:41:51Z","status":"public","abstract":[{"lang":"eng","text":"Macrocyclization reactions are still challenging due to competing oligomerization, which requires the use of small substrate concentrations. Here, the cationic tungsten imido and tungsten oxo alkylidene N-heterocyclic carbene complexes [[W(N-2,6-Cl2-C6H3)(CHCMe2Ph(OC6F5)(pivalonitrile)(IMes)+ B(ArF)4−] (W1) and [W(O)(CHCMe2Ph(OCMe(CF3)2)(IMes)(CH3CN)+ B(ArF)4−] (W2) (IMes=1,3-dimesitylimidazol-2-ylidene; B(ArF)4−=tetrakis(3,5-bis(trifluoromethyl)phenyl borate) have been immobilized inside the pores of ordered mesoporous silica (OMS) with pore diameters of 3.3 and 6.8 nm, respectively, using a pore-selective immobilization protocol. X-ray absorption spectroscopy of W1@OMS showed that even though the catalyst structure is contracted due to confinement by the mesopores, both the oxidation state and structure of the catalyst stayed intact upon immobilization. Catalytic testing with four differently sized α,ω-dienes revealed a dramatically increased macrocyclization (MC) and Z-selectivity of the supported catalysts compared to the homogenous progenitors, allowing high substrate concentrations of 25 mM. With the supported complexes, a maximum increase in MC-selectivity from 27 to 81 % and in Z-selectivity from 17 to 34 % was achieved. In general, smaller mesopores exhibited a stronger confinement effect. A comparison of the two supported tungsten-based catalysts showed that W1@OMS possesses a higher MC-selectivity, while W2@OMS exhibits a higher Z-selectivity which can be rationalized by the structures of the catalysts."}],"publication":"ChemCatChem","type":"journal_article","language":[{"iso":"eng"}],"keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Catalysis"],"article_type":"original","department":[{"_id":"306"}],"user_id":"48467","_id":"52344"},{"quality_controlled":"1","publication_identifier":{"issn":["1388-6150","1588-2926"]},"publication_status":"published","year":"2023","citation":{"ama":"Paul A, Baumhögger E, Dewerth M-O, Hami Dindar I, Sonnenrein G, Vrabec J. Thermal conductivity of solid paraffins and several n-docosane compounds with graphite. <i>Journal of Thermal Analysis and Calorimetry</i>. Published online 2023. doi:<a href=\"https://doi.org/10.1007/s10973-023-12107-2\">10.1007/s10973-023-12107-2</a>","ieee":"A. Paul, E. Baumhögger, M.-O. Dewerth, I. Hami Dindar, G. Sonnenrein, and J. Vrabec, “Thermal conductivity of solid paraffins and several n-docosane compounds with graphite,” <i>Journal of Thermal Analysis and Calorimetry</i>, 2023, doi: <a href=\"https://doi.org/10.1007/s10973-023-12107-2\">10.1007/s10973-023-12107-2</a>.","chicago":"Paul, Andreas, Elmar Baumhögger, Mats-Ole Dewerth, Iman Hami Dindar, Gerrit Sonnenrein, and Jadran Vrabec. “Thermal Conductivity of Solid Paraffins and Several N-Docosane Compounds with Graphite.” <i>Journal of Thermal Analysis and Calorimetry</i>, 2023. <a href=\"https://doi.org/10.1007/s10973-023-12107-2\">https://doi.org/10.1007/s10973-023-12107-2</a>.","apa":"Paul, A., Baumhögger, E., Dewerth, M.-O., Hami Dindar, I., Sonnenrein, G., &#38; Vrabec, J. (2023). Thermal conductivity of solid paraffins and several n-docosane compounds with graphite. <i>Journal of Thermal Analysis and Calorimetry</i>. <a href=\"https://doi.org/10.1007/s10973-023-12107-2\">https://doi.org/10.1007/s10973-023-12107-2</a>","mla":"Paul, Andreas, et al. “Thermal Conductivity of Solid Paraffins and Several N-Docosane Compounds with Graphite.” <i>Journal of Thermal Analysis and Calorimetry</i>, Springer Science and Business Media LLC, 2023, doi:<a href=\"https://doi.org/10.1007/s10973-023-12107-2\">10.1007/s10973-023-12107-2</a>.","short":"A. Paul, E. Baumhögger, M.-O. Dewerth, I. Hami Dindar, G. Sonnenrein, J. Vrabec, Journal of Thermal Analysis and Calorimetry (2023).","bibtex":"@article{Paul_Baumhögger_Dewerth_Hami Dindar_Sonnenrein_Vrabec_2023, title={Thermal conductivity of solid paraffins and several n-docosane compounds with graphite}, DOI={<a href=\"https://doi.org/10.1007/s10973-023-12107-2\">10.1007/s10973-023-12107-2</a>}, journal={Journal of Thermal Analysis and Calorimetry}, publisher={Springer Science and Business Media LLC}, author={Paul, Andreas and Baumhögger, Elmar and Dewerth, Mats-Ole and Hami Dindar, Iman and Sonnenrein, Gerrit and Vrabec, Jadran}, year={2023} }"},"publisher":"Springer Science and Business Media LLC","date_updated":"2023-04-27T11:10:32Z","date_created":"2023-04-04T06:48:57Z","author":[{"first_name":"Andreas","last_name":"Paul","full_name":"Paul, Andreas","id":"7828"},{"last_name":"Baumhögger","full_name":"Baumhögger, Elmar","id":"15164","first_name":"Elmar"},{"last_name":"Dewerth","id":"49826","full_name":"Dewerth, Mats-Ole","first_name":"Mats-Ole"},{"first_name":"Iman","id":"54836","full_name":"Hami Dindar, Iman","last_name":"Hami Dindar"},{"first_name":"Gerrit","full_name":"Sonnenrein, Gerrit","last_name":"Sonnenrein"},{"last_name":"Vrabec","full_name":"Vrabec, Jadran","first_name":"Jadran"}],"title":"Thermal conductivity of solid paraffins and several n-docosane compounds with graphite","doi":"10.1007/s10973-023-12107-2","publication":"Journal of Thermal Analysis and Calorimetry","type":"journal_article","abstract":[{"lang":"eng","text":"The technical importance of paraffins as phase change materials (PCM) in heat storage systems increases. Knowledge on the thermal conductivity of paraffins is necessary for the design and optimization of heat storage systems. However, for most paraffins solely the thermal conductivity of the liquid state has been sufficiently investigated. For the solid state, precise thermal conductivity data are only known for a few paraffins, while only generalized values are available for the remainder, some of which contradict each other. In this study, a measurement setup based on the modified guarded hot plate method is developed. It is used to investigate the thermal conductivity of several paraffines in the solid state, including pure n-docosane and its compounds with different types and concentrations of graphite. For n-docosane in the solid state, the thermal conductivity is determined to be 0.49 W/(m K). A particle size of 200 μm with a spherical shape turns out to be optimal to increase the thermal conductivity. This allows the thermal conductivity of a compound with 10% graphite to increase by a factor of three compared to the pure paraffin. Furthermore, significant differences to thermal conductivity data from the literature are found."}],"status":"public","_id":"43391","department":[{"_id":"728"},{"_id":"145"},{"_id":"393"},{"_id":"9"}],"user_id":"7828","keyword":["Physical and Theoretical Chemistry","Condensed Matter Physics"],"language":[{"iso":"eng"}]},{"type":"journal_article","status":"public","_id":"45828","department":[{"_id":"302"}],"user_id":"48864","publication_identifier":{"issn":["1420-3049"]},"publication_status":"published","intvolume":"        28","page":"5109","citation":{"ama":"Duderija B, González-Orive A, Ebbert C, Neßlinger V, Keller A, Grundmeier G. Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy. <i>Molecules</i>. 2023;28(13):5109. doi:<a href=\"https://doi.org/10.3390/molecules28135109\">10.3390/molecules28135109</a>","chicago":"Duderija, Belma, Alejandro González-Orive, Christoph Ebbert, Vanessa Neßlinger, Adrian Keller, and Guido Grundmeier. “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.” <i>Molecules</i> 28, no. 13 (2023): 5109. <a href=\"https://doi.org/10.3390/molecules28135109\">https://doi.org/10.3390/molecules28135109</a>.","ieee":"B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, and G. Grundmeier, “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy,” <i>Molecules</i>, vol. 28, no. 13, p. 5109, 2023, doi: <a href=\"https://doi.org/10.3390/molecules28135109\">10.3390/molecules28135109</a>.","apa":"Duderija, B., González-Orive, A., Ebbert, C., Neßlinger, V., Keller, A., &#38; Grundmeier, G. (2023). Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy. <i>Molecules</i>, <i>28</i>(13), 5109. <a href=\"https://doi.org/10.3390/molecules28135109\">https://doi.org/10.3390/molecules28135109</a>","short":"B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, G. Grundmeier, Molecules 28 (2023) 5109.","bibtex":"@article{Duderija_González-Orive_Ebbert_Neßlinger_Keller_Grundmeier_2023, title={Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy}, volume={28}, DOI={<a href=\"https://doi.org/10.3390/molecules28135109\">10.3390/molecules28135109</a>}, number={13}, journal={Molecules}, publisher={MDPI AG}, author={Duderija, Belma and González-Orive, Alejandro and Ebbert, Christoph and Neßlinger, Vanessa and Keller, Adrian and Grundmeier, Guido}, year={2023}, pages={5109} }","mla":"Duderija, Belma, et al. “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.” <i>Molecules</i>, vol. 28, no. 13, MDPI AG, 2023, p. 5109, doi:<a href=\"https://doi.org/10.3390/molecules28135109\">10.3390/molecules28135109</a>."},"date_updated":"2023-07-03T08:07:55Z","volume":28,"author":[{"full_name":"Duderija, Belma","id":"54863","last_name":"Duderija","first_name":"Belma"},{"last_name":"González-Orive","full_name":"González-Orive, Alejandro","first_name":"Alejandro"},{"first_name":"Christoph","last_name":"Ebbert","id":"7266","full_name":"Ebbert, Christoph"},{"full_name":"Neßlinger, Vanessa","last_name":"Neßlinger","first_name":"Vanessa"},{"first_name":"Adrian","orcid":"0000-0001-7139-3110","last_name":"Keller","full_name":"Keller, Adrian","id":"48864"},{"id":"194","full_name":"Grundmeier, Guido","last_name":"Grundmeier","first_name":"Guido"}],"doi":"10.3390/molecules28135109","publication":"Molecules","abstract":[{"lang":"eng","text":"<jats:p>This article presents the potential-dependent adsorption of two proteins, bovine serum albumin (BSA) and lysozyme (LYZ), on Ti6Al4V alloy at pH 7.4 and 37 °C. The adsorption process was studied on an electropolished alloy under cathodic and anodic overpotentials, compared to the open circuit potential (OCP). To analyze the adsorption process, various complementary interface analytical techniques were employed, including PM-IRRAS (polarization-modulation infrared reflection-absorption spectroscopy), AFM (atomic force microscopy), XPS (X-ray photoelectron spectroscopy), and E-QCM (electrochemical quartz crystal microbalance) measurements. The polarization experiments were conducted within a potential range where charging of the electric double layer dominates, and Faradaic currents can be disregarded. The findings highlight the significant influence of the interfacial charge distribution on the adsorption of BSA and LYZ onto the alloy surface. Furthermore, electrochemical analysis of the protein layers formed under applied overpotentials demonstrated improved corrosion protection properties. These studies provide valuable insights into protein adsorption on titanium alloys under physiological conditions, characterized by varying potentials of the passive alloy.</jats:p>"}],"keyword":["Chemistry (miscellaneous)","Analytical Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Molecular Medicine","Drug Discovery","Pharmaceutical Science"],"language":[{"iso":"eng"}],"issue":"13","year":"2023","publisher":"MDPI AG","date_created":"2023-07-03T08:06:28Z","title":"Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy"},{"language":[{"iso":"eng"}],"article_number":"147317","keyword":["Physical and Theoretical Chemistry","Spectroscopy","Condensed Matter Physics","Atomic and Molecular Physics","and Optics","Radiation","Electronic","Optical and Magnetic Materials"],"user_id":"54556","department":[{"_id":"302"}],"_id":"46480","status":"public","type":"journal_article","publication":"Journal of Electron Spectroscopy and Related Phenomena","doi":"10.1016/j.elspec.2023.147317","title":"UV-enhanced environmental charge compensation in near ambient pressure XPS","author":[{"first_name":"Hendrik","last_name":"Müller","full_name":"Müller, Hendrik"},{"full_name":"Weinberger, Christian","id":"11848","last_name":"Weinberger","first_name":"Christian"},{"id":"194","full_name":"Grundmeier, Guido","last_name":"Grundmeier","first_name":"Guido"},{"full_name":"de los Arcos de Pedro, Maria Teresa","id":"54556","last_name":"de los Arcos de Pedro","first_name":"Maria Teresa"}],"date_created":"2023-08-11T14:11:57Z","volume":264,"date_updated":"2023-08-11T14:13:19Z","publisher":"Elsevier BV","citation":{"mla":"Müller, Hendrik, et al. “UV-Enhanced Environmental Charge Compensation in near Ambient Pressure XPS.” <i>Journal of Electron Spectroscopy and Related Phenomena</i>, vol. 264, 147317, Elsevier BV, 2023, doi:<a href=\"https://doi.org/10.1016/j.elspec.2023.147317\">10.1016/j.elspec.2023.147317</a>.","bibtex":"@article{Müller_Weinberger_Grundmeier_de los Arcos de Pedro_2023, title={UV-enhanced environmental charge compensation in near ambient pressure XPS}, volume={264}, DOI={<a href=\"https://doi.org/10.1016/j.elspec.2023.147317\">10.1016/j.elspec.2023.147317</a>}, number={147317}, journal={Journal of Electron Spectroscopy and Related Phenomena}, publisher={Elsevier BV}, author={Müller, Hendrik and Weinberger, Christian and Grundmeier, Guido and de los Arcos de Pedro, Maria Teresa}, year={2023} }","short":"H. Müller, C. Weinberger, G. Grundmeier, M.T. de los Arcos de Pedro, Journal of Electron Spectroscopy and Related Phenomena 264 (2023).","apa":"Müller, H., Weinberger, C., Grundmeier, G., &#38; de los Arcos de Pedro, M. T. (2023). UV-enhanced environmental charge compensation in near ambient pressure XPS. <i>Journal of Electron Spectroscopy and Related Phenomena</i>, <i>264</i>, Article 147317. <a href=\"https://doi.org/10.1016/j.elspec.2023.147317\">https://doi.org/10.1016/j.elspec.2023.147317</a>","ama":"Müller H, Weinberger C, Grundmeier G, de los Arcos de Pedro MT. UV-enhanced environmental charge compensation in near ambient pressure XPS. <i>Journal of Electron Spectroscopy and Related Phenomena</i>. 2023;264. doi:<a href=\"https://doi.org/10.1016/j.elspec.2023.147317\">10.1016/j.elspec.2023.147317</a>","chicago":"Müller, Hendrik, Christian Weinberger, Guido Grundmeier, and Maria Teresa de los Arcos de Pedro. “UV-Enhanced Environmental Charge Compensation in near Ambient Pressure XPS.” <i>Journal of Electron Spectroscopy and Related Phenomena</i> 264 (2023). <a href=\"https://doi.org/10.1016/j.elspec.2023.147317\">https://doi.org/10.1016/j.elspec.2023.147317</a>.","ieee":"H. Müller, C. Weinberger, G. Grundmeier, and M. T. de los Arcos de Pedro, “UV-enhanced environmental charge compensation in near ambient pressure XPS,” <i>Journal of Electron Spectroscopy and Related Phenomena</i>, vol. 264, Art. no. 147317, 2023, doi: <a href=\"https://doi.org/10.1016/j.elspec.2023.147317\">10.1016/j.elspec.2023.147317</a>."},"intvolume":"       264","year":"2023","publication_status":"published","publication_identifier":{"issn":["0368-2048"]}},{"publication":"Molecules","abstract":[{"text":"<jats:p>Multiprotein adsorption from complex body fluids represents a highly important and complicated phenomenon in medicine. In this work, multiprotein adsorption from diluted human serum at gold and oxidized iron surfaces is investigated at different serum concentrations and pH values. Adsorption-induced changes in surface topography and the total amount of adsorbed proteins are quantified by atomic force microscopy (AFM) and polarization-modulation infrared reflection absorption spectroscopy (PM-IRRAS), respectively. For both surfaces, stronger protein adsorption is observed at pH 6 compared to pH 7 and pH 8. PM-IRRAS furthermore provides some qualitative insights into the pH-dependent alterations in the composition of the adsorbed multiprotein films. Changes in the amide II/amide I band area ratio and in particular side-chain IR absorption suggest that the increased adsorption at pH 6 is accompanied by a change in protein film composition. Presumably, this is mostly driven by the adsorption of human serum albumin, which at pH 6 adsorbs more readily and thereby replaces other proteins with lower surface affinities in the resulting multiprotein film.</jats:p>","lang":"eng"}],"keyword":["Chemistry (miscellaneous)","Analytical Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Molecular Medicine","Drug Discovery","Pharmaceutical Science"],"language":[{"iso":"eng"}],"issue":"16","year":"2023","publisher":"MDPI AG","date_created":"2023-08-16T10:51:48Z","title":"Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy","type":"journal_article","status":"public","_id":"46542","department":[{"_id":"302"}],"user_id":"48864","article_number":"6060","publication_identifier":{"issn":["1420-3049"]},"publication_status":"published","intvolume":"        28","citation":{"apa":"Huang, J., Qiu, Y., Lücke, F., Su, J., Grundmeier, G., &#38; Keller, A. (2023). Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy. <i>Molecules</i>, <i>28</i>(16), Article 6060. <a href=\"https://doi.org/10.3390/molecules28166060\">https://doi.org/10.3390/molecules28166060</a>","mla":"Huang, Jingyuan, et al. “Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy.” <i>Molecules</i>, vol. 28, no. 16, 6060, MDPI AG, 2023, doi:<a href=\"https://doi.org/10.3390/molecules28166060\">10.3390/molecules28166060</a>.","short":"J. Huang, Y. Qiu, F. Lücke, J. Su, G. Grundmeier, A. Keller, Molecules 28 (2023).","bibtex":"@article{Huang_Qiu_Lücke_Su_Grundmeier_Keller_2023, title={Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy}, volume={28}, DOI={<a href=\"https://doi.org/10.3390/molecules28166060\">10.3390/molecules28166060</a>}, number={166060}, journal={Molecules}, publisher={MDPI AG}, author={Huang, Jingyuan and Qiu, Yunshu and Lücke, Felix and Su, Jiangling and Grundmeier, Guido and Keller, Adrian}, year={2023} }","ama":"Huang J, Qiu Y, Lücke F, Su J, Grundmeier G, Keller A. Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy. <i>Molecules</i>. 2023;28(16). doi:<a href=\"https://doi.org/10.3390/molecules28166060\">10.3390/molecules28166060</a>","ieee":"J. Huang, Y. Qiu, F. Lücke, J. Su, G. Grundmeier, and A. Keller, “Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy,” <i>Molecules</i>, vol. 28, no. 16, Art. no. 6060, 2023, doi: <a href=\"https://doi.org/10.3390/molecules28166060\">10.3390/molecules28166060</a>.","chicago":"Huang, Jingyuan, Yunshu Qiu, Felix Lücke, Jiangling Su, Guido Grundmeier, and Adrian Keller. “Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy.” <i>Molecules</i> 28, no. 16 (2023). <a href=\"https://doi.org/10.3390/molecules28166060\">https://doi.org/10.3390/molecules28166060</a>."},"date_updated":"2023-08-16T10:53:08Z","volume":28,"author":[{"full_name":"Huang, Jingyuan","last_name":"Huang","first_name":"Jingyuan"},{"first_name":"Yunshu","full_name":"Qiu, Yunshu","last_name":"Qiu"},{"first_name":"Felix","full_name":"Lücke, Felix","last_name":"Lücke"},{"first_name":"Jiangling","full_name":"Su, Jiangling","last_name":"Su"},{"first_name":"Guido","full_name":"Grundmeier, Guido","id":"194","last_name":"Grundmeier"},{"first_name":"Adrian","id":"48864","full_name":"Keller, Adrian","last_name":"Keller","orcid":"0000-0001-7139-3110"}],"doi":"10.3390/molecules28166060"},{"issue":"16","publication_status":"published","publication_identifier":{"issn":["1422-0067"]},"citation":{"chicago":"Pothineni, Bhanu K., Sabrina Kollmann, Xinyang Li, Guido Grundmeier, Denise J. Erb, and Adrian Keller. “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces.” <i>International Journal of Molecular Sciences</i> 24, no. 16 (2023). <a href=\"https://doi.org/10.3390/ijms241612808\">https://doi.org/10.3390/ijms241612808</a>.","ieee":"B. K. Pothineni, S. Kollmann, X. Li, G. Grundmeier, D. J. Erb, and A. Keller, “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces,” <i>International Journal of Molecular Sciences</i>, vol. 24, no. 16, Art. no. 12808, 2023, doi: <a href=\"https://doi.org/10.3390/ijms241612808\">10.3390/ijms241612808</a>.","ama":"Pothineni BK, Kollmann S, Li X, Grundmeier G, Erb DJ, Keller A. Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces. <i>International Journal of Molecular Sciences</i>. 2023;24(16). doi:<a href=\"https://doi.org/10.3390/ijms241612808\">10.3390/ijms241612808</a>","apa":"Pothineni, B. K., Kollmann, S., Li, X., Grundmeier, G., Erb, D. J., &#38; Keller, A. (2023). Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces. <i>International Journal of Molecular Sciences</i>, <i>24</i>(16), Article 12808. <a href=\"https://doi.org/10.3390/ijms241612808\">https://doi.org/10.3390/ijms241612808</a>","bibtex":"@article{Pothineni_Kollmann_Li_Grundmeier_Erb_Keller_2023, title={Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces}, volume={24}, DOI={<a href=\"https://doi.org/10.3390/ijms241612808\">10.3390/ijms241612808</a>}, number={1612808}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Pothineni, Bhanu K. and Kollmann, Sabrina and Li, Xinyang and Grundmeier, Guido and Erb, Denise J. and Keller, Adrian}, year={2023} }","short":"B.K. Pothineni, S. Kollmann, X. Li, G. Grundmeier, D.J. Erb, A. Keller, International Journal of Molecular Sciences 24 (2023).","mla":"Pothineni, Bhanu K., et al. “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces.” <i>International Journal of Molecular Sciences</i>, vol. 24, no. 16, 12808, MDPI AG, 2023, doi:<a href=\"https://doi.org/10.3390/ijms241612808\">10.3390/ijms241612808</a>."},"intvolume":"        24","year":"2023","date_created":"2023-08-16T10:52:25Z","author":[{"first_name":"Bhanu K.","last_name":"Pothineni","full_name":"Pothineni, Bhanu K."},{"first_name":"Sabrina","full_name":"Kollmann, Sabrina","last_name":"Kollmann"},{"first_name":"Xinyang","last_name":"Li","full_name":"Li, Xinyang"},{"first_name":"Guido","last_name":"Grundmeier","full_name":"Grundmeier, Guido","id":"194"},{"first_name":"Denise J.","last_name":"Erb","full_name":"Erb, Denise J."},{"orcid":"0000-0001-7139-3110","last_name":"Keller","id":"48864","full_name":"Keller, Adrian","first_name":"Adrian"}],"volume":24,"publisher":"MDPI AG","date_updated":"2023-08-16T10:53:00Z","doi":"10.3390/ijms241612808","title":"Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces","type":"journal_article","publication":"International Journal of Molecular Sciences","status":"public","abstract":[{"lang":"eng","text":"<jats:p>The influence of nanoscale surface topography on protein adsorption is highly important for numerous applications in medicine and technology. Herein, ferritin adsorption at flat and nanofaceted, single-crystalline Al2O3 surfaces is investigated using atomic force microscopy and X-ray photoelectron spectroscopy. The nanofaceted surfaces are generated by the thermal annealing of Al2O3 wafers at temperatures above 1000 °C, which leads to the formation of faceted saw-tooth-like surface topographies with periodicities of about 160 nm and amplitudes of about 15 nm. Ferritin adsorption at these nanofaceted surfaces is notably suppressed compared to the flat surface at a concentration of 10 mg/mL, which is attributed to lower adsorption affinities of the newly formed facets. Consequently, adsorption is restricted mostly to the pattern grooves, where the proteins can maximize their contact area with the surface. However, this effect depends on the protein concentration, with an inverse trend being observed at 30 mg/mL. Furthermore, different ferritin adsorption behavior is observed at topographically similar nanofacet patterns fabricated at different annealing temperatures and attributed to different step and kink densities. These results demonstrate that while protein adsorption at solid surfaces can be notably affected by nanofacet patterns, fine-tuning protein adsorption in this way requires the precise control of facet properties.</jats:p>"}],"user_id":"48864","department":[{"_id":"302"}],"_id":"46543","language":[{"iso":"eng"}],"article_number":"12808","keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Computer Science Applications","Spectroscopy","Molecular Biology","General Medicine","Catalysis"]},{"type":"journal_article","status":"public","user_id":"94562","department":[{"_id":"728"}],"_id":"53079","article_type":"original","publication_status":"published","publication_identifier":{"issn":["1540-7489"]},"citation":{"ama":"Bierkandt T, Hemberger P, Oßwald P, et al. A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame. <i>Proceedings of the Combustion Institute</i>. 2023;39(2):1699-1708. doi:<a href=\"https://doi.org/10.1016/j.proci.2022.07.205\">10.1016/j.proci.2022.07.205</a>","chicago":"Bierkandt, Thomas, Patrick Hemberger, Patrick Oßwald, Nina Gaiser, Martin Hoener, Dominik Krüger, Tina Kasper, and Markus Köhler. “A Combustion Chemistry Study of Tetramethylethylene in a Laminar Premixed Low-Pressure Hydrogen Flame.” <i>Proceedings of the Combustion Institute</i> 39, no. 2 (2023): 1699–1708. <a href=\"https://doi.org/10.1016/j.proci.2022.07.205\">https://doi.org/10.1016/j.proci.2022.07.205</a>.","ieee":"T. Bierkandt <i>et al.</i>, “A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame,” <i>Proceedings of the Combustion Institute</i>, vol. 39, no. 2, pp. 1699–1708, 2023, doi: <a href=\"https://doi.org/10.1016/j.proci.2022.07.205\">10.1016/j.proci.2022.07.205</a>.","short":"T. Bierkandt, P. Hemberger, P. Oßwald, N. Gaiser, M. Hoener, D. Krüger, T. Kasper, M. Köhler, Proceedings of the Combustion Institute 39 (2023) 1699–1708.","bibtex":"@article{Bierkandt_Hemberger_Oßwald_Gaiser_Hoener_Krüger_Kasper_Köhler_2023, title={A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame}, volume={39}, DOI={<a href=\"https://doi.org/10.1016/j.proci.2022.07.205\">10.1016/j.proci.2022.07.205</a>}, number={2}, journal={Proceedings of the Combustion Institute}, publisher={Elsevier BV}, author={Bierkandt, Thomas and Hemberger, Patrick and Oßwald, Patrick and Gaiser, Nina and Hoener, Martin and Krüger, Dominik and Kasper, Tina and Köhler, Markus}, year={2023}, pages={1699–1708} }","mla":"Bierkandt, Thomas, et al. “A Combustion Chemistry Study of Tetramethylethylene in a Laminar Premixed Low-Pressure Hydrogen Flame.” <i>Proceedings of the Combustion Institute</i>, vol. 39, no. 2, Elsevier BV, 2023, pp. 1699–708, doi:<a href=\"https://doi.org/10.1016/j.proci.2022.07.205\">10.1016/j.proci.2022.07.205</a>.","apa":"Bierkandt, T., Hemberger, P., Oßwald, P., Gaiser, N., Hoener, M., Krüger, D., Kasper, T., &#38; Köhler, M. (2023). A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame. <i>Proceedings of the Combustion Institute</i>, <i>39</i>(2), 1699–1708. <a href=\"https://doi.org/10.1016/j.proci.2022.07.205\">https://doi.org/10.1016/j.proci.2022.07.205</a>"},"intvolume":"        39","page":"1699-1708","author":[{"full_name":"Bierkandt, Thomas","last_name":"Bierkandt","first_name":"Thomas"},{"first_name":"Patrick","last_name":"Hemberger","full_name":"Hemberger, Patrick"},{"last_name":"Oßwald","full_name":"Oßwald, Patrick","first_name":"Patrick"},{"first_name":"Nina","last_name":"Gaiser","full_name":"Gaiser, Nina"},{"last_name":"Hoener","full_name":"Hoener, Martin","first_name":"Martin"},{"full_name":"Krüger, Dominik","last_name":"Krüger","first_name":"Dominik"},{"orcid":"0000-0003-3993-5316 ","last_name":"Kasper","full_name":"Kasper, Tina","id":"94562","first_name":"Tina"},{"full_name":"Köhler, Markus","last_name":"Köhler","first_name":"Markus"}],"volume":39,"date_updated":"2025-07-08T10:35:30Z","doi":"10.1016/j.proci.2022.07.205","publication":"Proceedings of the Combustion Institute","language":[{"iso":"eng"}],"keyword":["Physical and Theoretical Chemistry","Mechanical Engineering","General Chemical Engineering"],"issue":"2","quality_controlled":"1","year":"2023","date_created":"2024-03-27T16:16:17Z","publisher":"Elsevier BV","title":"A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame"},{"type":"journal_article","status":"public","_id":"30209","user_id":"48864","department":[{"_id":"302"}],"publication_status":"published","publication_identifier":{"issn":["1422-0067"]},"citation":{"apa":"Hanke, M., Hansen, N., Chen, R., Grundmeier, G., Fahmy, K., &#38; Keller, A. (2022). Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate. <i>International Journal of Molecular Sciences</i>, <i>23</i>(5), 2817. <a href=\"https://doi.org/10.3390/ijms23052817\">https://doi.org/10.3390/ijms23052817</a>","bibtex":"@article{Hanke_Hansen_Chen_Grundmeier_Fahmy_Keller_2022, title={Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate}, volume={23}, DOI={<a href=\"https://doi.org/10.3390/ijms23052817\">10.3390/ijms23052817</a>}, number={5}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Hanke, Marcel and Hansen, Niklas and Chen, Ruiping and Grundmeier, Guido and Fahmy, Karim and Keller, Adrian}, year={2022}, pages={2817} }","short":"M. Hanke, N. Hansen, R. Chen, G. Grundmeier, K. Fahmy, A. Keller, International Journal of Molecular Sciences 23 (2022) 2817.","mla":"Hanke, Marcel, et al. “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate.” <i>International Journal of Molecular Sciences</i>, vol. 23, no. 5, MDPI AG, 2022, p. 2817, doi:<a href=\"https://doi.org/10.3390/ijms23052817\">10.3390/ijms23052817</a>.","ama":"Hanke M, Hansen N, Chen R, Grundmeier G, Fahmy K, Keller A. Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate. <i>International Journal of Molecular Sciences</i>. 2022;23(5):2817. doi:<a href=\"https://doi.org/10.3390/ijms23052817\">10.3390/ijms23052817</a>","chicago":"Hanke, Marcel, Niklas Hansen, Ruiping Chen, Guido Grundmeier, Karim Fahmy, and Adrian Keller. “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate.” <i>International Journal of Molecular Sciences</i> 23, no. 5 (2022): 2817. <a href=\"https://doi.org/10.3390/ijms23052817\">https://doi.org/10.3390/ijms23052817</a>.","ieee":"M. Hanke, N. Hansen, R. Chen, G. Grundmeier, K. Fahmy, and A. Keller, “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate,” <i>International Journal of Molecular Sciences</i>, vol. 23, no. 5, p. 2817, 2022, doi: <a href=\"https://doi.org/10.3390/ijms23052817\">10.3390/ijms23052817</a>."},"page":"2817","intvolume":"        23","date_updated":"2022-03-07T07:29:27Z","author":[{"first_name":"Marcel","last_name":"Hanke","full_name":"Hanke, Marcel"},{"first_name":"Niklas","full_name":"Hansen, Niklas","last_name":"Hansen"},{"first_name":"Ruiping","full_name":"Chen, Ruiping","last_name":"Chen"},{"last_name":"Grundmeier","full_name":"Grundmeier, Guido","first_name":"Guido"},{"full_name":"Fahmy, Karim","last_name":"Fahmy","first_name":"Karim"},{"full_name":"Keller, Adrian","last_name":"Keller","first_name":"Adrian"}],"volume":23,"doi":"10.3390/ijms23052817","publication":"International Journal of Molecular Sciences","abstract":[{"lang":"eng","text":"<jats:p>DNA origami technology enables the folding of DNA strands into complex nanoscale shapes whose properties and interactions with molecular species often deviate significantly from that of genomic DNA. Here, we investigate the salting-out of different DNA origami shapes by the kosmotropic salt ammonium sulfate that is routinely employed in protein precipitation. We find that centrifugation in the presence of 3 M ammonium sulfate results in notable precipitation of DNA origami nanostructures but not of double-stranded genomic DNA. The precipitated DNA origami nanostructures can be resuspended in ammonium sulfate-free buffer without apparent formation of aggregates or loss of structural integrity. Even though quasi-1D six-helix bundle DNA origami are slightly less susceptible toward salting-out than more compact DNA origami triangles and 24-helix bundles, precipitation and recovery yields appear to be mostly independent of DNA origami shape and superstructure. Exploiting the specificity of ammonium sulfate salting-out for DNA origami nanostructures, we further apply this method to separate DNA origami triangles from genomic DNA fragments in a complex mixture. Our results thus demonstrate the possibility of concentrating and purifying DNA origami nanostructures by ammonium sulfate-induced salting-out.</jats:p>"}],"keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Computer Science Applications","Spectroscopy","Molecular Biology","General Medicine","Catalysis"],"language":[{"iso":"eng"}],"issue":"5","year":"2022","publisher":"MDPI AG","date_created":"2022-03-07T07:28:02Z","title":"Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate"},{"abstract":[{"lang":"eng","text":"<jats:p>Guanidinium (Gdm) undergoes interactions with both hydrophilic and hydrophobic groups and, thus, is a highly potent denaturant of biomolecular structure. However, our molecular understanding of the interaction of Gdm with proteins and DNA is still rather limited. Here, we investigated the denaturation of DNA origami nanostructures by three Gdm salts, i.e., guanidinium chloride (GdmCl), guanidinium sulfate (Gdm2SO4), and guanidinium thiocyanate (GdmSCN), at different temperatures and in dependence of incubation time. Using DNA origami nanostructures as sensors that translate small molecular transitions into nanostructural changes, the denaturing effects of the Gdm salts were directly visualized by atomic force microscopy. GdmSCN was the most potent DNA denaturant, which caused complete DNA origami denaturation at 50 °C already at a concentration of 2 M. Under such harsh conditions, denaturation occurred within the first 15 min of Gdm exposure, whereas much slower kinetics were observed for the more weakly denaturing salt Gdm2SO4 at 25 °C. Lastly, we observed a novel non-monotonous temperature dependence of DNA origami denaturation in Gdm2SO4 with the fraction of intact nanostructures having an intermediate minimum at about 40 °C. Our results, thus, provide further insights into the highly complex Gdm–DNA interaction and underscore the importance of the counteranion species.</jats:p>"}],"status":"public","type":"journal_article","publication":"International Journal of Molecular Sciences","keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Computer Science Applications","Spectroscopy","Molecular Biology","General Medicine","Catalysis"],"language":[{"iso":"eng"}],"_id":"32589","user_id":"48864","department":[{"_id":"302"}],"year":"2022","citation":{"ama":"Hanke M, Hansen N, Tomm E, Grundmeier G, Keller A. Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate. <i>International Journal of Molecular Sciences</i>. 2022;23(15):8547. doi:<a href=\"https://doi.org/10.3390/ijms23158547\">10.3390/ijms23158547</a>","chicago":"Hanke, Marcel, Niklas Hansen, Emilia Tomm, Guido Grundmeier, and Adrian Keller. “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate.” <i>International Journal of Molecular Sciences</i> 23, no. 15 (2022): 8547. <a href=\"https://doi.org/10.3390/ijms23158547\">https://doi.org/10.3390/ijms23158547</a>.","ieee":"M. Hanke, N. Hansen, E. Tomm, G. Grundmeier, and A. Keller, “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate,” <i>International Journal of Molecular Sciences</i>, vol. 23, no. 15, p. 8547, 2022, doi: <a href=\"https://doi.org/10.3390/ijms23158547\">10.3390/ijms23158547</a>.","short":"M. Hanke, N. Hansen, E. Tomm, G. Grundmeier, A. Keller, International Journal of Molecular Sciences 23 (2022) 8547.","bibtex":"@article{Hanke_Hansen_Tomm_Grundmeier_Keller_2022, title={Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate}, volume={23}, DOI={<a href=\"https://doi.org/10.3390/ijms23158547\">10.3390/ijms23158547</a>}, number={15}, journal={International Journal of Molecular Sciences}, publisher={MDPI AG}, author={Hanke, Marcel and Hansen, Niklas and Tomm, Emilia and Grundmeier, Guido and Keller, Adrian}, year={2022}, pages={8547} }","mla":"Hanke, Marcel, et al. “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate.” <i>International Journal of Molecular Sciences</i>, vol. 23, no. 15, MDPI AG, 2022, p. 8547, doi:<a href=\"https://doi.org/10.3390/ijms23158547\">10.3390/ijms23158547</a>.","apa":"Hanke, M., Hansen, N., Tomm, E., Grundmeier, G., &#38; Keller, A. (2022). Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate. <i>International Journal of Molecular Sciences</i>, <i>23</i>(15), 8547. <a href=\"https://doi.org/10.3390/ijms23158547\">https://doi.org/10.3390/ijms23158547</a>"},"intvolume":"        23","page":"8547","publication_status":"published","publication_identifier":{"issn":["1422-0067"]},"issue":"15","title":"Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate","doi":"10.3390/ijms23158547","publisher":"MDPI AG","date_updated":"2022-08-08T06:40:14Z","author":[{"last_name":"Hanke","full_name":"Hanke, Marcel","first_name":"Marcel"},{"last_name":"Hansen","full_name":"Hansen, Niklas","first_name":"Niklas"},{"full_name":"Tomm, Emilia","last_name":"Tomm","first_name":"Emilia"},{"first_name":"Guido","last_name":"Grundmeier","id":"194","full_name":"Grundmeier, Guido"},{"full_name":"Keller, Adrian","id":"48864","orcid":"0000-0001-7139-3110","last_name":"Keller","first_name":"Adrian"}],"date_created":"2022-08-08T06:39:20Z","volume":23}]