@article{EbelBald2022,
  author    = {Ebel, Kenny and Bald, Ilko},
  title     = {Low-energy (5-20 eV) electron-induced single and double strand breaks in well-defined DNA sequences},
  series = {Journal of physical chemistry letters},
  volume    = {13},
  journal   = {Journal of physical chemistry letters},
  number    = {22},
  publisher = {American Chemical Society},
  address   = {Washington, DC},
  issn      = {1948-7185},
  doi       = {10.1021/acs.jpclett.2c00684},
  pages     = {4871 -- 4876},
  year      = {2022},
  abstract  = {Ionizing radiation is used in cancer radiation therapy to effectively damage the DNA of tumors. The main damage is due to generation of highly reactive secondary species such as low-energy electrons (LEEs). The accurate quantification of DNA radiation damage of well-defined DNA target sequences in terms of absolute cross sections for LEE-induced DNA strand breaks is possible by the DNA origami technique; however, to date, it is possible only for DNA single strands. In the present work DNA double strand breaks in the DNA sequence 5 '-d(CAC)4/5 ' d(GTG)4 are compared with DNA single strand breaks in the oligonucleotides 5 '-d(CAC)4 and 5 '-d(GTG)4 upon irradiation with LEEs in the energy range from 5 to 20 eV. A maximum of strand break cross section was found around 7 and 10 eV independent of the DNA sequence, indicating that dissociative electron attachment is the underlying mechanism of strand breakage and confirming previous studies using plasmid DNA.},
  language  = {en}
}
@phdthesis{Martin2024,
  author    = {Martin, Johannes},
  title     = {Synthesis of protein-polymer conjugates and block copolymers via sortase-mediated ligation},
  doi       = {10.25932/publishup-64566},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-645669},
  school      = {Universit{\"a}t Potsdam},
  pages     = {XVII, 150},
  year      = {2024},
  abstract  = {In den vergangenen Jahrzehnten haben therapeutische Proteine in der pharmazeutischen Industrie mehr und mehr an Bedeutung gewonnen. Werden Proteine nichtmenschlichen Ursprungs verwendet, kann es jedoch zu einer Immunreaktion kommen, sodass das Protein sehr schnell aus dem K{\"o}rper ausgeschieden oder abgebaut wird. Um die Zirkulationszeit im Blut signifikant zu verl{\"a}ngern, werden die Proteine mit synthetischen Polymeren modifiziert (Protein-Polymer-Konjugate). Die Proteine aller heute auf dem Markt erh{\"a}ltlichen Medikamente dieser Art tragen eine oder mehrere Polymerketten aus Poly(ethylenglycol) (PEG). Ein Nachteil der PEGylierung ist, dass viele Patienten bei regelm{\"a}ßiger Einnahme dieser Medikamente Antik{\"o}rper gegen PEG entwickeln, die den effizienzsteigernden Effekt der PEGylierung wieder aufheben. Ein weiterer Nachteil der PEGylierung ist die oftmals deutlich verringerte Aktivit{\"a}t der Konjugate im Vergleich zum nativen Protein. Der Grund daf{\"u}r ist die Herstellungsmethode der Konjugate, bei der meist die prim{\"a}ren Amine der Lysin-Seitenketten und der N-Terminus des Proteins genutzt werden. Da die meisten Proteine mehrere gut zug{\"a}ngliche Lysine aufweisen, werden oft unterschiedliche und teilweise mehrere Lysine mit PEG funktionalisiert, was zu einer Mischung an Regioisomeren f{\"u}hrt. Je nach Position der PEG-Kette kann das aktive Zentrum abgeschirmt oder die 3D-Struktur des Proteins ver{\"a}ndert werden, was zu einem teilweise drastischen Aktivit{\"a}tsabfall f{\"u}hrt. In dieser Arbeit wurde eine neuartige Methode zur Ligation von Makromolek{\"u}len untersucht. Die Verwendung eines Enzyms als Katalysator zur Verbindung zweier Makromolek{\"u}le ist bisher wenig untersucht und ineffizient. Als Enzym wurde Sortase A ausgew{\"a}hlt, eine gut untersuchte Ligase aus der Familie der Transpeptidasen, welche die Ligation zweier Peptide katalysieren kann. Ein Nachteil dieser Sortase-vermittelten Ligation ist, dass es sich um eine Gleichgewichtsreaktion handelt, wodurch hohe Ausbeuten schwierig zu erreichen sind. Im Rahmen dieser Dissertation wurden zwei zuvor entwickelte Methoden zur Verschiebung des Gleichgewichts ohne Einsatz eines großen {\"U}berschusses von einem Edukt f{\"u}r Makromolek{\"u}le {\"u}berpr{\"u}ft. Zur Durchf{\"u}hrung der Sortase-vermittelten Ligation werden zwei komplement{\"a}re Peptidsequenzen verwendet, die Erkennungssequenz und das Nukleophil. Um eine systematische Untersuchung durchf{\"u}hren zu k{\"o}nnen, wurden alle n{\"o}tigen Bausteine (Protein-Erkennungssequenz zur Reaktion mit Nukleophil-Polymer und Polymer-Erkennungssequenz mit Nukleophil-Protein) hergestellt. Als Polymerisationstechnik wurde die radikalische Polymerisation mit reversibler Deaktivierung (im Detail, Atom Transfer Radical Polymerization, ATRP und Reversible Addition-Fragmentation Chain Transfer, RAFT polymerization) gew{\"a}hlt, um eine enge Molmassenverteilung zu erreichen. Die Herstellung der Bausteine begann mit der Synthese der Peptide via automatisierter Festphasen-Peptidsynthese, um eine einfache {\"A}nderung der Peptidsequenz zu gew{\"a}hrleisten und um eine Modifizierung der Polymerkette nach der Polymerisation zu umgehen. Um die ben{\"o}tigte unterschiedliche Funktionalit{\"a}t der zwei Peptidsequenzen (freier C-Terminus bei der Erkennungssequenz bzw. freier N-Terminus bei dem Nukleophil) zu erreichen, wurden verschiedene Linker zwischen Harz und Peptid verwendet. Danach wurde der Ketten{\"u}bertr{\"a}ger (chain transfer agent, CTA) zur Kontrolle der Polymerisation mit dem auf dem Harz befindlichen Peptid gekoppelt. Die f{\"u}r die anschließende Polymerisation verwendeten Monomere basierten auf Acrylamiden und Acrylaten und wurden anhand ihrer Eignung als Alternativen zu PEG ausgew{\"a}hlt. Es wurde eine k{\"u}rzlich entwickelte Technik basierend auf der RAFT-Polymerisation (xanthate-supported photo-iniferter RAFT, XPI-RAFT) verwendet um eine Reihe an Peptid-Polymeren mit unterschiedlichen Molekulargewichten und engen Molekulargewichtsverteilungen herzustellen. Nach Entfernung der Schutzgruppen der Peptid-Seitenketten wurden die Peptid-Polymere zun{\"a}chst genutzt, um mittels Sortase-vermittelter Ligation zwei Polymerketten zu einem Blockcopolymer zu verbinden. Unter Verwendung von Ni2+-Ionen in Kombination mit einer Verl{\"a}ngerung der Erkennungssequenz um ein Histidin zur Unterdr{\"u}ckung der R{\"u}ckreaktion konnte ein maximaler Umsatz von 70 \% erreicht werden. Dabei zeigte sich ein oberes Limit von durchschnittlich 100 Wiederholungseinheiten; die Ligation von l{\"a}ngeren Polymeren war nicht erfolgreich. Danach wurden ein Modellprotein und ein Nanobody mit vielversprechenden medizinischen Eigenschaften mit den f{\"u}r die enzymkatalysierte Ligation ben{\"o}tigten Peptidsequenzen f{\"u}r die Kopplung mit den zuvor hergestellten Peptid-Polymeren verwendet. Dabei konnte bei Verwendung des Modellproteins keine Bildung von Protein-Polymer-Konjugaten beobachtet werden. Der Nanobody konnte dagegen C-terminal mit einem Polymer funktionalisiert werden. Dabei wurde eine {\"a}hnliche Limitierung in der Polymer-Kettenl{\"a}nge beobachtet wie zuvor. Die auf Ni-Ionen basierte Strategie zur Gleichgewichtsverschiebung hatte hier keinen ausschlaggebenden Effekt, w{\"a}hrend die Verwendung von einem {\"U}berschuss an Polymer zur vollst{\"a}ndigen Umsetzung des Edukt-Nanobody f{\"u}hrte. Die erhaltenen Daten aus diesem Projekt bilden eine gute Basis f{\"u}r weitere Forschung in dem vielversprechenden Feld der enzymkatalysierten Herstellung von Protein-Polymer-Konjugaten und Blockcopolymeren. Langfristig k{\"o}nnte diese Herangehensweise eine vielseitig einsetzbare Herstellungsmethode von ortsspezifischen therapeutischen Protein-Polymer Konjugaten darstellen, welche sowohl eine hohe Aktivit{\"a}t als auch eine lange Zirkulationszeit im Blut aufweisen.},
  language  = {en}
}
@inproceedings{WangBreternitzSchorr2021,
  author    = {Wang, Zhenyu and Breternitz, Joachim and Schorr, Susan},
  title     = {Cation disorder in zinc-group IV- nitride and oxide nitride semiconductor materials revealed through neutron diffraction},
  series = {Acta crystallographica / International Union of Crystallography. Section A, Foundations and advances},
  volume    = {77},
  booktitle = {Acta crystallographica / International Union of Crystallography. Section A, Foundations and advances},
  number    = {Suppl.},
  publisher = {Blackwell},
  address   = {Oxford [u.a.]},
  issn      = {2053-2733},
  doi       = {10.1107/S0108767321086256},
  pages     = {C1077 -- C1077},
  year      = {2021},
  language  = {en}
}
@article{ErlerRiebeBeitzetal.2023,
  author    = {Erler, Alexander and Riebe, Daniel and Beitz, Toralf and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Leenen, Mathias and P{\"a}tzold, Stefan and Ostermann, Markus and W{\´o}jcik, Michał},
  title     = {Mobile laser-induced breakdown spectroscopy for future application in precision agriculture},
  series = {Sensors},
  volume    = {23},
  journal   = {Sensors},
  number    = {16},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {1424-8220},
  doi       = {10.3390/s23167178},
  pages     = {17},
  year      = {2023},
  abstract  = {In precision agriculture, the estimation of soil parameters via sensors and the creation of nutrient maps are a prerequisite for farmers to take targeted measures such as spatially resolved fertilization. In this work, 68 soil samples uniformly distributed over a field near Bonn are investigated using laser-induced breakdown spectroscopy (LIBS). These investigations include the determination of the total contents of macro- and micronutrients as well as further soil parameters such as soil pH, soil organic matter (SOM) content, and soil texture. The applied LIBS instruments are a handheld and a platform spectrometer, which potentially allows for the single-point measurement and scanning of whole fields, respectively. Their results are compared with a high-resolution lab spectrometer. The prediction of soil parameters was based on multivariate methods. Different feature selection methods and regression methods like PLS, PCR, SVM, Lasso, and Gaussian processes were tested and compared. While good predictions were obtained for Ca, Mg, P, Mn, Cu, and silt content, excellent predictions were obtained for K, Fe, and clay content. The comparison of the three different spectrometers showed that although the lab spectrometer gives the best results, measurements with both field spectrometers also yield good results. This allows for a method transfer to the in-field measurements.},
  language  = {en}
}
@article{AdesinaBlockGuenteretal.2023,
  author    = {Adesina, Morenike O. and Block, Inga and G{\"u}nter, Christina and Unuabonah, Emmanuel Iyayi and Taubert, Andreas},
  title     = {Efficient Removal of Tetracycline and Bisphenol A from Water with a New Hybrid Clay/TiO2 Composite},
  series = {ACS Omega},
  volume    = {8},
  journal   = {ACS Omega},
  number    = {24},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {2470-1343},
  doi       = {10.1021/acsomega.3c00184},
  pages     = {21594 -- 21604},
  year      = {2023},
  abstract  = {New TiO2 hybrid composites were prepared fromkaolinclay, predried and carbonized biomass, and titanium tetraisopropoxideand explored for tetracycline (TET) and bisphenol A (BPA) removalfrom water. Overall, the removal rate is 84\% for TET and 51\% for BPA.The maximum adsorption capacities (q (m))are 30 and 23 mg/g for TET and BPA, respectively. These capacitiesare far greater than those obtained for unmodified TiO2. Increasing the ionic strength of the solution does not change theadsorption capacity of the adsorbent. pH changes only slightly changeBPA adsorption, while a pH > 7 significantly reduces the adsorptionof TET on the material. The Brouers-Sotolongo fractal modelbest describes the kinetic data for both TET and BPA adsorption, predictingthat the adsorption process occurs via a complex mechanism involvingvarious forces of attraction. Temkin and Freundlich isotherms, whichbest fit the equilibrium adsorption data for TET and BPA, respectively,suggest that adsorption sites are heterogeneous in nature. Overall,the composite materials are much more effective for TET removal fromaqueous solution than for BPA. This phenomenon is assigned to a differencein the TET/adsorbent interactions vs the BPA/adsorbent interactions:the decisive factor appears to be favorable electrostatic interactionsfor TET yielding a more effective TET removal.},
  language  = {en}
}
@article{MazareiPenschkeSaalfrank2023,
  author    = {Mazarei, Elham and Penschke, Christopher and Saalfrank, Peter},
  title     = {Band gap engineering in two-dimensional materials by functionalization},
  series = {ACS Omega},
  volume    = {8},
  journal   = {ACS Omega},
  number    = {24},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {2470-1343},
  doi       = {10.1021/acsomega.3c02068},
  pages     = {22026 -- 22041},
  year      = {2023},
  abstract  = {Graphene is well-knownfor its unique combination of electricaland mechanical properties. However, its vanishing band gap limitsthe use of graphene in microelectronics. Covalent functionalizationof graphene has been a common approach to address this critical issueand introduce a band gap. In this Article, we systematically analyzethe functionalization of single-layer graphene (SLG) and bilayer graphene(BLG) with methyl (CH3) using periodic density functionaltheory (DFT) at the PBE+D3 level of theory. We also include a comparisonof methylated single-layer and bilayer graphene, as well as a discussionof different methylation options (radicalic, cationic, and anionic).For SLG, methyl coverages ranging from 1/8 to 1/1, (i.e.,the fully methylated analogue of graphane) are considered. We findthat up to a coverage theta of 1/2, graphene readily accepts CH3, with neighbor CH3 groups preferring trans positions. Above theta = 1/2, the tendency to accept further CH3 weakens and the lattice constant increases. The band gapbehaves less regularly, but overall it increases with increasing methylcoverage. Thus, methylated graphene shows potential for developingband gap-tuned microelectronics devices and may offer further functionalizationoptions. To guide in the interpretation of methylation experiments,vibrational signatures of various species are characterized by normal-modeanalysis (NMA), their vibrational density of states (VDOS), and infrared(IR) spectra, the latter two are obtained from ab initio moleculardynamics (AIMD) in combination with a velocity-velocity autocorrelationfunction (VVAF) approach.},
  language  = {en}
}
@article{KleinpeterKoch2023,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {The multiple bond character of the carbon-boron bond in boron trapped N-heterocyclic carbenes (NHCs) and cyclic(alkyl)(amino) carbenes (CAACs) on the magnetic criterion},
  series = {Tetrahedron},
  volume    = {140},
  journal   = {Tetrahedron},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0040-4020},
  doi       = {10.1016/j.tet.2023.133469},
  pages     = {13},
  year      = {2023},
  abstract  = {Geometry, 11B, 13C chemical shifts and the spatial magnetic properties (Through-Space NMR Shieldings -TSNMRS) of both cations and anions of boron-trapped N-heterocyclic carbenes (NHCs) and cyclic (alkyl)(amino)carbenes (CAACs) and of the corresponding diborane/diborene/diboryne dis-carbene adducts have been calculated using the GIAO perturbation method employing the nucleus independent chemical shift (NICS) concept; the TSNMRS results are visualized as iso-chemical-shielding surfaces (ICSS) of various size and direction. The ICSS of the TSNMRS (actually the anisotropy effects measurable in 1H NMR spectroscopy) are employed to qualify and quantify the present multiple bond character of the Carbene-Boron bond in the trapped NHCs and CAACs. Results are confirmed by bond length and 11B/13C chemical shift variations. Thus the partial multiple bond character of the Carbene-Boron bond cannot be expressed by the arrow of weak, much longer dative bonds and should be omitted as in other covalent lone pair-it or triel bonds. \& COPY; 2023 Elsevier Ltd. All rights reserved.},
  language  = {en}
}
@article{SchlappaBresselReichetal.2023,
  author    = {Schlappa, Stephanie and Bressel, Lena and Reich, Oliver and M{\"u}nzberg, Marvin},
  title     = {Advanced particle size analysis in high-solid-content polymer dispersions using photon density wave spectroscopy},
  series = {Polymers},
  volume    = {15},
  journal   = {Polymers},
  number    = {15},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {2073-4360},
  doi       = {10.3390/polym15153181},
  pages     = {17},
  year      = {2023},
  abstract  = {High-solid-content polystyrene and polyvinyl acetate dispersions of polymer particles with a 50 nm to 500 nm mean particle diameter and 12-55\% (w/w) solid content have been produced via emulsion polymerization and characterized regarding their optical and physical properties. Both systems have been analyzed with common particle-size-measuring techniques like dynamic light scattering (DLS) and static light scattering (SLS) and compared to inline particle size distribution (PSD) measurements via photon density wave (PDW) spectroscopy in undiluted samples. It is shown that particle size measurements of undiluted polystyrene dispersions are in good agreement between analysis methods. However, for polyvinyl acetate particles, size determination is challenging due to bound water in the produced polymer. For the first time, water-swelling factors were determined via an iterative approach of PDW spectroscopy error (X-2) minimization. It is shown that water-swollen particles can be analyzed in high-solid-content solutions and their physical properties can be assumed to determine the refractive index, density, and volume fraction in dispersion. It was found that assumed water swelling improved the reduced scattering coefficient fit by PDW spectroscopy by up to ten times and particle size determination was refined and enabled. Particle size analysis of the water-swollen particles agreed well with offline-based state-of-the-art techniques.},
  language  = {en}
}
@article{XuDongJieetal.2022,
  author    = {Xu, Yaolin and Dong, Kang and Jie, Yulin and Adelhelm, Philipp and Chen, Yawei and Xu, Liang and Yu, Peiping and Kim, Junghwa and Kochovski, Zdravko and Yu, Zhilong and Li, Wanxia and LeBeau, James and Shao-Horn, Yang and Cao, Ruiguo and Jiao, Shuhong and Cheng, Tao and Manke, Ingo and Lu, Yan},
  title     = {Promoting mechanistic understanding of lithium deposition and solid-electrolyte interphase (SEI) formation using advanced characterization and simulation methods: recent progress, limitations, and future perspectives},
  series = {Avanced energy materials},
  volume    = {12},
  journal   = {Avanced energy materials},
  number    = {19},
  publisher = {Wiley},
  address   = {Weinheim},
  issn      = {1614-6832},
  doi       = {10.1002/aenm.202200398},
  pages     = {22},
  year      = {2022},
  abstract  = {In recent years, due to its great promise in boosting the energy density of lithium batteries for future energy storage, research on the Li metal anode, as an alternative to the graphite anode in Li-ion batteries, has gained significant momentum. However, the practical use of Li metal anodes has been plagued by unstable Li (re)deposition and poor cyclability. Although tremendous efforts have been devoted to the stabilization of Li metal anodes, the mechanisms of electrochemical (re-)deposition/dissolution of Li and solid-electrolyte-interphase (SEI) formation remain elusive. This article highlights the recent mechanistic understandings and observations of Li deposition/dissolution and SEI formation achieved from advanced characterization techniques and simulation methods, and discusses major limitations and open questions in these processes. In particular, the authors provide their perspectives on advanced and emerging/potential methods for obtaining new insights into these questions. In addition, they give an outlook into cutting-edge interdisciplinary research topics for Li metal anodes. It pushes beyond the current knowledge and is expected to accelerate development toward a more in-depth and comprehensive understanding, in order to guide future research on Li metal anodes toward practical application.},
  language  = {en}
}
@phdthesis{Heinz2024,
  author    = {Heinz, Markus},
  title     = {Synthese von Monomeren auf der Basis nachwachsender Rohstoffe und ihre Polymerisation},
  doi       = {10.25932/publishup-63794},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-637943},
  school      = {Universit{\"a}t Potsdam},
  pages     = {XVII, 267},
  year      = {2024},
  abstract  = {Die vorliegende Arbeit thematisiert die Synthese und die Polymerisation von Monomeren auf der Basis nachwachsender Rohstoffe wie zum Beispiel in Gew{\"u}rzen und ätherischen Ölen enthaltenen kommerziell verf{\"u}gbaren Phenylpropanoiden (Eugenol, Isoeugenol, Zimtalkohol, Anethol und Estragol) und des Terpenoids Myrtenol sowie ausgehend von der Rinde einer Birke (Betula pendula) und der Korkeiche (Quercus suber). Ausgew{\"a}hlte Phenylpropanoide (Eugenol, Isoeugenol und Zimtalkohol) und das Terpenoid Myrtenol wurden zun{\"a}chst in den jeweiligen Laurylester {\"u}berf{\"u}hrt und anschließend das olefinische Strukturelement epoxidiert, wobei 4 neue (2-Methoxy-4-(oxiran-2-ylmethyl)phenyldodecanoat, 2-Methoxy-4-(3-methyl-oxiran-2-yl)phenyldodecanoat, (3-Phenyloxiran-2-yl)methyldodecanoat, (7,7-Dimethyl-3-oxatricyclo[4.1.1.02,4]octan-2-yl)methyldodecanoat) und 2 bereits bekannte monofunktionelle Epoxide (2-(4-Methoxybenzyl)oxiran und 2-(4-Methoxyphenyl)-3-methyloxiran) erhalten wurden, die mittels 1H-NMR-, 13C-NMR- und FT-IR-Spektroskopie sowie mit DSC untersucht wurden. Die Photo-DSC Untersuchung der Epoxidmonomere in einer kationischen Photopolymerisation bei 40 °C ergab die maximale Polymerisationsgeschwindigkeit (Rpmax: 0,005 s-1 bis 0,038 s-1) sowie die Zeit (tmax: 13 s bis 26 s) bis zum Erreichen des Rpmax-Wertes und f{\"u}hrte zu fl{\"u}ssigen Oligomeren, deren zahlenmittlerer Polymerisationsgrad mit 3 bis 6 mittels GPC bestimmt wurde. Die Umsetzung von 2-Methoxy-4-(oxiran-2-ylmethyl)phenyldodecanoat mit Methacrylsäure ergab ein Isomerengemisch (2-Methoxy-4-(2-hydroxy-3-(methacryloyloxy)propyl)phenyldodecanoat und 2-Methoxy-4-(2-(methacryl-oyloxy)-3-hydroxypropyl)phenyldodecanoat), das mittels Photo-DSC in einer freien radikalischen Photopolymerisation untersucht wurde (Rpmax: 0,105 s-1 und tmax: 5 s), die zu festen in Chloroform unlöslichen Polymeren f{\"u}hrte. Aus Korkpulver und gemahlener Birkenrinde wurden selektiv 2 kristalline ω-Hydroxyfettsäuren (9,10-Epoxy-18-hydroxyoctadecansäure und 22-Hydroxydocosansäure) isoliert. Die kationische Photopolymerisation der 9,10-Epoxy-18-hydroxyoctadecansäure ergab einen nahezu farblosen transparenten und bei Raumtemperatur elastischen Film, welcher ein Anwendungspotential f{\"u}r Oberflächenbeschichtungen hat. Aus der Reaktion von 9,10-Epoxy-18-hydroxyoctadecansäure mit Methacrylsäure wurde ein bei Raumtemperatur fl{\"u}ssiges Gemisch aus zwei Konstitutionsisomeren (9,18-Dihydroxy-10-(methacryloyloxy)octadecansäure und 9-(Methacryloyloxy)-10,18-dihydroxyoctadecansäure) erhalten (Tg: -60 °C). Die radikalische Photopolymerisation dieser Konstitutionsisomere wurde ebenfalls mittels Photo-DSC untersucht (Rpmax: 0,098 s-1 und tmax: 3,8 s). Die Reaktion von 22-Hydroxydocosansäure mit Methacryloylchlorid ergab die kristalline 22-(Methacryloyloxy)docosansäure, welche ebenfalls in einer radikalischen Photopolymerisation mittels Photo-DSC untersucht wurde (Rpmax: 0,023 s-1 und tmax: 9,6 s). Die mittels AIBN in Dimethylsulfoxid initiierte Homopolymerisation der 22-(Methacryloyloxy)docosansäure und der Isomerengemische bestehend aus 2-Methoxy-4-(2-hydroxy-3-(methacryloyloxy)propyl)phenyldodecanoat und 2-Methoxy-4-(2-(methacryl-oyloxy)-3-hydroxypropyl)phenyldodecanoat sowie aus 9,18-Dihydroxy-10-(methacryloy-loxy)octadecansäure und 9-(Methacryloyloxy)-10,18-dihydroxyoctadecansäure ergab feste lösliche Polymere, die mittels 1H-NMR- und FT-IR-Spektroskopie, GPC (Poly(2-methoxy-4-(2-hydroxy-3-(methacryloyloxy)propyl)phenyldodecanoat / 2-methoxy-4-(2-(methacryloyloxy)-3-hydroxypropyl)phenyldodecanoat): Pn = 94) und DSC (Poly(2-methoxy-4-(2-hydroxy-3-(methacryloyloxy)propyl)phenyldodecanoat / 2-methoxy-4-(2-(methacryloyloxy)-3-hydroxypropyl)phenyldodecanoat): Tg: 52 °C; Poly(9,18-dihydroxy-10-(methacryloyloxy)-octadecansäure / 9-(methacryloyloxy)-10,18-dihydroxyoctadecansäure): Tg: 10 °C; Poly(22-(methacryloyloxy)docosansäure): Tm: 74,1 °C, wobei der Schmelzpunkt mit dem des Photopolymers (Tm = 76,8 °C) vergleichbar ist) charakterisiert wurden. Das bereits bekannte Monomer 4-(4-Methacryloyloxyphenyl)butan-2-on wurde ausgehend von 4-(4-Hydroxyphenyl)butan-2-on hergestellt, welches aus Birkenrinde gewonnen werden kann, und unter identischen Bedingungen f{\"u}r einen Vergleich mit den neuen Monomeren polymerisiert. Die freie radikalische Polymerisation f{\"u}hrte zu Poly(4-(4-methacryloyloxyphenyl)butan-2-on) (Pn: 214 und Tg: 83 °C). Neben der Homopolymerisation wurde eine statistische Copolymerisation des Isomerengemisches 2-Methoxy-4-(2-hydroxy-3-(methacryl-oyloxy)propyl)phenyldodecanoat / 2-Methoxy-4-(2-(methacryloyloxy)-3-hydroxypropyl)-phenyldodecanoat mit 4-(4-Methacryloyloxyphenyl)butan-2-on untersucht, wobei ein äquimolarer Einsatz der Ausgangsmonomere zu einem Anstieg der Ausbeute, der Molmassenverteilung und der Dispersität des Copolymers (Tg: 44 °C) f{\"u}hrte. Die unter Verwendung von Diethylcarbonat als „gr{\"u}nes" Lösungsmittel mittels AIBN initiierten freien radikalischen Homopolymerisationen von 4-(4-Methacryloyloxyphenyl)butan-2-on und von Laurylmethacrylat ergaben vergleichbare Polymerisationsgrade der Homopolymere (Pn: 150), welche jedoch aufgrund ihrer Strukturunterschiede deutlich unterschiedliche Glas{\"u}bergangstemperaturen hatten (Poly(4-(4-methacryloyloxyphenyl)butan-2-on): Tg: 70 °C, Poly(laurylmethacrylat) Tg: -49 °C. Eine statistische Copolymerisation äquimolarer Stoffmengen der beiden Monomere in Diethylcarbonat f{\"u}hrte bei einer Polymerisationszeit von 60 Minuten zu einem leicht bevorzugten Einbau des 4-(4-Methacryloyloxyphenyl)butan-2-on in das Copolymer (Tg: 17 °C). Copolymerisationsdiagramme f{\"u}r die freien radikalischen Copolymerisationen von 4-(4-Methacryloyloxyphenyl)butan-2-on mit n-Butylmethacrylat beziehungsweise 2-(Dimethylamino)ethylmethacrylat (t: 20 min bis 60 min; Molenbr{\"u}che (X) f{\"u}r 4-(4-Methacryloyloxyphenyl)butan-2-on: 0,2; 0,4; 0,6 und 0,8) zeigten ein nahezu ideales azeotropes Copolymerisationsverhalten, obwohl ein leicht bevorzugter Einbau von 4-(4-Methacryloyloxyphenyl)butan-2-on in das jeweilige Copolymer beobachtet wurde. Dabei korreliert ein Anstieg der Ausbeute und der Glas{\"u}bergangstemperatur der erhaltenen Copolymere mit einem zunehmenden Gehalt an 4-(4-Methacryloyloxyphenyl)butan-2-on im Reaktionsgemisch. Die unter Einsatz der modifizierten Gibbs-DiMarzio-Gleichung berechneten Glas{\"u}bergangstemperaturen der Copolymere stimmten mit den gemessenen Werten gut {\"u}berein. Das ist eine gute Ausgangsbasis f{\"u}r die Bestimmung der Glas{\"u}bergangstemperatur eines Copolymers mit einer beliebigen Zusammensetzung.},
  language  = {de}
}
@article{RotheZhaoMuelleretal.2021,
  author    = {Rothe, Martin and Zhao, Yuhang and M{\"u}ller, Johannes and Kewes, G{\"u}nter and Koch, Christoph T. and Lu, Yan and Benson, Oliver},
  title     = {Self-assembly of plasmonic nanoantenna-waveguide structures for subdiffractional chiral sensing},
  series = {ACS nano},
  volume    = {15},
  journal   = {ACS nano},
  number    = {1},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1936-0851},
  doi       = {10.1021/acsnano.0c05240},
  pages     = {351 -- 361},
  year      = {2021},
  abstract  = {Spin-momentum locking is a peculiar effect in the near-field of guided optical or plasmonic modes. It can be utilized to map the spinning or handedness of electromagnetic fields onto the propagation direction. This motivates a method to probe the circular dichroism of an illuminated chiral object. In this work, we demonstrate local, subdiffraction limited chiral coupling of light and propagating surface plasmon polaritons in a self-assembled system of a gold nanoantenna and a silver nanowire. A thin silica shell around the nanowire provides precise distance control and also serves as a host for fluorescent molecules, which indicate the direction of plasmon propagation. We characterize our nanoantenna-nanowire systems comprehensively through correlated electron microscopy, energy-dispersive X-ray spectroscopy, dark-field, and fluorescence imaging. Three-dimensional numerical simulations support the experimental findings. Besides our measurement of far-field polarization, we estimate sensing capabilities and derive not only a sensitivity of 1 mdeg for the ellipticity of the light field, but also find 10(3) deg cm(2)/dmol for the circular dichroism of an analyte locally introduced in the hot spot of the antenna-wire system. Thorough modeling of a prototypical design predicts on-chip sensing of chiral analytes. This introduces our system as an ultracompact sensor for chiral response far below the diffraction limit.},
  language  = {en}
}
@article{NingYuMeietal.2022,
  author    = {Ning, Jiaoyi and Yu, Hongtao and Mei, Shilin and Sch{\"u}tze, Yannik and Risse, Sebastian and Kardjilov, Nikolay and Hilger, Andr{\´e} and Manke, Ingo and Bande, Annika and Ruiz, Victor G. and Dzubiella, Joachim and Meng, Hong and Lu, Yan},
  title     = {Constructing binder- and carbon additive-free organosulfur cathodes based on conducting thiol-polymers through electropolymerization for lithium-sulfur batteries},
  series = {ChemSusChem},
  volume    = {15},
  journal   = {ChemSusChem},
  number    = {14},
  publisher = {Wiley},
  address   = {Weinheim},
  issn      = {1864-5631},
  doi       = {10.1002/cssc.202200434},
  pages     = {10},
  year      = {2022},
  abstract  = {Herein, the concept of constructing binder- and carbon additive-free organosulfur cathode was proved based on thiol-containing conducting polymer poly(4-(thiophene-3-yl) benzenethiol) (PTBT). The PTBT featured the polythiophene-structure main chain as a highly conducting framework and the benzenethiol side chain to copolymerize with sulfur and form a crosslinked organosulfur polymer (namely S/PTBT). Meanwhile, it could be in-situ deposited on the current collector by electro-polymerization, making it a binder-free and free-standing cathode for Li-S batteries. The S/PTBT cathode exhibited a reversible capacity of around 870 mAh g(-1) at 0.1 C and improved cycling performance compared to the physically mixed cathode (namely S\&PTBT). This multifunction cathode eliminated the influence of the additives (carbon/binder), making it suitable to be applied as a model electrode for operando analysis. Operando X-ray imaging revealed the remarkable effect in the suppression of polysulfides shuttle via introducing covalent bonds, paving the way for the study of the intrinsic mechanisms in Li-S batteries.},
  language  = {en}
}
@article{LauLiuMaieretal.2021,
  author    = {Lau, Skadi and Liu, Yue and Maier, Anna and Braune, Steffen and Gossen, Manfred and Neffe, Axel T. and Lendlein, Andreas},
  title     = {Establishment of an in vitro thrombogenicity test system with cyclic olefin copolymer substrate for endothelial layer formation},
  series = {MRS communications / a publication of the Materials Research Society},
  volume    = {11},
  journal   = {MRS communications / a publication of the Materials Research Society},
  number    = {5},
  publisher = {Springer},
  address   = {Berlin},
  issn      = {2159-6867},
  doi       = {10.1557/s43579-021-00072-6},
  pages     = {559 -- 567},
  year      = {2021},
  abstract  = {In vitro thrombogenicity test systems require co-cultivation of endothelial cells and platelets under blood flow-like conditions. Here, a commercially available perfusion system is explored using plasma-treated cyclic olefin copolymer (COC) as a substrate for the endothelial cell layer. COC was characterized prior to endothelialization and co-cultivation with platelets under static or flow conditions. COC exhibits a low roughness and a moderate hydrophilicity. Flow promoted endothelial cell growth and prevented platelet adherence. These findings show the suitability of COC as substrate and the importance of blood flow-like conditions for the assessment of the thrombogenic risk of drugs or cardiovascular implant materials.},
  language  = {en}
}
@article{NeusserSunTanetal.2022,
  author    = {Neusser, David and Sun, Bowen and Tan, Wen Liang and Thomsen, Lars and Schultz, Thorsten and Perdigon-Toro, Lorena and Koch, Norbert and Shoaee, Safa and McNeill, Christopher R. and Neher, Dieter and Ludwigs, Sabine},
  title     = {Spectroelectrochemically determined energy levels of PM6:Y6 blends and their relevance to solar cell performance},
  series = {Journal of materials chemistry : C, Materials for optical and electronic devices},
  volume    = {10},
  journal   = {Journal of materials chemistry : C, Materials for optical and electronic devices},
  number    = {32},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {2050-7526},
  doi       = {10.1039/d2tc01918c},
  pages     = {11565 -- 11578},
  year      = {2022},
  abstract  = {Recent advances in organic solar cell performance have been mainly driven forward by combining high-performance p-type donor-acceptor copolymers (e.g.PM6) and non-fullerene small molecule acceptors (e.g.Y6) as bulk-heterojunction layers. A general observation in such devices is that the device performance, e.g., the open-circuit voltage, is strongly dependent on the processing solvent. While the morphology is a typically named key parameter, the energetics of donor-acceptor blends are equally important, but less straightforward to access in the active multicomponent layer. Here, we propose to use spectral onsets during electrochemical cycling in a systematic spectroelectrochemical study of blend films to access the redox behavior and the frontier orbital energy levels of the individual compounds. Our study reveals that the highest occupied molecular orbital offset (Delta E-HOMO) in PM6:Y6 blends is similar to 0.3 eV, which is comparable to the binding energy of Y6 excitons and therefore implies a nearly zero driving force for the dissociation of Y6 excitons. Switching the PM6 orientation in the blend films from face-on to edge-on in bulk has only a minor influence on the positions of the energy levels, but shows significant differences in the open circuit voltage of the device. We explain this phenomenon by the different interfacial molecular orientations, which are known to affect the non-radiative decay rate of the charge-transfer state. We compare our results to ultraviolet photoelectron spectroscopy data, which shows distinct differences in the HOMO offsets in the PM6:Y6 blend compared to neat films. This highlights the necessity to measure the energy levels of the individual compounds in device-relevant blend films.},
  language  = {en}
}
@article{TungSunWangetal.2021,
  author    = {Tung, Wing Tai and Sun, Xianlei and Wang, Weiwei and Xu, Xun and Ma, Nan and Lendlein, Andreas},
  title     = {Structure, mechanical properties and degradation behavior of electrospun PEEU fiber meshes and films},
  series = {MRS advances : a journal of the Materials Research Society (MRS)},
  volume    = {6},
  journal   = {MRS advances : a journal of the Materials Research Society (MRS)},
  number    = {10},
  publisher = {Springer Nature Switzerland AG},
  address   = {Cham},
  issn      = {2059-8521},
  doi       = {10.1557/s43580-020-00001-0},
  pages     = {276 -- 282},
  year      = {2021},
  abstract  = {The capability of a degradable implant to provide mechanical support depends on its degradation behavior. Hydrolytic degradation was studied for a polyesteretherurethane (PEEU70), which consists of poly(p-dioxanone) (PPDO) and poly(epsilon-caprolactone) (PCL) segments with a weight ratio of 70:30 linked by diurethane junction units. PEEU70 samples prepared in the form of meshes with average fiber diameters of 1.5 mu m (mesh1.5) and 1.2 mu m (mesh1.2), and films were sterilized and incubated in PBS at 37 degrees C with 5 vol\% CO2 supply for 1 to 6 weeks. Degradation features, such as cracks or wrinkles, became apparent from week 4 for all samples. Mass loss was found to be 11 wt\%, 6 wt\%, and 4 wt\% for mesh1.2, mesh1.5, and films at week 6. The elongation at break decreased to under 20\% in two weeks for mesh1.2. In case of the other two samples, this level of degradation was achieved after 4 weeks. The weight average molecular weight of both PEEU70 mesh and film samples decreased to below 30 kg/mol when elongation at break dropped below 20\%. The time period of sustained mechanical stability of PEEU70-based meshes depends on the fiber diameter and molecular weight.},
  language  = {en}
}
@article{StefancuNanZhuetal.2022,
  author    = {Stefancu, Andrei and Nan, Lin and Zhu, Li and Chis, Vasile and Bald, Ilko and Liu, Min and Leopold, Nicolae and Maier, Stefan A. and Cortes, Emiliano},
  title     = {Controlling plasmonic chemistry pathways through specific ion effects},
  series = {Advanced optical materials},
  volume    = {10},
  journal   = {Advanced optical materials},
  number    = {14},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {2195-1071},
  doi       = {10.1002/adom.202200397},
  pages     = {10},
  year      = {2022},
  abstract  = {Plasmon-driven dehalogenation of brominated purines has been recently explored as a model system to understand fundamental aspects of plasmon-assisted chemical reactions. Here, it is shown that divalent Ca2+ ions strongly bridge the adsorption of bromoadenine (Br-Ade) to Ag surfaces. Such ion-mediated binding increases the molecule's adsorption energy leading to an overlap of the metal energy states and the molecular states, enabling the chemical interface damping (CID) of the plasmon modes of the Ag nanostructures (i.e., direct electron transfer from the metal to Br-Ade). Consequently, the conversion of Br-Ade to adenine almost doubles following the addition of Ca2+. These experimental results, supported by theoretical calculations of the local density of states of the Ag/Br-Ade complex, indicate a change of the charge transfer pathway driving the dehalogenation reaction, from Landau damping (in the lack of Ca2+ ions) to CID (after the addition of Ca2+). The results show that the surface dynamics of chemical species (including water molecules) play an essential role in charge transfer at plasmonic interfaces and cannot be ignored. It is envisioned that these results will help in designing more efficient nanoreactors, harnessing the full potential of plasmon-assisted chemistry.},
  language  = {en}
}
@article{BanerjiThyssenPampeletal.2021,
  author    = {Banerji, Amitabh and Thyssen, Christoph and Pampel, Barbara and Huwer, Johannes},
  title     = {Naturwissenschaftsunterricht und Informatik},
  series = {Chemie konkret : CHEMKON ; Forum f{\"u}r Unterricht und Didaktik},
  volume    = {28},
  journal   = {Chemie konkret : CHEMKON ; Forum f{\"u}r Unterricht und Didaktik},
  number    = {6},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0944-5846},
  doi       = {10.1002/ckon.202100008},
  pages     = {263 -- 265},
  year      = {2021},
  abstract  = {Computer literacy plays an increasingly important role in the education of 21st-century society. For chemistry' education. this results in two aspects: On the one hand. informatics education concepts can help to promote chemistry- and science-specific ways of thinking and working. On the other hand, chemistry education can contribute to information education. This paper addresses both aspects and tries to point out the Mutual benefits of informatics education and science education with regards to chemistry lessons.},
  language  = {de}
}
@article{ZhaoOpitzEljarratetal.2021,
  author    = {Zhao, Yuhang and Opitz, Andreas and Eljarrat, Alberto and Kochovski, Zdravko and Koch, Christoph and Koch, Norbert and Lu, Yan},
  title     = {Kinetic study on the adsorption of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane on Ag nanoparticles in chloroform},
  series = {ACS applied nano materials},
  volume    = {4},
  journal   = {ACS applied nano materials},
  number    = {11},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {2574-0970},
  doi       = {10.1021/acsanm.1c02153},
  pages     = {11625 -- 11635},
  year      = {2021},
  abstract  = {In this study, the kinetics of the adsorption of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F(4)TCNQ) on the surface of Ag nanoparticles (Ag NPs) in chloroform has been intensively investigated, as molecular doping is known to play a crucial role in organic electronic devices. Based on the results obtained from UV-visible (vis)-near-infrared (NIR) absorption spectroscopy, cryogenic transmission electron microscopy, scanning nanobeam electron diffraction, and electron energy loss spectroscopy, a two-step interaction kinetics has been proposed for the Ag NPs and F(4)TCNQ molecules, which includes the first step of electron transfer from Ag NPs to F(4)TCNQ indicated by the ionization of F(4)TCNQ and the second step of the formation of a Ag-F(4)TCNQ complex. The whole process has been followed via UV-vis-NIR absorption spectroscopy, which reveals distinct kinetics at two stages: the instantaneous ionization and the long-term complex formation. The kinetics and the influence of the molar ratio of Ag NPs/F(4)TCNQ molecules on the interaction between Ag NPs and F(4)TCNQ molecules in an organic solution are reported herein for the first time. Furthermore, the control experiment with silica-coated Ag NPs manifests that the charge transfer at the surface between Ag NPs and F(4)TCNQ molecules is prohibited by a silica layer of 18 nm.},
  language  = {en}
}
@article{ZhouXuMaetal.2021,
  author    = {Zhou, Shuo and Xu, Xun and Ma, Nan and Jung, Friedrich and Lendlein, Andreas},
  title     = {Influence of sterilization conditions on sulfate-functionalized polyGGE},
  series = {Clinical hemorheology and microcirculation : blood flow and vessels},
  volume    = {79},
  journal   = {Clinical hemorheology and microcirculation : blood flow and vessels},
  number    = {4},
  publisher = {IOS Press},
  address   = {Amsterdam},
  issn      = {1386-0291},
  doi       = {10.3233/CH-211241},
  pages     = {597 -- 608},
  year      = {2021},
  abstract  = {Sulfated biomolecules are known to influence numerous biological processes in all living organisms. Particularly, they contribute to prevent and inhibit the hypercoagulation condition. The failure of polymeric implants and blood contacting devices is often related to hypercoagulation and microbial contamination. Here, bioactive sulfated biomacromolecules are mimicked by sulfation of poly(glycerol glycidyl ether) (polyGGE) films. Autoclaving, gamma-ray irradiation and ethylene oxide (EtO) gas sterilization techniques were applied to functionalized materials. The sulfate group density and hydrophilicity of sulfated polymers were decreased while chain mobility and thermal degradation were enhanced post autoclaving when compared to those after EtO sterilization. These results suggest that a quality control after sterilization is mandatory to ensure the amount and functionality of functionalized groups are retained.},
  language  = {en}
}
@phdthesis{Mostafa2024,
  author    = {Mostafa, Amr},
  title     = {DNA origami nanoforks: A platform for cytochrome c single molecule surface enhanced Raman spectroscopy},
  doi       = {10.25932/publishup-63548},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-635482},
  school      = {Universit{\"a}t Potsdam},
  pages     = {xi, 90, x},
  year      = {2024},
  abstract  = {This thesis presents a comprehensive exploration of the application of DNA origami nanofork antennas (DONAs) in the field of spectroscopy, with a particular focus on the structural analysis of Cytochrome C (CytC) at the single-molecule level. The research encapsulates the design, optimization, and application of DONAs in enhancing the sensitivity and specificity of Raman spectroscopy, thereby offering new insights into protein structures and interactions. The initial phase of the study involved the meticulous optimization of DNA origami structures. This process was pivotal in developing nanoscale tools that could significantly enhance the capabilities of Raman spectroscopy. The optimized DNA origami nanoforks, in both dimer and aggregate forms, demonstrated an enhanced ability to detect and analyze molecular vibrations, contributing to a more nuanced understanding of protein dynamics. A key aspect of this research was the comparative analysis between the dimer and aggregate forms of DONAs. This comparison revealed that while both configurations effectively identified oxidation and spin states of CytC, the aggregate form offered a broader range of detectable molecular states due to its prolonged signal emission and increased number of molecules. This extended duration of signal emission in the aggregates was attributed to the collective hotspot area, enhancing overall signal stability and sensitivity. Furthermore, the study delved into the analysis of the Amide III band using the DONA system. Observations included a transient shift in the Amide III band's frequency, suggesting dynamic alterations in the secondary structure of CytC. These shifts, indicative of transitions between different protein structures, were crucial in understanding the protein's functional mechanisms and interactions. The research presented in this thesis not only contributes significantly to the field of spectroscopy but also illustrates the potential of interdisciplinary approaches in biosensing. The use of DNA origami-based systems in spectroscopy has opened new avenues for research, offering a detailed and comprehensive understanding of protein structures and interactions. The insights gained from this research are expected to have lasting implications in scientific fields ranging from drug development to the study of complex biochemical pathways. This thesis thus stands as a testament to the power of integrating nanotechnology, biochemistry, and spectroscopic techniques in addressing complex scientific questions.},
  language  = {en}
}