@article{WehShoyamaWuerthner2023,
  author    = {Weh, Manuel and Shoyama, Kazutaka and W{\"u}rthner, Frank},
  title     = {Preferential molecular recognition of heterochiral guests within a cyclophane receptor},
  series = {Nature Communications},
  volume    = {14},
  journal   = {Nature Communications},
  doi       = {10.1038/s41467-023-35851-3},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-357750},
  year      = {2023},
  abstract  = {The discrimination of enantiomers by natural receptors is a well-established phenomenon. In contrast the number of synthetic receptors with the capability for enantioselective molecular recognition of chiral substrates is scarce and for chiral cyclophanes indicative for a preferential binding of homochiral guests. Here we introduce a cyclophane composed of two homochiral core-twisted perylene bisimide (PBI) units connected by p-xylylene spacers and demonstrate its preference for the complexation of [5]helicene of opposite helicity compared to the PBI units of the host. The pronounced enantio-differentiation of this molecular receptor for heterochiral guests can be utilized for the enrichment of the P-PBI-M-helicene-P-PBI epimeric bimolecular complex. Our experimental results are supported by DFT calculations, which reveal that the sterically demanding bay substituents attached to the PBI chromophores disturb the helical shape match of the perylene core and homochiral substrates and thereby enforce the formation of syndiotactic host-guest complex structures. Hence, the most efficient substrate binding is observed for those aromatic guests, e. g. perylene, [4]helicene, phenanthrene and biphenyl, that can easily adapt in non-planar axially chiral conformations due to their inherent conformational flexibility. In all cases the induced chirality for the guest is opposed to those of the embedding PBI units, leading to heterochiral host-guest structures.},
  language  = {en}
}
@phdthesis{Bauer2023,
  author    = {Bauer, Christian},
  title     = {Towards ecological and efficient electrochemical energy storage in supercapacitors and sodium ion batteries using onion-like carbon},
  doi       = {10.25972/OPUS-31795},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-317956},
  school      = {Universit{\"a}t W{\"u}rzburg},
  year      = {2023},
  abstract  = {In this thesis, the usage of onion-like carbon (OLC) for energy storage applications was researched regarding sustainability, performance and processability. This work targets to increase the scientific understanding regarding the role of OLC in electrodes and to facilitate a large-scale production, which is the foundation for commercial application. Research was devoted to increase the knowledge in the particular field, to yield synergistic approaches and a shared value regarding sustainability and performance.},
  subject      = {Elektrochemie},
  language  = {en}
}
@phdthesis{Mahlmeister2023,
  author    = {Mahlmeister, Bernhard},
  title     = {Twisted Rylene Bisimides for Organic Solar Cells and Strong Chiroptical Response in the Near Infrared},
  doi       = {10.25972/OPUS-34610},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-346106},
  school      = {Universit{\"a}t W{\"u}rzburg},
  year      = {2023},
  abstract  = {The chirality of the interlocked bay-arylated perylene motif is investigated upon its material prospect and the enhancement of its chiroptical response to the NIR spectral region. A considerable molecular library of inherently chiral perylene bisimides (PBIs) was utilized as acceptors in organic solar cells to provide decent device performances and insights into the structure-property relationship of PBI materials within a polymer blend. For the first time in the family of core-twisted PBIs, the effects of enantiopurity on the device performance was thoroughly investigated. The extraordinary structural sensitivity of CD spectroscopy served as crucial analytical tool to bridge the highly challenging gap between molecular properties and device analytics by proving the excitonic chirality of a helical PBI dimer. The chirality of this perylene motif could be further enhanced on a molecular level by both the expansion and the enhanced twisting of the π-scaffold to achieve a desirable strong chiroptical NIR response introducing a new family of twisted QBI-based nanoribbons. These achievements could be substantially further developed by expanding this molecular concept to a supramolecular level. The geometrically demanding supramolecular arrangement necessary for the efficient excitonic coupling was carefully encoded into the molecular design. Accordingly, the QBIs could form the first J-type aggregate constituting a fourfold-stranded superhelix of a rylene bisimide with strong excitonic chirality. Therefore, this thesis has highlighted the mutual corroboration of experimental and theoretical data from the molecular to the supramolecular level. It has demonstrated that for rylene bisimide dyes, the excitonic contribution to the overall chiroptical response can be designed and rationalized. This can help to pave the way for new organic functional materials to be used for chiral sensing or chiral organic light-emitting devices.},
  subject      = {Molek{\"u}l},
  language  = {en}
}
@article{BrennerGeigerSchlegeletal.2023,
  author    = {Brenner, Daniela and Geiger, Nina and Schlegel, Jan and Diesendorf, Viktoria and Kersting, Louise and Fink, Julian and Stelz, Linda and Schneider-Schaulies, Sibylle and Sauer, Markus and Bodem, Jochen and Seibel, J{\"u}rgen},
  title     = {Azido-ceramides, a tool to analyse SARS-CoV-2 replication and inhibition — SARS-CoV-2 is inhibited by ceramides},
  series = {International Journal of Molecular Sciences},
  volume    = {24},
  journal   = {International Journal of Molecular Sciences},
  number    = {8},
  issn      = {1422-0067},
  doi       = {10.3390/ijms24087281},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-313581},
  year      = {2023},
  abstract  = {Recently, we have shown that C6-ceramides efficiently suppress viral replication by trapping the virus in lysosomes. Here, we use antiviral assays to evaluate a synthetic ceramide derivative α-NH2-ω-N3-C6-ceramide (AKS461) and to confirm the biological activity of C6-ceramides inhibiting SARS-CoV-2. Click-labeling with a fluorophore demonstrated that AKS461 accumulates in lysosomes. Previously, it has been shown that suppression of SARS-CoV-2 replication can be cell-type specific. Thus, AKS461 inhibited SARS-CoV-2 replication in Huh-7, Vero, and Calu-3 cells up to 2.5 orders of magnitude. The results were confirmed by CoronaFISH, indicating that AKS461 acts comparable to the unmodified C6-ceramide. Thus, AKS461 serves as a tool to study ceramide-associated cellular and viral pathways, such as SARS-CoV-2 infections, and it helped to identify lysosomes as the central organelle of C6-ceramides to inhibit viral replication.},
  language  = {en}
}
@unpublished{SaalSwainSchmiedeletal.2023,
  author    = {Saal, Fridolin and Swain, Asim and Schmiedel, Alexander and Holzapfel, Marco and Lambert, Christoph and Ravat, Prince},
  title     = {Push-Pull [7]Helicene Diimide: Excited-State Charge Transfer and Solvatochromic Circularly Polarised Luminescence},
  edition   = {submitted version},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-345207},
  year      = {2023},
  abstract  = {In this communication we describe a helically chiral push-pull molecule named 9,10-dimethoxy-[7]helicene diimide, displaying fluorescence (FL) and circularly polarised luminescence (CPL) over nearly the entire visible spectrum dependent on solvent polarity. The synthesised molecule exhibits an unusual solvent polarity dependence of FL quantum yield and nonradiative rate constant, as well as remarkable gabs and glum values along with high configurational stability.},
  language  = {en}
}
@phdthesis{Scheitl2023,
  author    = {Scheitl, Carolin P. M.},
  title     = {In vitro selected ribozymes for RNA methylation and labeling},
  doi       = {10.25972/OPUS-33004},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-330049},
  school      = {Universit{\"a}t W{\"u}rzburg},
  year      = {2023},
  abstract  = {The focus of this work was the development and application of highly efficient RNA catalysts for the site-specific modification of RNA with special focus on methylation. In the course of this thesis, the first methyltransferase ribozyme (MTR1), which uses m6G as the methyl group donor was developed and further characterized. The RNA product was identified as the natural modification m1A. X-Ray crystallography was used to solve the 3D structure of the ribozyme, which directly suggested a plausible reaction meachnism. The MTR1 ribozyme was also successfully repurposed for a nucleobase transformation reaction of a purine nucleoside. This resulted in a formyl-imidazole moiety directly on the intact RNA, which was directly used for further bioconjugation reactions. Finally, additional selections and reselections led to the identification of highly active alkyltransferase ribozymes that can be used for the labeling of various RNA targets},
  subject      = {Methylierung},
  language  = {en}
}
@article{OkudaLenzSeitzetal.2023,
  author    = {Okuda, Takumi and Lenz, Ann-Kathrin and Seitz, Florian and Vogel, J{\"o}rg and H{\"o}bartner, Claudia},
  title     = {A SAM analogue-utilizing ribozyme for site-specific RNA alkylation in living cells},
  series = {Nature Chemistry},
  journal   = {Nature Chemistry},
  doi       = {10.1038/s41557-023-01320-z},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-328762},
  year      = {2023},
  abstract  = {Post-transcriptional RNA modification methods are in high demand for site-specific RNA labelling and analysis of RNA functions. In vitro-selected ribozymes are attractive tools for RNA research and have the potential to overcome some of the limitations of chemoenzymatic approaches with repurposed methyltransferases. Here we report an alkyltransferase ribozyme that uses a synthetic, stabilized S-adenosylmethionine (SAM) analogue and catalyses the transfer of a propargyl group to a specific adenosine in the target RNA. Almost quantitative conversion was achieved within 1 h under a wide range of reaction conditions in vitro, including physiological magnesium ion concentrations. A genetically encoded version of the SAM analogue-utilizing ribozyme (SAMURI) was expressed in HEK293T cells, and intracellular propargylation of the target adenosine was confirmed by specific fluorescent labelling. SAMURI is a general tool for the site-specific installation of the smallest tag for azide-alkyne click chemistry, which can be further functionalized with fluorophores, affinity tags or other functional probes.},
  language  = {en}
}
@unpublished{NeitzHoebartner2023,
  author    = {Neitz, Hermann and H{\"o}bartner, Claudia},
  title     = {A tolane-modified 5-ethynyluridine as a universal and fluorogenic photochemical DNA crosslinker},
  series = {Chemical Communications},
  journal   = {Chemical Communications},
  edition   = {submitted version},
  doi       = {10.1039/D3CC03796G},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-328255},
  year      = {2023},
  abstract  = {We report the fluorescent nucleoside ToldU and its application as a photoresponsive crosslinker in three different DNA architectures with enhanced fluorescence emission of the crosslinked products. The fluorogenic ToldU crosslinking reaction enables the assembly of DNA polymers in a hybridization chain reaction for the concentration-dependent detectio of a specific DNA sequence.},
  language  = {en}
}
@unpublished{DietzschJayachandranMuelleretal.2023,
  author    = {Dietzsch, Julia and Jayachandran, Ajay and Mueller, Stefan and H{\"o}bartner, Claudia and Brixner, Tobias},
  title     = {Excitonic coupling of RNA-templated merocyanine dimer studied by higher-order transient absorption spectroscopy},
  series = {Chemical Communications},
  journal   = {Chemical Communications},
  edition   = {submitted version},
  doi       = {10.1039/D3CC02024J},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-327772},
  year      = {2023},
  abstract  = {We report the synthesis and spectroscopic analysis of RNA containing the barbituric acid merocyanine rBAM2 as a nucleobase surrogate. Incorporation into RNA strands by solid-phase synthesis leads to fluorescence enhancement compared to the free chromophore. In addition, linear absorption studies show the formation of an excitonically coupled H-type dimer in the hybridized duplex. Ultrafast third- and fifth-order transient absorption spectroscopy of this non-fluorescent dimer suggests immediate (sub-200 fs) exciton transfer and annihilation due to the proximity of the rBAM2 units.},
  language  = {en}
}
@phdthesis{SanchezNaya2023,
  author    = {S{\´a}nchez Naya, Roberto},
  title     = {Synthesis and Characterization of Dye-Containing Covalent Organic Frameworks},
  doi       = {10.25972/OPUS-28899},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-288996},
  school      = {Universit{\"a}t W{\"u}rzburg},
  year      = {2023},
  abstract  = {The present thesis adress the synthesis and characterization of novel COFs that contain dye molecules as integral components of the organic backbone. These chromophore-containing frameworks open new research lines in the field and call for the exploration of applications such as catalysis, sensing, or in optoelectronic devices. Initially, the fabrication of organic-inorganic composites by the growth of DPP TAPP COF around functionalized iron oxide nanoparticles is reported. By varying the ratio between inorganic nanoparticles and organic COFs, optoelectronic properties of the materials are adjusted. The document also reports the synthesis of a novel boron dipyrromethene-containing (BODIPY) COF. Synthesis, full characterization and the scope of potential applications with a focus on environmental remediation are discussed in detail. Last, a novel diketopyrrolopyrrole-containing (DPP) DPP-Py-COF based on the combination of DDP and pyrene building blocks is presented. The very low bandgap of these materials and initial investigations on the photosensitizing properties are discussed.},
  subject      = {Organische Chemie},
  language  = {en}
}