Refine
Has Fulltext
- yes (363)
Is part of the Bibliography
- yes (363) (remove)
Year of publication
Document Type
- Journal article (234)
- Doctoral Thesis (113)
- Preprint (14)
- Book article / Book chapter (1)
- Report (1)
Language
- English (363) (remove)
Keywords
- Organische Chemie (68)
- Supramolekulare Chemie (21)
- Selbstorganisation (18)
- self-assembly (16)
- Farbstoff (13)
- perylene bisimide (13)
- fluorescence (12)
- Merocyanine (11)
- RNA (11)
- water oxidation (11)
- Fluoreszenz (10)
- Perylenbisimid (10)
- Perylenderivate (10)
- Aggregation (9)
- supramolecular chemistry (9)
- Chemie (8)
- Elektronentransfer (8)
- SARS-CoV-2 (7)
- photocatalysis (7)
- polycyclic aromatic hydrocarbons (7)
- Squaraine (6)
- catalysis (6)
- dyes (6)
- in vitro selection (6)
- organic chemistry (6)
- Chemische Synthese (5)
- Chromophor (5)
- Exziton (5)
- Katalyse (5)
- Nucleinsäuren (5)
- Self-assembly (5)
- energy transfer (5)
- luminescence (5)
- DNA (4)
- Flüssigkristall (4)
- Ladungstransfer (4)
- Metallosupramolekulare Chemie (4)
- NMR-Spektroskopie (4)
- Naphthylisochinolinalkaloide (4)
- Perylenbisdicarboximide <Perylen-3,4:9,10-bis(dicarboximide)> (4)
- Perylene Bisimide (4)
- Polymere (4)
- Ruthenium complexes (4)
- Supramolekulare Struktur (4)
- Wasseroxidation (4)
- aggregation (4)
- boranes (4)
- chemistry (4)
- chirality (4)
- circular dichroism (4)
- dyes/pigments (4)
- exciton coupling (4)
- liquid crystals (4)
- macrocycles (4)
- organic solar cells (4)
- photoinduced electron transfer (4)
- ruthenium complexes (4)
- sphingolipids (4)
- structure elucidation (4)
- transient absorption (4)
- Aggregat <Chemie> (3)
- Ancistrocladaceae (3)
- C-C coupling (3)
- Chirality (3)
- Chiralität <Chemie> (3)
- DNS (3)
- Deoxyribozymes (3)
- Energietransfer (3)
- Fluorescence (3)
- Fotokatalyse (3)
- Hydrogel (3)
- Merocyanin (3)
- Quantenchemie (3)
- RNA modification (3)
- Ruthenium Komplexe (3)
- Selbstassemblierung (3)
- Self-Assembly (3)
- Triarylamine (3)
- Wasser (3)
- absolute configuration (3)
- aromaticity (3)
- artificial photosynthesis (3)
- cell imaging (3)
- ceramide (3)
- ceramides (3)
- deoxyribozymes (3)
- electron transfer (3)
- homogeneous catalysis (3)
- kinetics (3)
- merocyanines (3)
- metallosupramolecular chemistry (3)
- molecular docking (3)
- naphthylisoquinoline alkaloids (3)
- non-covalent interactions (3)
- organic photodiodes (3)
- organische Solarzelle (3)
- pentacene (3)
- spectroscopy (3)
- transient absorption spectroscopy (3)
- triarylamine (3)
- 10-bis(dicarboximide)> (2)
- 4:9 (2)
- Ancistrocladus (2)
- Anorganische Chemie (2)
- Aptamer (2)
- Aromatically annulated triquinacenes (2)
- Aromatisch anellierte Triquinacene (2)
- Chili RNA Aptamer (2)
- Chiralität (2)
- Click-Chemie (2)
- Corannulene (2)
- Design (2)
- Dyade (2)
- Dyes (2)
- Energy Transfer (2)
- Epitranscriptomics (2)
- Exciton coupling (2)
- Exzitonenkopplung (2)
- FRET (2)
- Fluoreszenz-Resonanz-Energie-Transfer (2)
- G-quadruplexes (2)
- Gold (2)
- Guanidinderivate (2)
- Holothuria spinifera (2)
- J- and H-Aggregate (2)
- J- and H-Aggregates (2)
- J‐aggregates (2)
- LC-HRESIMS (2)
- Liquid Crystal (2)
- Merocyanine dyes (2)
- Methyltransferase (2)
- Molekulare Erkennung (2)
- Nucleoside (2)
- Oligomere (2)
- Organic Chemistry (2)
- Organische Solarzelle (2)
- Organische Synthese (2)
- Organischer Feldeffekttransistor (2)
- Organischer Halbleiter (2)
- Oxidation (2)
- Perylenbisdicarboximide (2)
- Perylenbisdicarboximide <Perylen-3 (2)
- Perylenbisimide (2)
- Perylene bisimide (2)
- Photochemistry (2)
- Photosensibilisator (2)
- Polycyclische Aromaten (2)
- Pyrene (2)
- RNA Enzymes (2)
- RNA labeling (2)
- RNA-dependent RNA polymerase (2)
- RNS (2)
- Ringöffnungspolymerisation (2)
- Rutheniumkomplexe (2)
- Scheibe-Aggregat (2)
- Selbstassoziation (2)
- Spinchemie (2)
- Strukturaufklärung (2)
- Supramolecular Chemistry (2)
- Transiente Absorption (2)
- Triarylamin (2)
- Triquinacenderivate (2)
- UV/Vis spectroscopy (2)
- Wasserstoffbrückenbindung (2)
- Wirt-Gast-Beziehung (2)
- X-ray crystallography (2)
- XNA (2)
- absorption (2)
- acid sphingomyelinase (2)
- annulation (2)
- azulene (2)
- boron (2)
- boronate esters (2)
- cage compounds (2)
- cerebrosides (2)
- charge separation (2)
- charge transfer (2)
- chirality transfer (2)
- click chemistry (2)
- cooperativity (2)
- corannulene (2)
- crystal engineering (2)
- curved hydrocarbons (2)
- cyclophane (2)
- cyclophanes (2)
- cytotoxic activity (2)
- cytotoxicity (2)
- density functional calculations (2)
- dimer (2)
- dynamic covalent chemistry (2)
- electrocatalysis (2)
- epitranscriptomics (2)
- fullerenes (2)
- gekrümmte Kohlenwasserstoffe (2)
- helicenes (2)
- heterogeneous catalysis (2)
- homogenous catalysis (2)
- hydrogen bonding (2)
- intervalence charge transfer (2)
- lysosome (2)
- macrocycle (2)
- marine natural product (2)
- mechanism (2)
- nanographene (2)
- naphthalene diimide (2)
- nicht-kovalente Wechselwirkungen (2)
- oligothiophenes (2)
- optical spectroscopy (2)
- organic semiconductors (2)
- organic solar cell (2)
- perylene bisimides (2)
- phosphorescence (2)
- polymer-peptide-conjugate (2)
- polymerization (2)
- polymers (2)
- redox cascade (2)
- renewable fuels (2)
- ribozymes (2)
- ruthenium (2)
- ruthenium bda complexes (2)
- self-sorting (2)
- singlet oxygen (2)
- site-specific RNA cleavage (2)
- solid-state emitters (2)
- solvent effects (2)
- spin chemistry (2)
- squaraine dyes (2)
- stereochemistry (2)
- streptomyces (2)
- supramolekulare Chemie (2)
- thermodynamics (2)
- thiol-ene (2)
- triplet (2)
- triquinacene derivatives (2)
- two-photon absorption (2)
- two-photon excited fluorescence (2)
- water (2)
- water splitting (2)
- "steepest descent-modest ascent" (1)
- "steilsten Abstieg - schwächste Aufstieg" (1)
- (bi)pyridine-based ligand (1)
- 2"-> (1)
- 2':6' (1)
- 2-photon absorption (1)
- 5'-O-Methyldioncophylline D (1)
- A-D-A dyes (1)
- A. abbreviatus (1)
- A. likoko (1)
- ADME analysis (1)
- AIE (1)
- API (1)
- Absolute Configuration (1)
- Absolute Konfiguration (1)
- Absorption (1)
- Acenes (1)
- Acetylneuraminsäure <N-> (1)
- Actinomyceten (1)
- Actinomycetes (1)
- Adsorption (1)
- Aggregate (1)
- Akzeptor <Chemie> (1)
- Aldehyde Bioconjugation (1)
- Alkaloid (1)
- Alkaloide (1)
- Alkoxylradikale (1)
- Alkoxylradikals (1)
- Alkyltransferase Ribozyme SAMURI (1)
- Alzheimer′s disease (1)
- Aminosäuren (1)
- Amphiphile Verbindungen (1)
- Amplification (1)
- Analysis of RNA Modifications (1)
- Anchimeric assistance in solvolysis (1)
- Ancistrocladus ealaensis (1)
- Ancistrocladus likoko (1)
- Ancistrolikokine E3 (1)
- Anode (1)
- Anti-infectious activity (1)
- Antiausterity activity (1)
- Antimalariamittel (1)
- Antimicrobial activities (1)
- Antimicrobial proteins (1)
- Antimikrobielle Aktivitäten (1)
- Antimikrobieller Wirkstoff (1)
- Antitumor-Antibiotikum (1)
- Antitumor-antibitioc (1)
- Antiviral nucleoside analogues (1)
- Apoptosis (1)
- Arene-Fluoroarene (1)
- Aromatic-hydrocarbon (1)
- Artificial Base Pair (1)
- Aspergillus niger (1)
- Asymmetric synthesis (1)
- Asymmetrische Synthese (1)
- Atomic and molecular interactions with photons (1)
- Atropisomere (1)
- Atropisomerie (1)
- BMP-2 (1)
- BMP-2 delivery (1)
- Bacillus megaterium (1)
- Baltic Sea (1)
- Barbituric Acid Merocyanines (1)
- Base pairing (1)
- Basenpaarung (1)
- Bicyclo[1.1.0]butylcarbinyl sulfonates (1)
- Biochemistry (1)
- Biocompatibility (1)
- Biodegradable polymer scaffolds (1)
- Biomaterial (1)
- Bioorganic chemistry (1)
- Bioorganik (1)
- Bioorthogonal (1)
- Bioorthogonal Tag (1)
- Biradikal (1)
- Bodipy (1)
- Bola-Amphiphil (1)
- Bone morphogenetic protein-2 (1)
- Bone tissue engineering (1)
- Bor-Stickstoff-Verbindungen (1)
- Borane (1)
- Boron-Nitrogen Dative Bond (1)
- Butadien (1)
- C-13 NMR (1)
- CCL2 (MCP-1) (1)
- CD-Spektroskopie (1)
- CD4+ T cells (1)
- CD8+ T cells (1)
- COVID-19 (1)
- CXCL8 (IL-8) (1)
- Caco-2 (1)
- Cage (1)
- Calix[4]aren (1)
- Carbazolderivate (1)
- Carbon (1)
- Carboxylat-Rezeptor (1)
- Catalysis (1)
- Ceramide (1)
- Charge-transfer-Komplexe (1)
- Chemical modification (1)
- Chemische Bindung (1)
- Chemische Reaktion (1)
- Chemosensor (1)
- Chirality Transfer (1)
- Chlorin (1)
- Chlorinderivate (1)
- Chromophore (1)
- Chromophore Assembly (1)
- Chromophores (1)
- Circular Dichroism (1)
- Circular dichroism (1)
- Circular-Dichroismus (1)
- Co-Crystal Structures of Chili RNA (1)
- Computational chemistry (1)
- Computerchemie (1)
- Congo (1)
- Congolese Ancistrocladus plants (1)
- Conjugated polymers (1)
- Coordination Polymer (1)
- Coronaviren (1)
- Covalent Organic Framework (1)
- Crosslinker (1)
- Crosslinking (1)
- Cryoelectron Microscopy (1)
- Cryoelectron microscopy (1)
- Crystal structure of MTR1 (1)
- Cyaninfarbstoff (1)
- Cyclic peptides (1)
- Cyclobutylcarbinyl sulfonates (1)
- Cyclooctine (1)
- Cyclooctyne (1)
- Cyclophan (1)
- Cyclovoltammetrie (1)
- DNA catalysis (1)
- DNA catalyst (1)
- DNA-based nanostructures (1)
- DNA-processing enzymes (1)
- DNA/RNA binding (1)
- DNA/RNA sensors (1)
- DNS-Schädigung (1)
- DOSY-NMR (1)
- Demethylase (1)
- Demethylierung (1)
- Demokratische Republik Kongo (1)
- Deoxyribozyme (1)
- Diamant (1)
- Diarylethen (1)
- Diarylethene (1)
- Diarylethylene (1)
- Dicarboximide (1)
- Dicarboximides (1)
- Dichtebestimmung in Theorie und Experiment (1)
- Dictyota (1)
- Dictyotaceae (1)
- Dihydrooxazole (1)
- Dimer (1)
- Dimer-Konfiguration (1)
- Dimere (1)
- Dimeric Naphthylisoquinoline Alkaloids (1)
- Dimers (1)
- Dioncophylline C (1)
- Donator <Chemie> (1)
- Donor (1)
- Donor-Akzeptor Triaden (1)
- Donor-Photosensibilisator-Akzeptor Triade (1)
- Donor−acceptor dyads (1)
- Drug Delivery System (1)
- Dyad (1)
- Dye (1)
- Dyes/pigments (1)
- Dünnschichttransistor (1)
- EPR (1)
- EPR spectroscopy (1)
- Effectors in plant pathology (1)
- Electron (1)
- Electron Transfer (1)
- Electron demand in ditosylates (1)
- Electron density (1)
- Electron transfer (1)
- Elektrochemie (1)
- Elektronendichte (1)
- Elektronendichtebestimmung (1)
- Elektronenspinresonanzspektroskopie (1)
- Emission (1)
- Energieaufnahme (1)
- Energietransfer <Mikrophysik> (1)
- Energy transfer (1)
- Enzym (1)
- Enzymes (1)
- Enzyminhibitor (1)
- Epitranskriptom (1)
- Eriodictyon californicum (1)
- Excitons (1)
- FT-IR spectroscopy (1)
- Farbstoffe (1)
- Farbstoffe/Pigmente (1)
- Festkörper-NMR (1)
- Festphasensynthese (1)
- Fiels-effect transistors (1)
- Fluorescence and Crosslinking (1)
- Fluoreszenzaktivierung (1)
- Fluoreszenzresonanz-Energietransfer (1)
- Fluoreszenzspektrometer (1)
- Fluoreszenzspektroskopie (1)
- Fluorogenic RNA Aptamers (1)
- Foldamers (1)
- Fulleren-Netzwerk (1)
- Fullerene (1)
- Functional nucleic acids (1)
- Functionalization (1)
- Fungal host response (1)
- Funktionalisierung <Chemie> (1)
- Funktionelle Polymere (1)
- Galectine (1)
- Garcinia biflavonoids (1)
- Gelieren (1)
- Gibbs activation energy (1)
- Glucosyltransferasen (1)
- Glycoengineering (1)
- Glycosyltransferase (1)
- Gold Nanoparticles (1)
- Gold Nanopartikel (1)
- Golgi (1)
- Graphene nanoribbons (1)
- Growth; BMP-2 (1)
- Grün fluoreszierendes Protein (1)
- Guanidiniocarbonylpyrrol (1)
- H-Aggregate (1)
- H-bonds (1)
- H2A histone family member X (H2AX) (1)
- HIV (1)
- HRMS (1)
- Halbleiter (1)
- Hekate (1)
- Helicene (1)
- Helicene diimide (1)
- Helicität <Chemie> (1)
- Helix- and Zick-Zack-Konformere (1)
- Helix- and Zig-Zag-Conformers (1)
- Helix-Coil-Transition (1)
- Helix-Knäuel-Umwandlung (1)
- Heterosolarzelle (1)
- Hexaarylbenzene (1)
- Hexaarylbenzole (1)
- High efficiency (1)
- High performance (1)
- High-Throughput Sequencing Method, DZ-seq (1)
- Higher-order Transient Absorption Spectroscopy (1)
- Host-Guest Chemistry (1)
- Host-Guest-Chemistry (1)
- Hydrogen bond (1)
- Hyperfine coupling constants (1)
- In-vitro (1)
- Indirect and direct contributions to A<sub>iso</sub> (1)
- Influence of excitation classes (1)
- Inhibitor (1)
- Intensity (1)
- Intermolecular Interactions (1)
- Intermolekulare Wechselwirkungen (1)
- Intervalenzladungstransfer (1)
- Iridium-Photosensibilisator (1)
- Iridiumkomplexe (1)
- Isolation (1)
- Isolierung (1)
- Isolierung <Chemie> (1)
- Isomorphe Nukleobasen-Analoga (1)
- J-Aggregat (1)
- J-Aggregate (1)
- J-Aggregates (1)
- J-aggregate (1)
- J-aggregate behavior (1)
- J-aggregates (1)
- Jozimine A2 (1)
- Jurkat cells (1)
- K-region (1)
- K2–K model (1)
- Kinetic Self-assembly (1)
- Kinetik (1)
- Kohlenhydrate (1)
- Kohlenstoff (1)
- Kohn-Sham Orbitale (1)
- Kohn-Sham Orbitals (1)
- Kolloidalstabilität (1)
- Kombinatorische Synthese (1)
- Komplexierung (1)
- Konfiguration <Chemie> (1)
- Konformeren (1)
- Konglomerat (1)
- Kongo (1)
- Kooperativität (1)
- Koordinationspolymer (1)
- Koordinationspolymere (1)
- Kraftfeld (1)
- Kupplungsreaktion (1)
- Käfigverbindungen (1)
- Ladungstrennung (1)
- Lebende Polymerisation (1)
- Lectins (1)
- Leitfähige Polymere (1)
- Lichtabsorption (1)
- Lichtsammelsystem (1)
- Ligand (1)
- Light-emitting diodes (1)
- Lippert–Mataga plot (1)
- Liquid Crystals (1)
- Liquid-crystalline (1)
- Living Polymerisation (1)
- Lower Critical Solution Temperature (LCST) (1)
- MAS (1)
- METTL8 (1)
- MRCI (1)
- Magnetfeldeffekt (1)
- Makrocyclische Verbindungen (1)
- Makrozyklus (1)
- Mandibular continuity defects (1)
- Marcus inverted region (1)
- Marrow stromal cells (1)
- Mechanismus (1)
- Merocyanine dye (1)
- Mesenchymal transition (1)
- Mesogen (1)
- Metabolismus (1)
- Metaheuristik-Suchmethoden (1)
- Metall-Ion (1)
- Metallosupramolecular chemistry (1)
- Methylierung (1)
- Methyltransferase Ribozyme (1)
- Methyltransferase Ribozyme MTR1 (1)
- Michael addition (1)
- Michael-Addition (1)
- Microenvironment (1)
- Mitochondrial Matrix Protein (1)
- Modified Nucleotides in tRNAs (1)
- Molecular dynamics (1)
- Molecular mechanism (1)
- Molecular probes (1)
- Molecular-dynamics (1)
- Molecules (1)
- Molekül (1)
- Moleküldynamik (1)
- Moleküloptimierung (1)
- Moller-Plesset (1)
- Molnupiravir (1)
- Molnupiravir-Induced RNA Mutagenesis Mechanism (1)
- Monoschicht (1)
- Mulliken-Hush (1)
- Multi Reference (1)
- Multibranched structures (1)
- Multireferenz (1)
- N-acetyllactosamine (1)
- N-oleoyl serinol (1)
- N6-methyladenosine (1)
- N6-methyladenosine (m6A) (1)
- NDI-H (1)
- NIQs (1)
- NIR OLED (1)
- NIR chromophore (1)
- NMR spectroscopy (1)
- Nanodiamant (1)
- Nanopartikel (1)
- Nanoribbon (1)
- Nanosegregation (1)
- Nanostructure (1)
- Nanostrukturen (1)
- Naphthalinbisimid (1)
- Naphthochinonen (1)
- Naphthoquinones (1)
- Naphthyl Isoquinolines (1)
- Naphthylisochinoline (1)
- Naphthylisoindolinone alkaloids (1)
- Naphthylisoquinolin (1)
- Naphthylisoquinoline (1)
- Naphthylisoquinoline alkaloids (1)
- Natural Products (1)
- Natural products (1)
- Naturstoffe (1)
- Neisseria (1)
- Nicht-Fulleren Akzeptor (1)
- Non-Fullerene Acceptor (1)
- Non-linear optics (1)
- Nonlinear Optical Properties of Organic Materials (1)
- Nucleic Acids (1)
- Nucleic acids (1)
- Nucleobase Analogue (1)
- Nucleobase Surrogate Incorporation (1)
- Nucleosidanaloga (1)
- Nukleinsäure (1)
- OEG chains (1)
- OFETs (1)
- OLC (1)
- OLED (1)
- Octavalen (1)
- Oligofructoside (1)
- Oligomers and Polymers (1)
- Oligonucleotide (1)
- Onbead-Enzymscreening (1)
- One-photon (1)
- Optical Spectroscopy (1)
- Optical properties (1)
- Optical spectroscopy (1)
- Optimierungsmethoden (1)
- Optimization methods (1)
- Oral squamous cell carcinoma (1)
- Organelles (1)
- Organic Field-Effect Transistor (1)
- Organic field-effect transistor (1)
- Organic semiconductors (1)
- Organische Halbleiter (1)
- PBI cyclophane (1)
- PEDOT (1)
- PI stacking (1)
- PNA (1)
- Pancreatic cancer (1)
- Paracyclophane (1)
- Pathway (1)
- Pentacen (1)
- Peptid-Nucleinsäuren (1)
- Peptidsynthese (1)
- Perovskite (1)
- Perylen-Farbstoffe (1)
- Perylenbisanhydrid (1)
- Perylenbisimiden (1)
- Perylenbisimides (1)
- Perylene Bisimides (1)
- Perylentetracarbonsäurederivate (1)
- Pflanzenzelle (1)
- Pflanzenzellkulturen (1)
- Phaeophyceae (1)
- Phosphoramidite (1)
- Phosphorylase (1)
- Photochemie (1)
- Photochromie (1)
- Photoconductivity (1)
- Photoelektron (1)
- Photoresponsive DNA Crosslinker (1)
- Phytochemical investigations of a Congolese Ancistrocladus Liana (1)
- Phytochemie (1)
- Plant cell cultures (1)
- Polyamin (1)
- Polycarbazole (1)
- Polycyclic aromatic hydrocarbons (1)
- Polymer (1)
- Polymer-drug interaction (1)
- Polymerhalbleiter (1)
- Polymerkomplexe (1)
- Polymerlösung (1)
- Polymers (1)
- Polymorphismus (1)
- Porosität (1)
- Porous Materials (1)
- Porphyrin (1)
- Potential-energy curves (1)
- Protease (1)
- Protein Corona (1)
- Proteinadsorption (1)
- Proteinen mit antimikrobieller Wirkung (1)
- Protonen-NMR-Spektroskopie (1)
- Protonenreduktion (1)
- Pyren (1)
- Pyrenderivate (1)
- QM/MM (1)
- Quadruplex-DNS (1)
- Quality assessment of antimalarial medicines from the Congo (1)
- Quantenchemische Rechnungen (1)
- Quantifizierung (1)
- Quantum Chemical CD Calculations (1)
- Quantum Chemical Calculations (1)
- Quantum mechanics / molecular modeling (1)
- Quasi-Newton-Verfahren (1)
- RAFT (1)
- RNA Aptamer (1)
- RNA G-quadruplex (1)
- RNA Labelling (1)
- RNA Methyltransferase (1)
- RNA Modification (1)
- RNA aptamers (1)
- RNA cleavage (1)
- RNA ligation (1)
- RNA modifications (1)
- RNA splicing (1)
- RNA structures (1)
- RNA-Aptamere (1)
- RNA-Cleaving Deoxyribozymes (1)
- RNA-Dependent RNA Polymerase (1)
- RNA-catalyzed RNA methylation (1)
- RU-(II) complexes (1)
- Radical-ion pair (1)
- Raman (1)
- Raumfüllung (1)
- Rearrangement of carbocations (1)
- Redox-Kaskade (1)
- Redoxkaskade (1)
- Redoxreaktion (1)
- Reduction (1)
- Remdesivir (1)
- Reticular Chemistry (1)
- Ribozym (1)
- Ribozyme (1)
- Ribozyme-catalyzed RNA labeling (1)
- Ribozymes (1)
- Ring closing metathesis (1)
- Ringschlussmetathese (1)
- Rotation (1)
- Ru(II)–Fe(II)–Ru(II) complex (1)
- Ruthenium (1)
- Ruthenium-Photosensibilisator (1)
- Räumliche Anordnung (1)
- Röntgendiffraktometrie (1)
- SARS (1)
- SARS-CoV-2 polymerase (1)
- SARS-CoV2 Replication Impairment (1)
- SELEX (1)
- SERS (1)
- SIB (1)
- SacB (1)
- Scleractinia (1)
- Screening (1)
- Second coordination sphere engineering (1)
- Self-Assembly in Water (1)
- Self-Sortierung (1)
- Sialic acids (1)
- Sialinsäuren (1)
- Simulations (1)
- Single-molecule microscopy (1)
- Sinus floor augmentation (1)
- Site-Specific RNA Cleavage (1)
- Site-specific RNA labelling (1)
- Solid-State NMR Spectroscopy (1)
- Solution-state NMR (1)
- Sonogashira (1)
- Sonogashira-Hagihara-Reaktion (1)
- Space filling (1)
- Spectroscopy (1)
- Speicher <Informatik> (1)
- Spektroelektrochemie (1)
- Spermin (1)
- Spin density (1)
- Spin flip (1)
- Spin labels (1)
- Spin-Sonde (1)
- Spin-chemistry (1)
- Squamous-cell carcinoma (1)
- Squarain Farbstoffe (1)
- Squaraine Dyes (1)
- Sracking (1)
- Stacking (1)
- Staphylococcus aureus (1)
- State (1)
- Stereochemistry (1)
- Stokes-Verschiebung (1)
- Stokes-shifted fluorescence emission (1)
- Streptomyces axinellae (1)
- Structural Biology (1)
- Structural elucidation (1)
- Structure elucidation (1)
- Struktursonden (1)
- Stylissa carteri (1)
- Suc1 (1)
- Supercap (1)
- Superkondensator (1)
- Supramolecular Block Copolymers (1)
- Supramolecular Element (1)
- Supramolecular Interaction (1)
- Supramolecular aggregates (1)
- Supramolecular electronics (1)
- Supramolekulare Aggregate (1)
- Suzuki coupling (1)
- Synthese (1)
- Synthesediamant (1)
- Synthetic Functional RNAs (1)
- Synthetischer Farbstoff (1)
- Systems (1)
- TD-DFT (1)
- TERRA RNA (1)
- Tabusuche (1)
- Targeting (1)
- Taxol (1)
- Terpyridinderivate <2 (1)
- Terrylenbisimid (1)
- Terrylenderivate (1)
- Terrylene bisimide (1)
- Thalassodendron ciliatum (1)
- Theoretical Chemistry (1)
- Theoretische Charakterisierung (1)
- Theoretische Chemie (1)
- Theorie (1)
- Thermodynamics (1)
- Thiophen (1)
- Tiplet emiters (1)
- Tiplett Emitter (1)
- Tolane-Modified Fluorescent Nucleosides (1)
- Total Synthesis (1)
- Totalsynthese (1)
- Triad (1)
- Triplett (1)
- Tumorigenicity (1)
- Two-photon absorption (1)
- UV-VIS-Spektroskopie (1)
- UV/Vis-Absorption (1)
- Ultrafast spectroscopy (1)
- Vergleich (1)
- Vesikel (1)
- Vibronic contributions (1)
- Wasserlösliche Polymere (1)
- Wasseroxidationsreaktion (1)
- Wasserspaltung (1)
- Wasserstoffbrücken (1)
- Water (1)
- Water Oxidation (1)
- Wirkmechanismus (1)
- Wirkstoff-Träger-System (1)
- Wirt-Gast-Komplex-Chemie (1)
- X-Ray Diffraction (1)
- X-ray Crystallography (1)
- X-ray diffraction (1)
- XRPD (1)
- Xanthin (1)
- YTH reader proteins (1)
- Zelladhäsion (1)
- Zellkultur (1)
- Zinc Chlorin (1)
- Zink (1)
- Zinkchlorine (1)
- Zweidimensionale NMR-Spektroskopie (1)
- Zweiphotonenabsorption (1)
- [FeFe] hydrogenase mimic (1)
- [FeFe]-Hydrogenase Imitator (1)
- [n]helicenes (1)
- \(\alpha\)-phase (1)
- \(\beta\)-phase (1)
- \(^{1}\)H-\(^{13}\)C HETCOR (1)
- abietane (1)
- acceptor (1)
- activating transcription factor 4 (ATF4) (1)
- adsorption (1)
- aelf-assembly (1)
- alkaloids (1)
- alkaloids-Quinoid (1)
- alkene-alkyne [2+2] photocycloaddition (1)
- amodiaquine (1)
- amphiphilic dyes (1)
- amplification (1)
- ancistrocladinium A (1)
- angeregte Zustände (1)
- annihilation (1)
- anti-cancer-agent (1)
- anti-depressant drug (1)
- anti-trypanosomal (1)
- antibacterial activity (1)
- antidepressants (1)
- antimicrobials (1)
- aqua material (1)
- aqueous medium (1)
- arene-fluoroarene (1)
- arenes (1)
- artemether - lumefantrine (1)
- artificial base pair (1)
- association (1)
- ataxia teleagiectasia mutated (ATM) (1)
- atomic mutagenesis (1)
- atropisomer (1)
- azaborole (1)
- azaphilone (1)
- azido-ceramides (1)
- bacterial infection (1)
- bartalinia robillardoides (1)
- biflavanoids (1)
- bile salt (1)
- bioactive compound (1)
- bioactivities (1)
- biocompatibility (1)
- biological techniques (1)
- biomass (1)
- bioorthogonal SAM analogue ProSeDMA (1)
- bioorthogonal metabolic glycoengineering; click chemistry; sialic acid (1)
- biophysical investigation (1)
- biosynthesis (1)
- biradical (1)
- bis-terpyridyl ligands (1)
- bola-amphiphile (1)
- boric acid (1)
- boronateesters (1)
- borylation (1)
- brown seaweeds (1)
- bulk-heterojunction solar cells (1)
- calix[4]arene (1)
- capillary zone electrophoresis (1)
- carbohydrate chemistry (1)
- carbon (1)
- carboxylate receptor (1)
- carrier transport (1)
- cascade reactions (1)
- catalyst (1)
- catalyst synthesis (1)
- catalysts (1)
- catalytic (1)
- catalytic DNA (1)
- catalytic activity (1)
- catalytic mechanisms (1)
- cell membrane model (1)
- cellular stress response (1)
- ceramidase (1)
- ceramide analogs (1)
- cerebroside (1)
- ceriops decandra (1)
- charge recombination (1)
- charge transport (1)
- charge transport; hydrogen bonding; oligothiophene; organogel; self-assembly (1)
- charge-separated state (1)
- chemical modification (1)
- chiral resolution (1)
- chlorin (1)
- circular polarized luminescence (1)
- circularly polarized luminescence (1)
- co-aggregation (1)
- cocrystallization (1)
- colloid (1)
- columnar phases (1)
- complexation (1)
- complexity (1)
- computational chemistry (1)
- configurational stability (1)
- conformational search (1)
- conjugated molecule (1)
- conjugation (1)
- cooperative (1)
- cooperative self-assembly (1)
- coordination chemistry (1)
- coordination oligomer (1)
- coordination oligomers (1)
- coordination polymer (1)
- covalent and site-specific RNA labeling (1)
- covalent organic framework (1)
- covalent organic frameworks (1)
- cristal engeneering (1)
- crystalline (1)
- crystals (1)
- curcumin (1)
- curvature (1)
- curved π-systems (1)
- cyclic perylene bisimide (1)
- cyclic trimer (1)
- cyclic voltammetry (1)
- cyclische Trimere (1)
- cyclodehydrogenation (1)
- cylindrical micelles (1)
- cysteine protease (1)
- cytoplasm (1)
- decandrinin (1)
- demethylase enzymes FTO and ALKBH5 (1)
- deracemization (1)
- di-\(\pi\)-methane rearrangement (1)
- diamond (1)
- dibenzosemibullvalenes (1)
- dicarboximide (1)
- differential scanning calorimetry (1)
- diffusion (1)
- diketopyrrolopyrroles (1)
- dimerer Naphthylisochinolin-Alkaloide (1)
- dimerization (1)
- dimers (1)
- dinuclear (1)
- dipolar aggregation (1)
- dipole-dipole interaction (1)
- discotic liquid crystals (1)
- discovery (1)
- dissolution rates (1)
- disulfide bonds (1)
- docking (1)
- docking studies (1)
- domain shift (1)
- donor-acceptor dyad (1)
- donor-acceptor dyads (1)
- donor-acceptor interactions (1)
- donor-acceptor triads (1)
- donor-photosensibilisator-acceptor triad (1)
- donor–acceptor (1)
- donor–acceptor dyads (1)
- drug delivery (1)
- drugs (1)
- duplex structure (1)
- dyad (1)
- dyads (1)
- dye (1)
- dye assembly (1)
- dye chemistry (1)
- electron density (1)
- electronic and spintronic devices (1)
- electronic collective variables (1)
- electronic devices (1)
- electronic structure (1)
- electronic wavefunction (1)
- emission (1)
- enantiomerization (1)
- enantiomers (1)
- energy transfer dynamics (1)
- enzyme (1)
- enzyme engineering (1)
- enzyme purification (1)
- enzyme structure (1)
- enzymes (1)
- ergosterol derivative (1)
- ethenoanthracenes (1)
- excimer (1)
- excimer formation (1)
- excited states (1)
- exciton dynamics (1)
- excitonic chirality (1)
- experimental and theoretical determination of electron density (1)
- extractives (1)
- ferroelectrics (1)
- films (1)
- flavenoids (1)
- flavonoids (1)
- flourescence quantum yield (1)
- fluerescence (1)
- fluorenscence (1)
- fluorescence resonance energy transfer (1)
- fluorescence spectroscopy (1)
- fluorescent (1)
- fluorescent probes (1)
- fluorescent protein (1)
- fluorescent resonance energy transfer (1)
- fluorogen-activating RNA aptamer (FLAP) (1)
- fluoxetine (1)
- flux (1)
- folda-dimer (1)
- folded macrocyles (1)
- folding (1)
- folding landscapes (1)
- force field (1)
- fullerene network (1)
- functional dyes (1)
- functionalization (1)
- galectin-1 (1)
- global minimum (1)
- glycocalyx (1)
- glycosphingolipids (1)
- gold (1)
- growth (1)
- guanidiniocarbonyl pyrrole (1)
- guttiferae (1)
- hMSC-TERT (1)
- halbleitende Polymere (1)
- halichondria panicea (1)
- heavy metals (1)
- helicene (1)
- heterocycles (1)
- hexaarylbenzenes (1)
- hexakisadducts (1)
- high-temperature NMR (1)
- homochiral dimer (1)
- host-guest (1)
- host-guest chemistry (1)
- host-guest systems (1)
- hybrid materials (1)
- hydrazone (1)
- hydrocarbons (1)
- hydrogel (1)
- hydrogen bond (1)
- hydroxylation (1)
- imaging (1)
- imidization (1)
- impurity profiling (1)
- in vitro Selection (1)
- in vitro selection from a structured RNA library (1)
- induced phase transition (1)
- inflammation (1)
- inherent chirality (1)
- inhibitor (1)
- intermolecular applications of ribozymes (1)
- intersystem crossing (1)
- intervalence charge-transfer (1)
- intrinsic free space (1)
- invasion (1)
- inflammatory response (1)
- ion pairing (1)
- iridium complex (1)
- iridium photosensitizer (1)
- iron oxide nanoparticles (1)
- isomorphic nucleobase analog (1)
- isotropic hyper fine coupling (1)
- key structure - fluorescence activation relationships (SFARs) (1)
- ladungsgetrennte Zustände (1)
- large Stokes shift (1)
- large stokes shift (1)
- laser (1)
- lectin (1)
- ligand binding (1)
- ligands (1)
- light harvesting (1)
- light-induced interstrand DNA crosslinking (1)
- liposome (1)
- liquid crystal alignment (1)
- liquid crystal (1)
- livingstonei (1)
- low-valent compounds (1)
- magnetic field effect (1)
- major depression (1)
- marine bacteria (1)
- marine fungi (1)
- marine macroalgae (1)
- marine natural products (1)
- marine sponge (1)
- materials (1)
- materials design (1)
- measles (1)
- merocyanine (1)
- merocyanine dye (1)
- merocyanine dyes/pigments (1)
- mesogens (1)
- metabolic analysis (1)
- metabolic glycoengineering (1)
- metabolism (1)
- metadynamics (1)
- metaheuristic methods (1)
- metal complexenes (1)
- metal-ion-ligand coordination (1)
- metal-to-ligand charge transfer (MLCT) (1)
- metallomacrocycles (1)
- metallosupramolecular π-amphiphiles (1)
- methyl viologen (1)
- methyltransferase (1)
- micelles (1)
- microbiology (1)
- microbiology techniques (1)
- microscopy (1)
- migration (1)
- minimal inhibitory concentration (1)
- mobility (1)
- mode of action (1)
- modified RNA nucleotides (1)
- modified monosaccharides (1)
- modified nucleosides (1)
- molecular (1)
- molecular capsules (1)
- molecular dynamics (1)
- molecular recognition (1)
- molecules (1)
- molekulare Erkennung (1)
- multichromophoric arrays (1)
- multiflora (1)
- multimetallic complexes (1)
- multiple myeloma (1)
- n-type semiconductors (1)
- nanomaterials (1)
- nanoparticles (1)
- nanorods and nanosheets (1)
- nanoscale imaging (1)
- nanosegregation (1)
- nanotube (1)
- naphthylisoquinoline alkaloid (1)
- narrow bandwidth (1)
- natural products (1)
- near infrared chirality (1)
- near infrared emitter (1)
- near-IR chromophores (1)
- near-infrared sensitivity (1)
- neutral polyradical (1)
- neutrales Polyradikal (1)
- non-fullerene acceptor (1)
- non-fullerene acceptors (1)
- noncovalent interactions (1)
- nonfullerene acceptors (1)
- nucleation elongation (1)
- nucleation-elongation (1)
- nucleation-elongation model (1)
- nucleic acid (1)
- nucleic acids (1)
- nucleoside modification recognition (1)
- null-aggregate (1)
- obstructive pulmonary disease (1)
- oligo(phenylene ethynylene) (OPE) (1)
- oligothiophene (1)
- on surface self-assembly (1)
- onbead enzym screening (1)
- optical materials (1)
- optical properties (1)
- optics (1)
- optische Eigenschaften (1)
- organic semiconductors (1)
- organic compounds (1)
- organic light emitting diodes (1)
- organic photovoltaics (1)
- organic semiconductor (1)
- organic transistor (1)
- organische Photovoltaik (1)
- organische Solarzellen (1)
- organischer Feldeffekttransistor (1)
- organischer Transitor (1)
- organization (1)
- organogelator (1)
- orylation (1)
- oxidation (1)
- pancreatic cancer (1)
- parallel polar dimers (1)
- pentaketide (1)
- peptide backbone (1)
- perylene bisimide dimers (1)
- perylene bisimide dyes (1)
- perylene bisimide hydrogels (1)
- perylene bismide dye (1)
- perylene dyes (1)
- perylene imide (1)
- perylenebisimide (1)
- perylenebisimide dyes (1)
- phenazine (1)
- phenylboronate (1)
- phosphodiesterase-4 inhibitor (1)
- photochemical (1)
- photoconductive interlayer (1)
- photoinduzierter Elektronentransfer (1)
- photoluminescence (1)
- photophysics (1)
- photosenitizers (1)
- photosensitization (1)
- phthalocyanines (1)
- pi-pi Wechselwirkungen (1)
- pi-pi- stacking (1)
- platinum complexes (1)
- pol(2-oxazoline) (1)
- polar solution (1)
- polare Lösung (1)
- polarizing optical microscopy (1)
- poly(2-oxazine) (1)
- poly(2-oxazoline)s (1)
- polyamine (1)
- polycarbazole (1)
- polycycles (1)
- polycyclic aromatic hydrocarbon (1)
- polyglycidol (1)
- polymer drug interaction (1)
- polymorphism (1)
- polyoxazolines (1)
- polypyridyl complexes (1)
- porous materials (1)
- porousmaterials (1)
- porphyrins (1)
- position-specific installation of m1A in RNA (1)
- probes (1)
- protease (1)
- protease inhibition (1)
- proteasome inhibitor resistance (1)
- proteasome subunit beta type-5 (PSMB5) (1)
- protein adsorption (1)
- protein crystallography (1)
- protein-ligand-interaction (1)
- proton reduction (1)
- push–pull thienylthiazole (1)
- pyrene (1)
- quantenchemische Berechnungen (1)
- quantum chemical analysis (1)
- quantum optics (1)
- quaterrylene bisimide (1)
- quercetin (1)
- rBAM2-labeled RNA strands (1)
- racemization (1)
- radical (1)
- radical anion (1)
- radical ion pair (1)
- reabsorption (1)
- real-time NMR spectroscopy (1)
- recombinant proteins (1)
- redox (1)
- regulatory T cells (1)
- regulatory T cells (Treg) (1)
- renew-able fuels (1)
- resveratrol (1)
- rhizophoraceae (1)
- rigidification (1)
- ring opening polymerisation (1)
- ring-opening polymerization (1)
- rofumilast (1)
- room-temperature phosphorescence (RTP) (1)
- rotation (1)
- rotational diffusion (1)
- ruthenium catalysts (1)
- ruthenium photosensitizer (1)
- sSupramolecular interaction (1)
- scanning probe microscopy (1)
- seagrass (1)
- seco-NIQs-Naphthylisoindolinone (1)
- selbst organisierende Monolagen (SAM) (1)
- selbstaggregierten (1)
- self-assembled monolayer (SAM) (1)
- semiconducting polymers (1)
- separation techniques (1)
- shape-amphiphiles (1)
- short-range JCT-coupling (1)
- short-range order (1)
- sialic acids (1)
- simulated intestinal fluid (1)
- single crystal structure (1)
- site-specific RNA labeling (1)
- social self‐sorting (1)
- solar cells (1)
- solar fuels (1)
- solid-state NMR (1)
- solid-state NMR spectroscopy (1)
- solid-state emitter (1)
- solid‐state emission (1)
- solubility (1)
- solvatochromism (1)
- solvolysis of (1)
- spacer-controlled self-assembly (1)
- spectroscopic analysis (1)
- spermine (1)
- sphingolipid expansion microscopy (1)
- sphingomyelinase (1)
- sphingosine (1)
- sphingosine 1-phosphate (1)
- sphingosine kinases (1)
- spin relaxation (1)
- squaraine polymer (1)
- stability (1)
- star-shaped compounds (1)
- starazine (1)
- starphene analogue (1)
- stereospecific sythesis (1)
- sterubin (1)
- stokes shift (1)
- structural biology (1)
- structural changes (1)
- structural dynamics (1)
- structural elucidation (1)
- structural restriction (1)
- structure probes (1)
- structure probing (1)
- structure–function relation (1)
- structure–property relation (1)
- subphthalocyanine (1)
- substandard and falsified medicines from the Congo (1)
- sucrose phosphorylase (1)
- superparamagnetism (1)
- superstructure (1)
- supramolecular (1)
- supramolecular assembly (1)
- supramolecular folding (1)
- supramolecular materials (1)
- supramolecular polymerization (1)
- supramolecular polymers (1)
- supramolekular (1)
- supramolekularen Elektronik (1)
- survival (1)
- sustainable energy source (1)
- swallow-tail (1)
- synthesis (1)
- systems (1)
- template catalysis (1)
- tenofovir (1)
- tethya aurantium (1)
- tetracoordinated boron (1)
- tetromycin (1)
- theoretical characterisation (1)
- theoretical investigations (1)
- theoretische Untersuchungen (1)
- theranostics (1)
- thin film transistor (1)
- thin-film transistors (1)
- time-resolved impulsive stimulated raman spectroscopy (1)
- tissue engineering (1)
- topological analysis (1)
- topologische Analyse (1)
- trans-acting 2'-5' adenylyl transferase ribozymes (1)
- transiente Absorption (1)
- transiente Absorptionsspektroskopie (1)
- triaryalmine (1)
- triarylborane (1)
- trinuclear (1)
- triplet sensitization (1)
- two-dimensional nanostructures (1)
- umbrella-shaped mesogens (1)
- upconversion (1)
- upramolecular polymerization process (1)
- vacuum processable (1)
- vesicle (1)
- vibrational coherence (1)
- viral epidemiology (1)
- viral infection (1)
- water oxidation catalysis (1)
- water oxidation reation (1)
- xanthine (1)
- zooxanthellae (1)
- zyklische Peptide (1)
- π-conjugated systems (1)
- π-extension (1)
- π-π-interactions (1)
- π–π Stacking (1)
Institute
- Institut für Organische Chemie (363) (remove)
Schriftenreihe
Sonstige beteiligte Institutionen
- International Max Planck Research School Molecular Biology, University of Göttingen, Germany (2)
- Agricultural Center, BASF SE, 67117 Limburgerhof, Germany (1)
- Center for Nanoscale Microscopy and Molecular Physiology of the Brain (CNMPB), Göttingen, Germany (1)
- Center for Nanosystems Chemistry (1)
- Center for Nanosystems Chemistry (CNC), University of Würzburg (1)
- Center for Nanosystems Chemistry (CNC), Universität Würzburg, Am Hubland, 97074 Würzburg, Germany (1)
- Charles University, Faculty of Mathematics and Physics, Ke Karlovu 5, 121 16 Prague, Czech Republic (1)
- Cluster of Excellence "Multiscale Bioimaging: from Molecular Machines to Networks of Excitable Cells, Göttingen (1)
- Department of Cellular Biochemistry, University Medical Center Göttingen (1)
- Department of Cellular Biochemistry, University Medical Centre Göttingen (1)
EU-Project number / Contract (GA) number
- 682586 (23)
- 787937 (12)
- 693023 (2)
- 101030656 (1)
- 242175-VascuBone (1)
- 242175‐VascuBone (1)
- 643238 (1)
- 654000 (1)
- 669054 (1)
- LaserLab Europe (LLC001917) (1)
The pseudopeptide backbone provided by N-(2-aminoethyl)-glycine oligomers with attached nucleobases has been widely utilized in peptide nucleic acids (PNAs) as DNA mimics. Here we demonstrate the suitability of this backbone for the formation of structurally defined dye stacks. Toward this goal a series of peptide merocyanine (PMC) dye oligomers connected to a N-(2-aminoethyl)-glycine backbone were prepared through peptide synthesis. Our concentration-, temperature- and solvent-dependent UV/Vis absorption studies show that under the control of dipole–dipole interactions, smaller-sized oligomers consisting of one, two or three dyes self-assemble into defined duplex structures containing two up to six chromophores. In contrast, upon further extension of the oligomer, the chosen peptide backbone cannot direct the formation of a defined duplex architecture anymore due to intramolecular aggregation between the dyes. For all aggregate species a moderate aggregation-induced emission enhancement is observed.
Multichromophoric macrocycles and cyclophanes are important supramolecular architectures for the elucidation of interchromophoric interactions originating from precise spatial organization. Herein, by combining an axially chiral binaphthol bisimide (BBI) and a bay-substituted conformationally labile twisted perylene bisimide (PBI) within a cyclophane of well-defined geometry, we report a chiral PBI hetero-cyclophane (BBI-PBI) that shows intramolecular energy and solvent-regulated chirality transfer from the BBI to the PBI subunit. Excellent spectral overlap and spatial arrangement of BBI and PBI lead to efficient excitation energy transfer and subsequent PBI emission with high quantum yield (80–98 %) in various solvents. In contrast, chirality transfer is strongly dependent on the respective solvent as revealed by circular dichroism (CD) spectroscopy. The combination of energy and chirality transfer affords a bright red circularly polarized luminescence (CPL) from the PBI chromophore by excitation of BBI.
Although solid-state nuclear magnetic resonance (NMR) is a versatile analytical tool to study polymorphs and phase transitions of pharmaceutical molecules and products, this work summarizes examples of spontaneous and unexpected (and unwanted) structural rearrangements and phase transitions (amorphous-to-crystalline and crystalline-to-crystalline) under magic angle spinning (MAS) conditions, some of them clearly being due to the pressure experienced by the samples. It is widely known that such changes can often be detected by X-ray powder diffraction (XRPD); here, the capability of solid-state NMR experiments with a special focus on \(^{1}\)H-\(^{13}\)C frequency-switched Lee–Goldburg heteronuclear correlation (FSLG HETCOR)/MAS NMR experiments to detect even subtle changes on a molecular level not observable by conventional 1D NMR experiments or XRPD is presented. Furthermore, it is shown that a polymorphic impurity combined with MAS can induce a crystalline-to-crystalline phase transition. This showcases that solid-state NMR is not always noninvasive and such changes upon MAS should be considered in particular when compounds are studied over longer time spans.
Many dyes suffer from fast non-radiative decay pathways, thereby showing only short-lived excited states and weak photoluminescence. Here we show a pronounced fluorescence enhancement for a weakly fluorescent merocyanine (MC) dye by being co-facially stacked to other dyes in hetero-folda-trimer architectures. By means of fluorescence spectroscopy (lifetime, quantum yield) the fluorescence enhancement was explained by the rigidification of the emitting chromophore in the defined foldamer architecture and the presence of a non-forbidden lowest exciton state in H-coupled hetero-aggregates. This folding-induced fluorescence enhancement (FIFE) for specific sequences of π-stacked dyes points at a viable strategy toward improved fluorophores that relates to the approach used by nature in the green fluorescent protein (GFP).
RNA-catalysed RNA methylation was recently shown to be part of the catalytic repertoire of ribozymes. The methyltransferase ribozyme MTR1 catalyses the site-specific synthesis of 1-methyladenosine (m\(^1\)A) in RNA, using O\(^6\)-methylguanine (m\(^6\)G) as methyl group donor. Here we report the crystal structure of MTR1 at a resolution of 2.8 Å, which reveals a guanine binding site reminiscent of natural guanine riboswitches. The structure represents the postcatalytic state of a split ribozyme in complex with the m1A-containing RNA product and the demethylated cofactor guanine. The structural data suggest the mechanistic involvement of a protonated cytidine in the methyl transfer reaction. A synergistic effect of two 2'-O-methylated ribose residues in the active site results in accelerated methyl group transfer. Supported by these results, it seems plausible that modified nucleotides may have enhanced early RNA catalysis and that metabolite-binding riboswitches may resemble inactivated ribozymes that have lost their catalytic activity during evolution.
RNA-cleaving deoxyribozymes have found broad application as useful tools for RNA biochemistry. However, tedious in vitro selection procedures combined with laborious characterization of individual candidate catalysts hinder the discovery of novel catalytic motifs. Here, we present a new high-throughput sequencing method, DZ-seq, which directly measures activity and localizes cleavage sites of thousands of deoxyribozymes. DZ-seq exploits A-tailing followed by reverse transcription with an oligo-dT primer to capture the cleavage status and sequences of both deoxyribozyme and RNA substrate. We validated DZ-seq by conventional analytical methods and demonstrated its utility by discovery of novel deoxyribozymes that allow for cleaving challenging RNA targets or the analysis of RNA modification states.
The objective of this thesis was the synthesis and characterisation of two linear multifunctional PEG-alternatives for bioconjugation and hydrogel formation: i) Hydrophilic acrylate based copolymers containing peptide binding units and ii) hydrophilic polyether based copolymers containing different functional groups for a physical crosslinking.
In section 3.1 the successful synthesis of water soluble and linear acrylate based polymers containing oligo(ethylene glycol) methyl ether acrylate with either linear thioester functional 2-hydroxyethyl acrylate, thiolactone acrylamide, or vinyl azlactone via the living radical polymerisation technique Reversible Addition Fragmentation Chain Transfer (RAFT) and via free-radical polymerisation is described. The obtained polymers were characterized via GPC, 1H NMR, IR and RAMAN spectroscopy.
The RAFT end group was found to be difficult to remove from these short polymer chains and accordingly underwent the undesired side reaction aminolysis with the peptide during the conjugation studies. Besides that, polymers without RAFT end groups did not show any binding of the peptide at the thioester groups, which can be improved in future by using higher reactant concentrations and higher amount of binding units at the polymer. Polymers containing the highly reactive azlactone group showed a peptide binding of 19 %, but unfortunately this function also underwent spontaneous hydrolysis before the peptide could even be bound. In all cases, oligo(ethylene glycol) methyl ether acrylate was used with a relatively high molecular weight (Mn = 480 Da) was used, which eventually was efficiently shielding the introduced binding units from the added peptide. In future, a shorter monomer with Mn = 300 Da or less or hydrophilic N,N’-dialkyl acrylamide based polymers with less steric hindrance could be used to improve this bioconjugation system. Additionally, the amount of monomers containing peptide binding units in the polymer can be increased and have an additional spacer to achieve higher loading efficiency.
The water soluble, linear and short polyether based polymers, so called polyglycidols, were successfully synthesized and modified as described in section 3.2. The obtained polymers were characterized using GPC, 1H NMR, 31P{1H} NMR, IR, and RAMAN spectroscopy. The allyl groups which were present up to 20 % were used for radical induced thiol-ene chemistry for the introduction of functional groups intended for the formation of the physically crosslinking hydrogels. For the positively charged polymers, first a chloride group had to be introduced for the subsequent nucleophilic substitution with the imidazolium compound. There, degrees of modifications were found in the range 40-97 % due to the repulsion forces of the charges, decreased concentration of active chloride groups, and limiting solution concentrations of the polymer for this reaction. For the negatively charged polymers, first a protected phosphonamide moiety was introduced with a deprotection step afterwards showing 100 % conversion for all reactions. Preliminary hydrogel tests did not show a formation of a three-dimensional network of the polymer chains which was attributed to the short backbone length of the used polymers, but the gained knowledge about the synthetic routes for the modification of the polymer was successfully transferred to longer linear polyglycidols. The same applies to the introduction of electron rich and electron poor compounds showing π-π stacking interactions by UV-vis spectroscopy.
Finally, long linear polyglycidyl ethers were synthesised successfully up to molecular weights of Mn ~ 30 kDa in section 3.3, which was also proven by GPC, 1H NMR, IR and RAMAN spectroscopy. This applies to the homopolymerisation of ethoxyethyl glycidyl ether, allyl glycidyl ether and their copolymerisation with an amount of the allyl compound ~ 10 %. Attempts for higher molecular weights up to 100 kDa showed an uncontrolled polymerisation behaviour and eventually can be improved in future by choosing a lower initiation temperature. Also, the allyl side groups were modified via radical induced thiol-ene chemistry to obtain positively charged functionalities via imidazolium moieties (85 %) and negatively charged functionalities via phosphonamide moieties (100 %) with quantitative degree of modifications. Hydrogel tests have still shown a remaining solution by using long linear polyglycidols carrying negative charges with long/short linear polyglycidols carrying positive charges. The addition of calcium chloride led to a precipitate of the polymer instead of a three-dimensional network formation representing a too high concentration of ions and therefore shielding water molecules with prevention from dissolving the polymer. These systems can be improved by tuning the polymers structure like longer polymer chains, longer spacer between polymer backbone and charge, and higher amount of functional groups.
The objective of the thesis was partly reached containing detailed investigated synthetic routes for the design and characterisation of functional polymers which could be used in future with improvements for bioconjugation and hydrogel formation tests.
The synthesis and characterization of laterally extended azabora[5]‐, ‐[6]‐ and ‐[7]helicenes, assembled from N‐heteroaromatic and dibenzo[g,p]chrysene building blocks is described. Formally, the π‐conjugated systems of the pristine azaborole helicenes were enlarged with a phenanthrene unit leading to compounds with large Stokes shifts, significantly enhanced luminescence quantum yields (Φ) and dissymmetry factors (g\(_{lum}\)). The beneficial effect on optical properties was also observed for helical elongation. The combined contributions of lateral and helical extensions resulted in a compound showing green emission with Φ of 0.31 and |g\(_{lum}\)| of 2.2×10\(^{−3}\), highest within the series of π‐extended azaborahelicenes and superior to emission intensity and chiroptical response of its non‐extended congener. This study shows that helical and lateral extensions of π‐conjugated systems are viable strategies to improve features of azaborole helicenes. In addition, single crystal X‐ray analysis of configurationally stable [6]‐ and ‐[7]helicenes was used to provide insight into their packing arrangements.
Designing highly efficient purely organic phosphors at room temperature remains a challenge because of fast non-radiative processes and slow intersystem crossing (ISC) rates. The majority of them emit only single component phosphorescence. Herein, we have prepared 3 isomers (o, m, p-bromophenyl)-bis(2,6-dimethylphenyl)boranes. Among the 3 isomers (o-, m- and p-BrTAB) synthesized, the ortho-one is the only one which shows dual phosphorescence, with a short lifetime of 0.8 ms and a long lifetime of 234 ms in the crystalline state at room temperature. Based on theoretical calculations and crystal structure analysis of o-BrTAB, the short lifetime component is ascribed to the T\(^M_1\) state of the monomer which emits the higher energy phosphorescence. The long-lived, lower energy phosphorescence emission is attributed to the T\(^A_1\) state of an aggregate, with multiple intermolecular interactions existing in crystalline o-BrTAB inhibiting nonradiative decay and stabilizing the triplet states efficiently.
Boric acid (BA) has been used as a transparent glass matrix for optical materials for over 100 years. However, recently, apparent room-temperature phosphorescence (RTP) from BA (crystalline and powder states) was reported (Zheng et al., Angew. Chem. Int. Ed. 2021, 60, 9500) when irradiated at 280 nm under ambient conditions. We suspected that RTP from their BA sample was induced by an unidentified impurity. Our experimental results show that pure BA synthesized from B(OMe)\(_{3}\) does not luminesce in the solid state when irradiated at 250–400 nm, while commercial BA indeed (faintly) luminesces. Our theoretical calculations show that neither individual BA molecules nor aggregates would absorb light at >175 nm, and we observe no absorption of solid pure BA experimentally at >200 nm. Therefore, it is not possible for pure BA to be excited at >250 nm even in the solid state. Thus, pure BA does not display RTP, whereas trace impurities can induce RTP.
RNA molecules play diverse roles in biological systems. Post-transcriptional RNA modifications and dynamic structures enhance the functional diversity of RNA. A prerequisite for studying their biological significance is the availability of reliable methods for the detection of RNA modifications and structures. Several promising approaches have been developed in the last few decades; however, efficient, and versatile tools are still required to study the dynamic features of RNA. This thesis focuses on the development of nucleic acid catalysts as a tool to address the current needs in studying RNA. The major part of this thesis aimed at the development of deoxyribozymes as a tool for the detection of RNA modifications. Using in vitro selection from a random DNA library, we found deoxyribozymes that are sensitive to N 6 -isopentenyladenosine (i6A), a native tRNA modification and structural analogue of m6A. The in vitro evolution identified three classes of DNA enzymes: AA, AB08, and AC17 DNAzymes that showed distinct response to i6A modification and showed strong discrimination between structural analogues, i.e., m6A and i6A. In the continuation of the project, we attempted to develop RNA-cleaving deoxyribozymes that differentially respond to monomethylated cytidine isomers, 3-methylcytidine (m3C), N4 - methylcytidine (m4C), and 5-methylcytidine (m5C). Several deoxyribozymes were identified from in vitro selection, which are selective for a specific methylated cytidine isomer. The characterization of AL112, AM101, AN05, and AK104 catalysts confirmed the successful evolution of modification-specific and general deoxyribozymes that showed a broad substrate scope. In order to accelerate the DNAzymes discovery, a high throughput sequencing method (DZ-seq) was established that directly quantifies the RNA cleavage activity and cleavage site from deep sequencing data. The libraries contained information about cleavage status, cleavage site and sequence of deoxyribozymes and RNA substrate. The fraction cleaved (FC) data obtained from Dz-seq was validated for a subset of deoxyribozmes using conventional gel based kinetic assay and showed a good linear correlation (R2 = 0.91). Dz-seq possesses a great potential for the discovery of novel deoxyribozymes for the analysis of various RNA modifications in the future. The second objective of the current study was the development of structure-specific RNA labeling ribozymes. Here, we attempted to develop ribozymes that targets RNA of interest by structure-specific interaction rather than base-pairing and focused on a specific RNA G-quadruplex as the target. Two subsequent selection experiments led to the identification of the adenylyltransferase ribozymes AO10.2 and AR9. The partial characterization of these catalysts showed that A010.2 was unable to recognize intact BCL2 structure, but it turned out as the first reported trans-active ribozyme that efficiently labeled uridine in a defined substrate RNA hybridized to the ribozyme. The other ribozyme AR9 was shown to serve as a trans-active, self-labeling ribozyme that catalyzed adenylyl transferase reaction in the presence of the intact BCL2 sequence. Based on these preliminary findings, we envision that AR9 could potentially serve as a reporter RNA by self-labeling in the presence of an RNA G-quadruplex. However, both AO10.2 and AR9 still require more detailed characterization for their potential applications.
A series of bis‐(4’‐pyridylethynyl)arenes (arene=benzene, tetrafluorobenzene, and anthracene) were synthesized and their bis‐N‐methylpyridinium compounds were investigated as a class of π‐extended methyl viologens. Their structures were determined by single crystal X‐ray diffraction, and their photophysical and electrochemical properties (cyclic voltammetry), as well as their interactions with DNA/RNA were investigated. The dications showed bathochromic shifts in emission compared to the neutral compounds. The neutral compounds showed very small Stokes shifts, which are a little larger for the dications. All of the compounds showed very short fluorescence lifetimes (<4 ns). The neutral compound with an anthracene core has a quantum yield of almost unity. With stronger acceptors, the analogous bis‐N‐methylpyridinium compound showed a larger two‐photon absorption cross‐section than its neutral precursor. All of the dicationic compounds interact with DNA/RNA; while the compounds with benzene and tetrafluorobenzene cores bind in the grooves, the one with an anthracene core intercalates as a consequence of its large, condensed aromatic linker moiety, and it aggregates within the polynucleotide when in excess over DNA/RNA. Moreover, all cationic compounds showed highly specific CD spectra upon binding to ds‐DNA/RNA, attributed to the rare case of forcing the planar, achiral molecule into a chiral rotamer, and negligible toxicity toward human cell lines at ≤10 μM concentrations. The anthracene‐analogue exhibited intracellular accumulation within lysosomes, preventing its interaction with cellular DNA/RNA. However, cytotoxicity was evident at 1 μM concentration upon exposure to light, due to singlet oxygen generation within cells. These multi‐faceted features, in combination with its two‐photon absorption properties, suggest it to be a promising lead compound for development of novel light‐activated theranostic agents.
Although a broad variety of classes of bioactive compounds have already been isolated from seaweeds of the genus Dictyota, most different species are still chemically and biologically unexplored. Dictyota species are well-known brown seaweeds belonging to the Dictyotaceae (Phaeophyta). The phytochemical composition within the genus Dictyota has recently received considerable interest, and a vast array of components, including diterpenes, sesquiterepenes, sterols, amino acids, as well as saturated and polyunsaturated fatty acids, have been characterized. The contribution of these valued metabolites to the biological potential, which includes anti-proliferative, anti-microbial, antiviral, antioxidant, anti-inflammatory, and anti-hyperpigmentation activities, of the genus Dictyota has also been explored. Therefore, this is the most comprehensive review, focusing on the published literature relevant to the chemically and pharmacologically diverse biopharmaceuticals isolated from different species of the genus Dictyota during the period from 1976 to now.
Exciton coupling between two or more chromophores in a specific environment is a key mechanism associated with color tuning and modulation of absorption energies. This concept is well exemplified by natural photosynthetic proteins, and can also be achieved in synthetic nucleic acid nanostructures. Here we report the coupling of barbituric acid merocyanine (BAM) nucleoside analogues and show that exciton coupling can be tuned by the double helix conformation. BAM is a nucleobase mimic that was incorporated in the phosphodiester backbone of RNA, DNA and GNA oligonucleotides. Duplexes with different backbone constitutions and geometries afforded different mutual dye arrangements, leading to distinct optical signatures due to competing modes of chromophore organization via electrostatic, dipolar, - stacking and hydrogen-bonding interactions. The realized supramolecular motifs include hydrogenbonded BAM–adenine base pairs and antiparallel as well as rotationally stacked BAM dimer aggregates with distinct absorption, CD and fluorescence properties.
Three novel tetracationic bis‐triarylboranes with 3,4‐ethylenedioxythiophene (EDOT) linkers, and their neutral precursors, showed significant red‐shifted absorption and emission compared to their thiophene‐containing analogues, with one of the EDOT‐derivatives emitting in the NIR region. Only the EDOT‐linked trixylylborane tetracation was stable in aqueous solution, indicating that direct attachment of a thiophene or even 3‐methylthiophene to the boron atom is insufficient to provide hydrolytic stability in aqueous solution. Further comparative analysis of the EDOT‐linked trixylylborane tetracation and its bis‐thiophene analogue revealed efficient photo‐induced singlet oxygen production, with the consequent biological implications. Thus, both analogues bind strongly to ds‐DNA and BSA, very efficiently enter living human cells, accumulate in several different cytoplasmic organelles with no toxic effect but, under intense visible light irradiation, they exhibit almost instantaneous and very strong cytotoxic effects, presumably attributed to singlet oxygen production. Thus, both compounds are intriguing theranostic agents, whose intracellular and probably intra‐tissue location can be monitored by strong fluorescence, allowing switching on of the strong bioactivity by well‐focused visible light.
Utilizing Pd‐catalyzed [5+2] annulation a series of heptagon‐extended corannulenes could be synthesized from a borinic acid precursor furnished by C−H borylation strategy. Single‐crystal X‐ray analysis revealed the presence of two conformational enantiomers crystallizing in a racemic mixture. Through their embedded five‐ and seven‐membered rings these polycyclic aromatic hydrocarbons (PAHs) exhibit both negative and positive curvature and UV/Vis/NIR absorption spectroscopy as well as cyclic voltammetry experiments provided insights into the influence of larger flanking aromatic systems and electron‐donating substituents encompassing the heptagonal ring. Through [5+2] annulation of acenaphthylene an azulene‐containing PAH with intriguing optoelectronical properties including a very small bandgap and absorption over the whole visible spectrum could be obtained. Theoretical calculations were employed to elucidate the long‐wavelength absorption and aromaticity.
Arene‐fluoroarene interactions offer outstanding possibilities for engineering of supramolecular systems, including nucleic acids. Here, we implement the tolane‐perfluorotolane interaction as base pair replacement in DNA. Tolane (THH) and perfluorotolane (TFF) moieties were connected to acyclic backbone units, comprising glycol nucleic acid (GNA) or butyl nucleic acid (BuNA) building blocks, that were incorporated via phosphoramidite chemistry at opposite positions in a DNA duplex. Thermodynamic analyses by UV thermal melting revealed a compelling stabilization by THH/TFF heteropairs only when connected to the BuNA backbone, but not with the shorter GNA linker. Detailed NMR studies confirmed the preference of the BuNA backbone for enhanced polar π‐stacking. This work defines how orthogonal supramolecular interactions can be tailored by small constitutional changes in the DNA backbone, and it inspires future studies of arene‐fluoroarene‐programmed assembly of DNA.
Water‐soluble multinuclear complexes based on ruthenium 2,2′‐bipyridine‐6,6′‐dicarboxylate (bda) and ditopic bipyridine linker units are investigated in three‐component visible light‐driven water oxidation catalysis. Systematic studies revealed a strong enhancement of the catalytic efficiency in the absence of organic co‐solvents and with increasing oligomer length. In‐depth kinetic and morphological investigations suggest that the enhanced performance is induced by the self‐assembly of linear Ru(bda) oligomers into aggregated superstructures. The obtained turnover frequencies (up to 14.9 s\(^{−1}\)) and turnover numbers (more than 1000) per ruthenium center are the highest reported so far for Ru(bda)‐based photocatalytic water oxidation systems.
Dye–dye interactions affect the optical and electronic properties in organic semiconductor films of light harvesting and detecting optoelectronic applications. This review elaborates how to tailor these properties of organic semiconductors for organic solar cells (OSCs) and organic photodiodes (OPDs). While these devices rely on similar materials, the demands for their optical properties are rather different, the former requiring a broad absorption spectrum spanning from the UV over visible up to the near‐infrared region and the latter an ultra‐narrow absorption spectrum at a specific, targeted wavelength. In order to design organic semiconductors satisfying these demands, fundamental insights on the relationship of optical properties are provided depending on molecular packing arrangement and the resultant electronic coupling thereof. Based on recent advancements in the theoretical understanding of intermolecular interactions between slip‐stacked dyes, distinguishing classical J‐aggregates with predominant long‐range Coulomb coupling from charge transfer (CT)‐mediated or ‐coupled J‐aggregates, whose red‐shifts are primarily governed by short‐range orbital interactions, is suggested. Within this framework, the relationship between aggregate structure and functional properties of representative classes of dye aggregates is analyzed for the most advanced OSCs and wavelength‐selective OPDs, providing important insights into the rational design of thin‐film optoelectronic materials.
Paclitaxel (PTX) is one of the leading drugs against breast and ovarian cancer. Due to its low solubility, treatment of the patients with this drug requires a very well-suited combination with a soluble pharmaceutical excipient to increase the bioavailability and reduce the strong side ef-fects. One efficient way to achieve this in the future could be the incorporation of PTX into pol-ymeric micelles composed of poly(2-oxazoline) based triblock copolymers (POL) which ena-bles PTX loadings of up to 50 wt.%. However, structural information at an atomic level and thus the knowledge of interaction sites within these promising but complex PTX-POL formula-tions were not yet available. Such results could support the future development of improved excipients for PTX and suitable excipients for other pharmaceutical drugs. Therefore, a solid-state MAS NMR investigation of these amorphous formulations with different POL-PTX com-positions was performed in this thesis as this gives insights of the local structure at an atomic level in its solid state. NMR in solution showed very broad 13C signals of PTX for this system due to the reduced mobility of the incorporated drug which exclude this as an analytical meth-od.
In a first study, crystalline PTX was structurally characterized by solid-state NMR as no com-plete 13C spectrum assignment and no 1H NMR data existed for the solid state. In addition, the asymmetric unit of the PTX crystal structure consists of two molecules (Z'=2) that can only be investigated in its solid state. As crystalline PTX in total has about 100 different 13C and 1H chemical shifts with very small differences due to Z’=2, and furthermore, its unit cell consisting of more than 900 atoms, accompanying GIPAW (CASTEP) calculations were required for NMR signal assignments. These calculations were performed using the first three available purely hydrous and anhydrous PTX structures, which were determined by XRD and published by Vel-la-Zarb et al. in 2013. Within this thesis, is was discovered that two investigated batches of commercially available PTX from the same supplier both contained an identical and so far un-known PTX phase that was elucidated by PXRD as well as solid-state NMR data. One of the two batches consists of an additional phase that was shown to be very similar to a known hy-drated phase published in 2013.[1] By heating the batch with the mixture of the two phases un-der vacuum, it is transformed completely to the new dry phase occurring in both PTX batches. Since the drying conditions to obtain anhydrous PTX in-situ on the PXRD setup described by Vella-Zarb et. al.[1] were much softer than ours, we identify our dry phase as a relaxed version of their published anhydrate structure. The PXRD data of the new anhydrate phase was trans-ferred into a new structural model, which currently undergoes geometry optimization. Based on solid-state NMR data at MAS spinning frequencies up to 100 kHz, a 13C and a partial 1H signal assignment for the new anhydrous structure were achieved. These results provided sufficient structural information for further investigations of the micellar POL-PTX system.
In a second study, the applicability and benefit of two-dimensional solid-state 14N-1H HMQC MAS NMR spectra for the characterization of amorphous POL-PTX formulations was investi-gated. The mentioned technique has never been applied to a system of similar complexity be-fore and was chosen because around 84% of the small-molecule drugs contain at least one nitrogen atom. In addition, the number of nitrogen atoms in both POL and PTX is much smaller than the number of carbons or hydrogens, which significantly reduces the spectral complexity. 14N has a natural abundance of 99.6% but leads to quadrupolar broadening due to its nuclear spin quantum number I = 1. While this is usually undesirable due to broadening in the resulting 1D 14N NMR spectra, this effect is explicitly used in the 2D 14N-1H HMQC MAS experiment. The indirect 14N measurement can avoid the broadening while maintaining the advantage of the high natural abundance and making use of the much more dispersed signals due to the additional quadrupolar shifts as compared to 15N.
This measurement method could be successfully applied to the complex amorphous POL-PTX mixtures. With increasing PTX loading of the formulations, additional peaks arise as spatial proximities of the amide nitrogens of POL to NH or OH groups of PTX. In addition, the 14N quadrupolar shift of these amide nitrogens decreases with increasing PTX content indicating a more symmetric nitrogen environment. The latter can be explained by a transformation of the trigonal planar coordination of the tertiary amide nitrogen atoms in pure POL towards a more tetrahedral environment upon PTX loading induced by the formation of hydrogen bonds with NH/OH groups of PTX.
In the third and last project, the results of the two abovementioned studies were used and ex-tended by solid state 13C and two-dimensional 1H-13C as well as 1H-1H MAS NMR data with the aim to derive a structural model of the POL-PTX formulations at an atomic level. The knowledge of the NMR signal assignments for crystalline PTX was transferred to amorphous PTX (present in the micelles of the formulations). The 13C solid-state NMR signals were evalu-ated concerning changes in chemical shifts and full widths of half maximum (FWHM) for the different PTX loadings. In this way, the required information about possible interaction sites at an atomic level becomes available. Due to the complexity of these systems, such proximities often cannot be assigned to special atoms, but more to groups of atoms, as the individual de-velopments of line widths and line shifts are mutually dependent. An advantageous aspect for this analysis was that pure POL already forms unloaded micelles. The evaluation of the data showed that the terminal phenyl groups of PTX seem to be most involved in the interaction by the establishment of the micelle for lowest drug loading and that they are likely to react to the change in the amount of PTX molecules as well. For the incorporation of PTX in the micelles, the following model could be obtained: For lowest drug loading, PTX is mainly located in the inner part of the micelles. Upon further increasing of the loading, it progressively extends to-ward the micellar shell. This could be well shown by the increasing interactions of the hydro-phobic butyl chain of POL and PTX, proceeding in the direction of the polymer backbone with rising drug load. Furthermore, due to the size of PTX and the hydrodynamic radius of the mi-celles, even at the lowest loading, the PTX molecules partially reach the core-shell interface of the micelle. Upon increasing the drug loading, the surface coverage with PTX clusters increas-es based on the obtained model approach. The latter result is supported by DLS and SANS data of this system. The abovementioned results of the 14N-1H HMQC MAS investigation of the POL-PTX formulations support the outlined model.
As an outlook, the currently running geometry optimization and subsequently scheduled calcu-lation of the chemical shieldings of the newly obtained anhydrous PTX crystal structure can further improve the solid-state NMR characterization through determination of further spatial proximities among protons using the existing 2D 1H(DQ)-1H(SQ) solid-state MAS NMR spec-trum at 100 kHz rotor spinning frequency. The 2D 14N-1H HMQC MAS NMR experiments were shown to have great potential as a technique for the analysis of other disordered and amor-phous drug delivery systems as well. The results of this thesis should be subsequently applied to other micellar systems with varying pharmaceutical excipients or active ingredients with the goal of systematically achieving higher drug loadings (e.g., for the investigated PTX, the similar drug docetaxel or even different natural products). Additionally, it is planned to transfer the knowledge to another complex polymer system containing poly(amino acids) which offers hy-drogen bonding donor sites for additional intermolecular interactions. Currently, the POL-PTX system is investigated by further SANS studies that may provide another puzzle piece to the model as complementary measurement method in the future. In addition, the use of MD simu-lations might be considered in the future. This would allow a computerized linking of the differ-ent pieces of information with the aim to determine the most likely model.