A5035626923- Luminescence and Fluorescent Materials
- Lipid Membrane Structure and Behavior
- Spectroscopy and Quantum Chemical Studies
- Photoreceptor and optogenetics research
- SARS-CoV-2 and COVID-19 Research
- Crystallization and Solubility Studies
- Bacteriophages and microbial interactions
- Vibrio bacteria research studies
- Mass Spectrometry Techniques and Applications
- Supramolecular Self-Assembly in Materials
- Electrostatics and Colloid Interactions
- Crystallography and molecular interactions
- X-ray Diffraction in Crystallography
- Diffusion and Search Dynamics
- Molecular Sensors and Ion Detection
- Microfluidic and Capillary Electrophoresis Applications
- Enzyme Structure and Function
- Inhalation and Respiratory Drug Delivery
- Machine Learning in Materials Science
- Molecular Junctions and Nanostructures
- SARS-CoV-2 detection and testing
- DNA and Nucleic Acid Chemistry
- Molecular spectroscopy and chirality
- Metabolism and Genetic Disorders
- Influenza Virus Research Studies
Max Planck Institute for Polymer Research
2024
Johannes Gutenberg University Mainz
2020-2022
Scuola Internazionale Superiore di Studi Avanzati
2019-2021
The Abdus Salam International Centre for Theoretical Physics (ICTP)
2019-2021
International Centre for Theoretical Sciences
2020-2021
Significance Intrinsic fluorescence of nonaromatic amino acids is a puzzling phenomenon with an enormous potential in biophotonic applications. The physical origins this effect, however, remain elusive. Herein, we demonstrate how specific hydrogen bond networks can modulate fluorescence. We highlight the key role played by short bonds, present protein structure, on ensuing provide detailed experimental and molecular evidence to explain these unusual optical properties. Our findings should...
Luminescence of biomolecules in the visible range spectrum has been experimentally observed upon aggregation, contrary to their monomeric state. However, physical basis for this phenomenon is still elusive. Here, we systematically examine all coded amino acids provide non-biased empirical insights. Several acids, including non-aromatic, show intense luminescence. Lysine crystals display highest signal, whereas very chemically similar non-coded ornithine does not, implying a role molecular...
The charge state of dielectric surfaces in aqueous environments is fundamental and technological importance. Here, we study the influence dissolved molecular CO2 on charging three chemically different (SiO2, Polystyrene, Perfluorooctadecyltrichlorosilane). We determine their from electrokinetic experiments. compare an ideal, CO2-free reference system to a equilibrated against ambient conditions. In system, salt-dependent decrease magnitudes ζ-potentials follows expectations for constant...
First-passage time statistics of water molecules carries information about their interaction with proteins. This allows reconstruction water’s space-dependent mobility near protein surfaces.
The behavior of water at the surfaces solid amino acid crystals has received little attention despite its importance in nucleation processes.
Abstract Fluorescence in biological systems is usually associated with the presence of aromatic groups. Here, we show that specific hydrogen bonding networks can significantly affect fluorescence employing a combined experimental and computational approach. In particular, reveal single amino acid L-glutamine, by undergoing chemical transformation leading to formation short bond, displays optical properties are enhanced compared L-glutamine itself. Ab initio molecular dynamics simulations...
Abstract Thin films of molecular materials are commonly employed in organic light‐emitting diodes, field‐effect transistors, and solar cells. The morphology these is shown to depend heavily on the processing used during manufacturing, such as vapor co‐deposition. However, prediction processing‐dependent morphologies has until now posed a significant challenge, particularly cases where self‐assembly ordering involved. In this work, method developed based coarse‐graining that capable...
Understanding the physical and chemical properties of viral infections at molecular scales is a major challenge for scientific community more so with outbreak global pandemics. There currently lot effort being placed in identifying molecules that could act as putative drugs or blockers molecules. In this work, we computationally explore importance antiviral activity less studied class molecules, namely surfactants. We employ all-atoms dynamics simulations to study interaction between...
Understanding the physical and chemical properties of viral infection at molecular scales is a major challenge scientific community in fight against Coronavirus (COVID-19) pandemic. We employ all-atoms dynamics simulations to study interaction between receptor-binding domain SARS-CoV-2 spike protein surfactant lecithin water solutions. Our microsecond reveal preferential binding motif (RBM) SARS-CoV-2. Furthermore, we find that lecitin-RBM events are mainly dominated by hydrophobic...
Understanding the physical and chemical properties of viral infection at molecular scales is a major challenge scientific community in fight against Coronavirus (COVID-19) pandemic. We employ all-atoms dynamics simulations to study interaction between receptor-binding domain SARS-CoV-2 spike protein surfactant lecithin water solutions. Our microsecond reveal preferential binding motif (RBM) SARS-CoV-2. Furthermore, we find that lecitin-RBM events are mainly dominated by hydrophobic...
<div><div><div><p>Understanding the physical and chemical properties of viral infections at molecular scales is a major challenge for scientific community more so with outbreak global pandemics. There currently lot effort being placed in identifying molecules that could act as putative drugs or blockers molecules. In this work, we computationally explore importance antiviral activity less studied class molecules, namely surfactants. We employ all-atoms dynamics...
The extent to which biological interfaces affect the dynamics of water plays a key role in exchange matter and chemical interactions that are essential for life. density mobility molecules depend on their proximity can play an important processes such as protein folding aggregation. In this work, we study near glutamine surfaces---a system interest studies neurodegenerative diseases. Combining molecular-dynamics simulations stochastic modelling, how mean first-passage time related statistics...
Abstract It has been experimentally observed that various biomolecules exhibit clear luminescence in the visible upon aggregation, contrary their monomeric state. However, physical basis for this phenomenon is still elusive. Here, we systematically examine all coded amino acids to provide non-biased insights into phenomenon. Several acids, including non-aromatic, show intense luminescence. While lysine crystals display highest signal, very chemically similar non-coded ornithine does not,...
It has been experimentally observed that various biomolecules exhibit clear luminescence in the visible upon aggregation, contrary their monomeric state. However, physical basis for this phenomenon is still elusive. Here, we systematically examine all coded amino acids to provide non-biased insights into phenomenon. Several acids, including non-aromatic, show intense luminescence. While lysine crystals display highest signal, very chemically similar non-coded ornithine does not, implying a...
Understanding the physical and chemical properties of viral infections at molecular scales is a major challenge for scientific community more so with outbreak global pandemics. There currently lot effort being placed in identifying molecules that could act as putative drugs or blockers molecules. In this work, we computationally explore importance antiviral activity less studied class molecules, namely surfactants. We employ all-atoms dynamics simulations to study interaction between...