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Scientists shed light on the mechanism of photoactivation of the orange carotenoid protein

Researchers from Federal Research Centre of Biotechnology RAS deciphered activation mechanism of Orange Carotenoid Protein (OCP) upon exposure to light. The study used structural biology, biochemistry, spectroscopy, and quantum chemistry methods to determine OCP's crystal structure with high spatial resolution.

Hydrogen bonds may be key to airborne dicamba

Washington University researchers found that hydrogen bonding functional groups on amines play a key role in controlling dicamba volatility. The team's study suggests that amines with more hydrogen bonding sites decrease dicamba's ability to become airborne, potentially leading to improved formulations and reduced crop damage.

SourceWashington University in St. Louis·JournalEnvironmental Science & Technology·DateNov 4, 2020

Ultrafast hydrogen bond dynamics of liquid water revealed by THz-induced Kerr effect

A team of scientists used THz pulses to study the intermolecular motion of liquid water, revealing a hydrogen bond harmonic oscillator model and polarizability anisotropy on sub-picosecond scales. The results provide insights into the transient structure of liquid water and its interaction with solvent molecules.

Solution to mysterious behavior of supercooled water

The study reveals that anomalous molecular motions in supercooled water lead to the breakdown of Stokes-Einstein behavior, with regions forming hydrogen bonds heterogeneously. The findings provide insights into the physical implications of this anomaly, which could help explain dynamic behaviors in glassy materials.

SourceOsaka University·JournalScience Advances·DateOct 23, 2017

Folding biomolecule model shows how form dictates function

Researchers developed a theoretical method to calculate biomolecule conformations and demonstrate consistency with experimental results. The model sheds light on the role of amino acid structures in protein functions, revealing potential for extrapolating properties to larger systems.

SourceSpringer·JournalThe European Physical Journal D·DateSep 13, 2017

How selenium compounds might become catalysts

Researchers at Ruhr-University Bochum have discovered that selenium can form bonds similar to those of hydrogen bonds, resulting in accelerated chemical reactions. The team's findings suggest that weaker bonds, such as hydrogens bonds, might be sufficient for activation or catalysis.

SourceRuhr-University Bochum·JournalAngewandte Chemie International Edition·DateJul 13, 2017

How water gets its exceptional properties

Researchers used a new artificial neural network method to simulate the atomic interactions of water molecules, explaining its melting temperature and density maximum. The study provides insights into the unusual properties of water, which cannot be understood solely on the basis of its chemical composition.

SourceRuhr-University Bochum·JournalProceedings of the National Academy of Sciences·DateJul 5, 2016

The role played by solvents at extreme pressure

Researchers from Ruhr-Universität Bochum and Technische Universität Dortmund used infrared spectroscopy and computer simulations to analyze the behavior of TMAO at high pressure. They found that some bands shifted to higher frequencies, while individual peaks changed their form, indicating a change in molecular structure.

SourceRuhr-University Bochum·JournalAngewandte Chemie International Edition·DateJun 30, 2016

Measuring chemistry: Local fingerprint of hydrogen bonding captured in experiments

Scientists have successfully mapped the potential surface of a small molecule, acetone, using resonant inelastic X-ray scattering. This technique provides direct access to the ground state potential energy surface around selected atomic sites, enabling researchers to study hydrogen bonding and its effects on molecular behavior.

Preventing protein unfolding

Researchers at Northwestern University have designed a way to prevent protein unfolding under mechanical stress, which causes devastating neurodegenerative diseases. By attaching polymers to proteins, they can stabilize their shape and prevent them from unfolding even when subjected to large forces.

SourceNorthwestern University·JournalACS Nano·DateFeb 26, 2016

New insights into the supercritical state of water

Researchers used molecular dynamics simulations to study supercritical water, revealing differences in hydrogen bond networks between three states: liquid water at room temperature, high-density and low-density supercritical states. The study aims to interpret experimental results using terahertz spectroscopy.

SourceRuhr-University Bochum·JournalPhysical Review Letters·DateJan 21, 2016

Making carboxyl(ate) friends

Researchers Luigi D'Ascenzo and Pascal Auffinger classify 17 carboxyl(ate) motifs in crystal structures using stereochemical considerations. They provide a systematic naming system and implications for crystal engineering, pharmaceutical research, and biomolecular sciences.

SourceInternational Union of Crystallography·JournalActa Crystallographica Section B·DateApr 14, 2015

Bond and bond alike

Researchers at the University of Copenhagen have made a groundbreaking discovery by bonding positively charged phosphorus atoms with positively charged hydrogen ones. This finding may revolutionize our understanding of how biologically important molecules like DNA and proteins form properly.

SourceUniversity of Copenhagen - Faculty of Science·JournalThe Journal of Physical Chemistry Letters·DateMar 13, 2015

Directly visualizing hydrogen bonds

Chemists have made a breakthrough in visualizing hydrogen bond interactions, which play a key role in biological molecules and pharmaceuticals. Using two-dimensional infrared spectroscopy techniques, researchers directly observed the coordinated vibrations between hydrogen-bonded molecules.

SourceAmerican Institute of Physics·JournalThe Journal of Chemical Physics·DateJul 15, 2014

Halving hydrogen

Researchers have successfully captured a view of a molecular catalyst that converts hydrogen into electricity, confirming previous hypotheses and providing insight into its structure. The study's findings offer potential improvements to hydrogen-powered fuel cells, which could be more expensive but also carbon-neutral.

SourceDOE/Pacific Northwest National Laboratory·JournalAngewandte Chemie International Edition·DateApr 23, 2014

Quantum model helps solve mysteries of water

Researchers developed a quantum Drude oscillator (QDO) that mimics the behavior of real water molecules, producing a realistic liquid with well-developed hydrogen bonds and other properties. The 'bottom up' approach has clear biological applications and potential for simulating other substances.

SourceNational Physical Laboratory·JournalPhysical Review Letters·DateJun 4, 2013

Mainz scientists confirm original tetrahedral model of the molecular structure of water

Researchers at Johannes Gutenberg University Mainz confirmed the original tetrahedral model of water's molecular structure, attributing its unique features to hydrogen bonds between molecules. The findings resolve a controversy that emerged in 2004, which was later attributed to temporary fluctuations in the bond network.

SourceJohannes Gutenberg Universitaet Mainz·JournalNature Communications·DateFeb 12, 2013

A new tool for molecular architects

A team of chemists at the University of Geneva has developed a rare halogen bond that can transport anions across phospholipid bilayer membranes, similar to cellular structures. This discovery has significant implications for medical applications, particularly in treating diseases linked to ion transport issues.

SourceUniversité de Genève·JournalNature Communications·DateJun 20, 2012

Water's surface not all wet

Researchers found that only one-quarter of water molecules at the surface exhibit characteristics of both gas and liquid phases, allowing for new understanding of chemical reactions and atmospheric balance. The study provides a framework for investigating other interfaces, such as those in living cells.

The lock shapes the key

Scientists at TUM have developed a novel method to observe hydrogen bond formation in protein binding processes. Their model system showed that protein recognition takes place via hydrophobic interaction of the S-protein with two spatially clearly defined areas of the unstructured S-peptide.

SourceTechnical University of Munich (TUM)·JournalProceedings of the National Academy of Sciences·DateFeb 15, 2011

Mini-donut catches chloride ions

Researchers have synthesized a donut-shaped molecule that selectively binds to chloride ions, using bridging hydrogen bonds. This breakthrough has the potential to create a new family of anion chelators with high specificity.

SourceWiley·DateMar 13, 2008