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CSI -- on the metabolite's trail

A team of bioinformaticians at the University of Jena has developed a new search engine, 'CSI:FingerID', that significantly simplifies the identification of molecular structures of metabolites. The tool reduces the number of possible compounds from thousands to ten, making it feasible for precise lab tests to identify specific compounds.

SourceFriedrich-Schiller-Universitaet Jena·JournalProceedings of the National Academy of Sciences·DateSep 22, 2015

Quantum model reveals surface structure of water

A new quantum model has been used to determine the molecular structure of water's liquid surface, revealing the intrinsic asymmetry of hydrogen bonds and their role in the surface's molecular orientation. The results accurately capture the properties of liquid water and offer a promising platform for molecular exploration.

SourceNational Physical Laboratory·JournalPhysical Chemistry Chemical Physics·DateApr 20, 2015

Stretch and relax! -- Losing 1 electron switches magnetism on in dichromium

Scientists at Helmholtz-Zentrum Berlin have discovered a surprising high-spin ground state in the cationic cousin of dichromium, Cr2+, using x-ray magnetic circular dichroism. The team found complete localization of all ten valence electrons and maximum spin coupling, transforming an antiferromagnet into ferromagnetic.

Revealing the inner workings of a molecular motor

Researchers from RIKEN Brain Science Institute have made significant strides in understanding the mechanism of dynein's movement along microtubules. The study found that specific amino acid residues on the microtubule structure play a crucial role in activating the dynein motor, enabling directional movement and cargo transport.

SourceRIKEN·JournalJournal of Cell Biology·DateJan 12, 2015

How do our muscles work?

Scientists at Max F. Perutz Laboratories have elucidated the molecular structure and regulation of α-actinin, a crucial muscle protein. The findings provide unprecedented insights into the protein's mode of action and its role in muscle disorders, paving the way for improved treatments.

SourceUniversity of Vienna·JournalCell·DateNov 26, 2014

Manipulating complex molecules by hand

Jülich researchers create a word using 47 molecules by manipulating them with a novel control system. The technique allows for the first time to remove large organic molecules from associated structures and place them elsewhere in a controlled manner.

SourceForschungszentrum Juelich·JournalBeilstein Journal of Nanotechnology·DateNov 6, 2014

Live images from the nano-cosmos

Researchers at DESY's PETRA III have observed the growth of C60 molecules into ultra-smooth layers, revealing fundamental insights into molecular growth processes. The team determined three major energy parameters simultaneously, enabling the potential for selective nanostructure growth.

SourceDeutsches Elektronen-Synchrotron DESY·JournalNature Communications·DateNov 5, 2014

Synthesis produces new antibiotic

Rice University scientists have successfully synthesized a newly discovered natural antibiotic, viridicatumtoxin B, which shows potent activity against Gram-positive bacteria. The simplified synthesis of this compound may pave the way for developing more effective antibiotics against superbugs.

SourceRice University·JournalJournal of the American Chemical Society·DateAug 28, 2014

International science team solve biological mystery

An international team of researchers has solved a long-standing debate over the molecular structure of a vital biological chemical, identifying that the ferryl heme in Compound I is not protonated. However, one amino acid side chain is found to be doubly protonated, raising new questions about oxygen activation mechanisms.

SourceUniversity of Leicester·JournalScience·DateJul 10, 2014

Eumelanin's secrets

Eumelanin, the primary pigment in human skin, hair, and eyes, has been found to absorb a broad spectrum of sunlight due to its unique physical arrangement. Researchers have identified that disorder in the material's structure plays a crucial role in its broadband blocking ability.

SourceMassachusetts Institute of Technology·JournalNature Communications·DateMay 22, 2014

SOFS take to water

Berkeley Lab researchers unveiled the first soluble single-layer 2D honeycomb SOFs with precise control over dimensionality, holding implications for sensing, separation, energy sciences, and biomimetics. The breakthrough uses non-covalent supramolecular interactions to maintain solubility in water.

SourceDOE/Lawrence Berkeley National Laboratory·JournalJournal of the American Chemical Society·DateDec 16, 2013

A question of style

A German-Swiss research team has developed a device that sorts conformers of the same compound based on their shape, allowing for direct measurement of reaction rates. The device exploits the difference in dipole moment between conformers and uses it to separate and react them with calcium ions.

Rice technique expands options for molecular imaging

The technique, dubbed 'multiple-dimensional vibrational spectroscopy,' captures the conformation of small molecules with great accuracy, measuring vibrations and determining angles between bonds. This method could revolutionize the study of catalysis, energy storage, and biomembranes.

SourceRice University·JournalThe Journal of Physical Chemistry·DateAug 15, 2013

VCU physicists discover theoretical possibility of large, hollow magnetic cage molecules

VCU physicists have discovered the theoretical possibility of creating large, hollow magnetic cage molecules that could be used for targeted non-invasive drug delivery. The molecules, which are larger than the original Buckminster fullerene, carry giant magnetic moments and could serve as effective vehicles for delivering drugs to tumors.

SourceVirginia Commonwealth University·JournalThe Journal of Chemical Physics·DateJul 31, 2013

Measuring molecules in their undistorted form

Researchers at Bielefeld University can now determine the three-dimensional structure of gaseous molecules with unprecedented precision. The university's electron diffractometer allows for the analysis of small molecules in their pure state, shedding light on fundamental questions about atomic arrangements.

Breakthrough in chemical crystallography

A research team developed a new protocol for X-ray single-crystal diffraction analysis that doesn't require crystallisation of the target molecule. This method allows for the analysis of scarce marine natural products and characterises many compounds previously impossible to analyze crystallographically.

SourceAcademy of Finland·JournalNature·DateApr 5, 2013