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From chemical graphs to structures

3D configurations of atoms dictate all materials properties. Quantitative predictions of accurate equilibrium structures, 3D coordinates of all atoms, from a chemical graph, a representation of the structural formula, is a challenging and computation.....»»

Category: topSource:  physorgJul 28th, 2021

Researchers create a three-dimensional multi-focus laser for glass micro-sculpting

Glass materials are widely used in optical and optoelectronic devices due to their low cost and excellent mechanical and optical properties. Among them, glass concave/convex linear structures with feature sizes ranging from several micrometers to hun.....»»

Category: topSource:  physorgRelated NewsOct 11th, 2024

How did the building blocks of life arrive on Earth? Zinc fingerprints in meteorites offer clues

Researchers have used the chemical fingerprints of zinc contained in meteorites to determine the origin of volatile elements on Earth. The results suggest that without 'unmelted' asteroids, there may not have been enough of these compounds on Earth f.....»»

Category: topSource:  physorgRelated NewsOct 11th, 2024

Darpa Thinks Walls of Oysters Could Protect Shores Against Hurricanes

The US defense research agency is funding three universities to engineer reef structures that will be colonized by corals and bivalves and absorb the power of future storms......»»

Category: gadgetSource:  wiredRelated NewsOct 11th, 2024

Study unveils cobalt(III) reaction mechanism with nitriles, opening pathways for drug development

A research team led by Professor Jaeheung Cho from the Department of Chemistry at UNIST has published a study in the Journal of the American Chemical Society reporting the reaction mechanism of cobalt(III)-based metal complexes with nitrile substance.....»»

Category: topSource:  physorgRelated NewsOct 11th, 2024

DARPA Thinks Walls of Oysters Could Protect Shores Against Hurricanes

The US defense research agency is funding three universities to engineer reef structures that will be colonized by corals and bivalves and absorb the power of future storms......»»

Category: gadgetSource:  wiredRelated NewsOct 11th, 2024

Expansion technique to image nanoscale structures inside cells makes high-resolution imaging more accessible

A classical way to image nanoscale structures in cells is with high-powered, expensive super-resolution microscopes. As an alternative, MIT researchers have developed a way to expand tissue before imaging it—a technique that allows them to achieve.....»»

Category: topSource:  physorgRelated NewsOct 11th, 2024

A look into "mirror molecules" may lead to new medicines

A University of Texas at Dallas chemist and his colleagues have developed a new chemical reaction that will allow researchers to synthesize selectively the left-handed or right-handed versions of "mirror molecules" found in nature and assess them for.....»»

Category: topSource:  informationweekRelated NewsOct 10th, 2024

Nissan dealership sues after toxic chemical fire forced 3-day closure

Conyers Nissan, located less than 3 miles from a fire that released dangerous levels of chlorine, is seeking class-action status to represent thousands of affected businesses......»»

Category: topSource:  autonewsRelated NewsOct 10th, 2024

Unveiling a new technique for preparing ionic liquid-based membranes for mixture separation

Separating mixtures into their constituent substances is essential in many fields. For example, mixture separation plays a key role in the petrochemical industry, as well as in chemical purification and synthesis plants. Moreover, separating mixtures.....»»

Category: topSource:  pcmagRelated NewsOct 9th, 2024

Making micelles more effective for dye and drug dispersion through well-defined core-shell structures

Micelles are spherical molecular structures usually formed by amphiphilic molecules with block structure, which contain both hydrophilic and hydrophobic parts. The hydrophobic tails of these molecules cluster together to form a core, while the hydrop.....»»

Category: topSource:  pcmagRelated NewsOct 9th, 2024

Reducing energy loss in metal nanostructures by altering geometrical dimensions

Researchers at City University of Hong Kong (CityUHK) have made a discovery that significantly reduces energy loss in metal nanostructures. By altering the geometrical dimensions of these structures, researchers have unlocked their full potential, pa.....»»

Category: topSource:  physorgRelated NewsOct 8th, 2024

New insights into bubble interference could enhance electrode design

Industrial electrochemical processes that use electrodes to produce fuels and chemical products are hampered by the formation of bubbles that block parts of the electrode surface, reducing the area available for the active reaction. Such blockage red.....»»

Category: topSource:  physorgRelated NewsOct 8th, 2024

Efficient way to hydrogenate nitrogen-containing aromatic compounds developed

Successful reduction of the chemical manufacturing industry's environmental impact relies on finding a greener way to make the chemical building blocks for common and massively consumed compounds......»»

Category: topSource:  physorgRelated NewsOct 8th, 2024

AI and quantum mechanics team up to accelerate drug discovery

Drug discovery is much like working a jigsaw puzzle. The chemical compounds behind drug molecules must be shaped to fit with the proteins in our bodies to produce therapeutic effects. That requirement for a meticulous fit means the creation of new dr.....»»

Category: topSource:  physorgRelated NewsOct 7th, 2024

The GALAH fourth data release provides vital data on one million stars in the Milky Way

For the past 10 years, Australia's ARC Center of Excellence in All Sky Astrophysics in 3 Dimensions (ASTRO 3D) has been investigating star formation, chemical enrichment, migration, and mergers in the Milky Way with the Anglo-Australian Telescope (AA.....»»

Category: topSource:  physorgRelated NewsOct 7th, 2024

Using AI to figure out the chemical composition of paints used in classical paintings

A team of chemists and AI researchers at CNR, Istituto di Scienze del Patrimonio Culturale, has developed an AI model capable of determining the chemical composition of the paints used to make classical paintings......»»

Category: topSource:  theglobeandmailRelated NewsOct 5th, 2024

Fused molecules could serve as building blocks for safer lithium-ion batteries

By fusing together a pair of contorted molecular structures, Cornell researchers have created a porous crystal that can uptake lithium-ion electrolytes and transport them smoothly via one-dimensional nanochannels—a design that could lead to safer s.....»»

Category: topSource:  physorgRelated NewsOct 3rd, 2024

Scientists develop novel method for strengthening PVC products

Researchers have developed a way to make one type of plastic material more durable and less likely to shed dangerous microplastics. Their study has identified a secure way to attach chemical additives to polyvinyl chloride (PVC). The work is publishe.....»»

Category: topSource:  physorgRelated NewsOct 3rd, 2024

Developing novel chiral capsule tools for advanced optical technologies

Chirality is an essential property in biology; the molecular building blocks of some of the most important biological structures, including DNA and proteins, are chiral. When a molecule is said to be chiral, it means that it is distinguishable from i.....»»

Category: topSource:  physorgRelated NewsOct 2nd, 2024

Authoritarian populism has weakened democracy in Brazil, says study

The rise of authoritarian populism in Brazil has weakened structures that stabilize democracy—mirroring trends in wider global society and potentially making it harder for the country to strengthen its democracy in future, a new study reveals. The.....»»

Category: topSource:  physorgRelated NewsOct 1st, 2024