Cis-trans photoisomerization is a key process for many processes in biology and materials science, but only careful and time-consuming quantum chemistry methods can describe such reaction in detail. Here, a predictive tool is presented requiring few and affordable calculations, evaluating the efficiency of paradigmatic and modified photoswitches.
Organic photoredox catalysts enable diverse chemical transformations, but predicting their activity is challenging due to complex properties. Now, a two-step data-driven approach is introduced for targeted organic photoredox catalysts synthesis and reaction optimization. Using Bayesian optimization, promising catalysts can be efficiently identified, yielding competitive results with iridium catalysts.
Computational chemistry has remained largely inaccessible to the experimental chemistry community. Here we report the VIRTUAL CHEMIST, a software suite free for academic use, that enables organic chemists without expertise in computational chemistry to perform virtual screening experiments for asymmetric catalyst discovery and design.
An interview with Jason Wright on Prior Technological Species as well as compilations exploring the idea that we may not be the first here on earth or the first forms of life in our solar system.
A new study has revealed the universe is expanding too quickly for our current understanding of physics to explain.
The expansion of the universe is described using a unit of measurement called the Hubble constant. Determining the universe’s expansion rate has been a major point of intrigue since 1929, when Edwin Hubble first discovered that our universe is expanding.
The universe began with the Big Bang, a rapid expansion from an initial state of high density and pressure.
OpenAI chief Sam Altman on Friday said his high-profile artificial intelligence company is “on the wrong side of history” when it comes to being open about how its technology works.
Altman’s comments came during an Ask Me Anything session on Reddit where he fielded questions including whether he would consider publishing OpenAI research.
Altman replied he was in favor of the idea and that it is a topic of discussion inside San Francisco-based OpenAI.
Panzeri et al. use a Trim28 +/D9 mouse model with intrinsic developmental heterogeneity to show that ‘heavy’ and ‘light’ developmental morphs exhibit different timing, type and severity of cancer, linked to a relevant DNA hypomethylation signature.
‘Remuscularisation’ trials boost efforts to treat cardiovascular diseases, the leading cause of death globally.
A solution to injuries from slips and falls may be found underfoot — literally. The footpads of geckos have hydrophilic (water-loving) mechanisms that allow the little animals to easily move over moist, slick surfaces. Researchers in ACS Applied Materials & Interfaces report using silicone rubber enhanced with zirconia nanoparticles to create a gecko-inspired slip-resistant polymer. They say the material, which sticks to ice, could be incorporated into shoe soles to reduce injuries in humans.
Slips and falls account for more than 38 million injuries and 684,000 deaths every year, according to the World Health Organization. And nearly half of these incidents happen on ice. Current anti-slip shoe soles rely on materials such as natural rubber that repel the layer of liquid water that sits atop pavement on a rainy day. On frozen walkways, however, shoe soles with these materials can cause ice to melt because of pressure from the wearer, creating the slippery surface the shoes are supposed to protect against.
Previous studies of gecko feet have led to new ideas for developing more effective anti-slip polymers. Those works found that their footpad’s stickiness comes from hydrophilic capillary-enhanced adhesion: The force of water being drawn into narrow grooves in the footpad creates suction that helps the lizard navigate slippery surfaces. Vipin Richhariya, Ashis Tripathy, Md Julker Nine and colleagues aimed to develop a polymer with capillary-enhanced adhesion that works on rainy sidewalks and frozen surfaces.
A groundbreaking discovery by researchers at the University of California, Los Angeles (UCLA) has challenged a long-standing rule in organic chemistry known as Bredt’s Rule. Established nearly a century ago, this rule stated that certain types of specific organic molecules could not be synthesized due to their instability. UCLA’s team’s findings open the door to new molecular structures that were previously deemed unattainable, potentially revolutionizing fields such as pharmaceutical research.
To grasp the significance of this breakthrough, it’s helpful to first understand some basics of organic chemistry. Organic chemistry primarily deals with molecules made of carbon, such as those found in living organisms. Among these, certain molecules known as olefins or alkenes feature double bonds between two carbon atoms. These double bonds create a specific geometry: the atoms and atom groups attached to them are generally in the same plane, making these structures fairly rigid.
In 1924, German chemist Julius Bredt formulated a rule regarding certain molecular structures called bridged bicyclic molecules. These molecules have a complex structure with multiple rings sharing common atoms, akin to two intertwined bracelet loops. Bredt’s Rule dictates that these molecules cannot have a double bond at a position known as the bridgehead, where the two rings meet. The rule is based on geometric reasons: a double bond at the bridgehead would create such significant structural strain that the molecule would become unstable or even impossible to synthesize.
