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20 Current news about the topic molecular dynamics simulationsrss
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But not to mice
Ordinary pure water has no distinct taste, but how about heavy water - does it taste sweet, as anecdotal evidence going back to 1930s may have indicated? And if yes - why, when D2O is chemically practically identical to H2O, of which it is a stable naturally-occurring isotope? These questions ...
Study results may lead to more accurate medical, biological, and chemical tests
Mass spectrometers (MS) have become essential tools in chemistry and biology laboratories. The ability to quickly identify the chemical components in a sample allows them to take part in a diverse array of experiments, including radiocarbon dating, protein analysis, and monitoring drug ...
Following the motion of a light-responsive molecule
Molecular switches – they are the molecular counterparts of electrical switches and play an important role in many processes in nature. Such molecules can reversibly interconvert between two or more states and thereby control molecular processes. In living organisms, for example, they play a role ...
Researchers at the National Institute of Standards and Technology (NIST) have conducted simulations suggesting that graphene, in addition to its many other useful features, can be modified with special pores to act as a tunable filter or strainer for ions (charged atoms) in a liquid. The concept, ...
Simulating simple logic for nanofluidic computing
Invigorating the idea of computers based on fluids instead of silicon, researchers at the National Institute of Standards and Technology (NIST) have shown how computational logic operations could be performed in a liquid medium by simulating the trapping of ions (charged atoms) in graphene (a ...
A dash of salt can simplify the creation of two-dimensional materials, and thanks to Rice University scientists, the reason is becoming clear. Boris Yakobson, a Rice professor of materials science and nanoengineering and of chemistry, was the go-to expert when a group of labs in Singapore, China, ...
Lithium-sulfur batteries are promising candidates for replacing common lithium-ion batteries in electric vehicles since they are cheaper, weigh less, and can store nearly double the energy for the same mass. However, lithium-sulfur batteries become unstable over time, and their electrodes ...
Lawrence Livermore National Laboratory researchers have dived down to the atomic scale to resolve every "jiggle and wiggle" of atomic motion that underlies metal strength. In a first of its kind series of computer simulations focused on metal tantalum, the team predicted that, on reaching certain ...
Scientists lead effort to make novel 3-D material
Rice University materials scientists have created a light foam from two-dimensional sheets of hexagonal-boron nitride (h-BN) that absorbs carbon dioxide. They discovered freeze-drying h-BN turned it into a macro-scale foam that disintegrates in liquids. But adding a bit of polyvinyl alcohol (PVA) ...
Calcite is one of the most abundant components of the Earth crust, the outer-most layer of the Earth, constituting as the largest carbon reservoir in the global carbon cycle in nature. Thus, large-scale dissolution of calcite would give an enormous impact on the weather, geography, aquatic ...