Category: chemistry – Page 338
Determining the quantum mechanical behavior of many interacting particles is essential to solving important problems in a variety of scientific fields, including physics, chemistry and mathematics. For instance, in order to describe the electronic structure of materials and molecules, researchers first need to find the ground, excited and thermal states of the Born-Oppenheimer Hamiltonian approximation. In quantum chemistry, the Born-Oppenheimer approximation is the assumption that electronic and nuclear motions in molecules can be separated.
A variety of other scientific problems also require the accurate computation of Hamiltonian ground, excited and thermal states on a quantum computer. An important example are combinatorial optimization problems, which can be reduced to finding the ground state of suitable spin systems.
So far, techniques for computing Hamiltonian eigenstates on quantum computers have been primarily based on phase estimation or variational algorithms, which are designed to approximate the lowest energy eigenstate (i.e., ground state) and a number of excited states. Unfortunately, these techniques can have significant disadvantages, which make them impracticable for solving many scientific problems.
The coldest chemical reaction in the known universe took place in what appears to be a chaotic mess of lasers. The appearance deceives: Deep within that painstakingly organized chaos, in temperatures millions of times colder than interstellar space, Kang-Kuen Ni achieved a feat of precision. Forcing two ultracold molecules to meet and react, she broke and formed the coldest bonds in the history of molecular couplings.
“Probably in the next couple of years, we are the only lab that can do this,” said Ming-Guang Hu, a postdoctoral scholar in the Ni lab and first author on their paper published today in Science. Five years ago, Ni, the Morris Kahn Associate Professor of Chemistry and Chemical Biology and a pioneer of ultracold chemistry, set out to build a new apparatus that could achieve the lowest temperature chemical reactions of any currently available technology. But they couldn’t be sure their intricate engineering would work.
Now, they not only performed the coldest reaction yet, they discovered their new apparatus can do something even they did not predict. In such intense cold—500 nanokelvin or just a few millionths of a degree above absolute zero—their molecules slowed to such glacial speeds, Ni and her team could see something no one has been able to see before: the moment when two molecules meet to form two new molecules. In essence, they captured a chemical reaction in its most critical and elusive act.
Last week, the BBC reported on the plight of axolotls in Mexico City, which are under threat of extinction. [1] The risk to these creatures is made doubly concerning when you consider their incredible ability to regenerate and apparent immunity to cancer, which is of great interest to scientists and companies working in the Longevity sector. One such company is Bioquark, a Philadelphia-based life sciences company that is working on the development of combinatorial biologics for the rejuvenation and repair of human organs and tissues. Among its clinical plans, it lists the development of therapeutic products for cancer reversion, organ repair and regeneration, and even brain death resuscitation. Nothing major then!
Bioquark has developed a novel combinatorial biologic called BQ-A, which mimics the regulatory biochemistry of the living human egg (oocyte) immediately following fertilization. While ooplasm-based reprogramming has been studied in experiments such as in-vitro fertilization and cloning, Bioquark claims it is the first company to apply it to somatic tissue in mammals.
We spoke with Bioquark’s CEO, Ira Pastor, a 30-year veteran of the pharmaceutical industry, to find out more about the company and where it’s headed.
Scientists have discovered a way to manipulate the body’s own immune response to boost tissue repair. The findings, published in Current Biology today, reveal a new network of protective factors to shield cells against damage. This discovery, made by University of Bristol researchers, could significantly benefit patients undergoing surgery by speeding recovery times and lowering the risk of complication.
When a tissue is damaged, (either accidentally or through surgery), the body quickly recruits immune cells to the injury site where they fight infection by engulfing and killing invading pathogens, through the release of toxic factors (such as unstable molecules containing oxygen known as “reactive oxygen species” e.g. peroxides). However, these bactericidal products are also highly toxic to the host tissue and can disrupt the repair process. To counteract these harmful effects the repairing tissue activates powerful protective machinery to “shield” itself from the damage.
Now, researchers from Bristol’s School of Biochemistry studying tissue repair, have mapped the exact identities of these protective pathways and identified how to stimulate this process in naïve tissues.
Artificial intelligence can be used to predict molecular wave functions and the electronic properties of molecules. This innovative AI method developed by a team of researchers at the University of Warwick, the Technical University of Berlin and the University of Luxembourg, could be used to speed-up the design of drug molecules or new materials.
Artificial intelligence and machine learning algorithms are routinely used to predict our purchasing behavior and to recognize our faces or handwriting. In scientific research, Artificial Intelligence is establishing itself as a crucial tool for scientific discovery.
In chemistry, AI has become instrumental in predicting the outcomes of experiments or simulations of quantum systems. To achieve this, AI needs to be able to systematically incorporate the fundamental laws of physics.
Polymorphism is a remarkable concept in chemistry, materials science, computer science, and biology. Whether it is the ability of a material to exist in two or more crystal structures, a single interface connecting to two different entities, or alternative phenotypes of an organism, polymorphism determines function and properties. In materials science, polymorphism can be found in an impressively wide range of materials, including crystalline materials, minerals, metals, alloys, and polymers. Here we report on polymorphism in a liquid crystal. A bent-core liquid crystal with a single chiral side chain forms two structurally and morphologically significantly different liquid crystal phases solely depending on the cooling rate from the isotropic liquid state. On slow cooling, the thermodynamically more stable oblique columnar phase forms, and on rapid cooling, a not heretofore reported helical microfilament phase. Since structure determines function and properties, the structural color for these phases also differs.
Light is the fastest way to distinguish right- and left-handed chiral molecules, which has important applications in chemistry and biology. However, ordinary light only weakly senses molecular handedness. Researchers from the Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy (MBI), the Israel Institute of Technology (Technion) and Technische Universitaet Berlin (TU Berlin) now report a method to generate and characterize synthetic chiral light, which identifies molecules’ handedness exceptionally distinctly. The results of their joint work have just appeared in Nature Photonics.
Like left and right hands, some molecules in nature have mirror twins. However, while these twin molecules may look similar, some of their properties can be very different. For instance, the handedness—or chirality—of molecules plays an essential role in chemistry, biology, and drug development. While one type of a molecule can cure a disease, its mirror twin—or enantiomer—may be toxic or even lethal.
It is extremely hard to tell opposite chiral molecules apart because they look identical and behave identically unless they interact with another chiral object. Light has long been used to detect chirality—oscillations of the electromagnetic field draw a chiral helix in space along the light propagation direction. Depending on whether the helix twirls clockwise or counterclockwise, the light wave is either right- or left-handed. However, the helix pitch, set by the light wavelength, is about 1000 times bigger than the size of a molecule. So the light helix is a gigantic circle compared to the tiny molecules, which hardly react to its chirality.