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    Home > Review of chemical research progress in 2017 by C & en

    Review of chemical research progress in 2017 by C & en

    • Last Update: 2017-12-27
    • Source: Internet
    • Author: User
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    Computer assisted chemical research IBM researchers used seven qubits of credit in this processor: IBM has been promoting science for decades By this year, machine learning and quantum computing have made remarkable progress Not only do researchers use this advanced technology to solve basic scientific problems, but chemical companies, including BASF and Dow Chemical, also form alliances with computer giants such as IBM and HP to apply computer technology to business development Machine learning refers to the algorithm that can make the computer go beyond the strict programming instructions and learn, execute decisions and predict on the basis of a large number of data Voice and face recognition programs, spam filtering, and weather forecasting all use these algorithms In chemistry, David Baker of Washington University and his colleagues reported using this technique to determine the three-dimensional conformations of 600 protein families with unknown structures (Science 2017, DOI: 10.1126 / science Aah4043) An international team used the method to let computers predict the smell of compounds based on their molecular structure This progress has expanded our understanding of smell and is likely to benefit the fragrance industry (Science 2017, DOI: 10.1126 / science Aal2014) Machine learning has also made progress in computing the electronic structure of molecules, using this technology can bypass the most computationally intensive part of DFT (NAT Commun 2017, DOI: 10.1038 / s41467-017-00839-3) Four protein structures discovered by machine learning credit: AAAs / science when some researchers tried to promote the chemical prediction ability of traditional computers, scientists from IBM, Microsoft and Google focused on quantum computers Unlike traditional machines that use transistors and memory cells to deal with 1 and 0, quantum computers use magnetic components or other types of two state quantum systems (qubits) to represent the wave function as the superposition of electronic energy and state Traditional computers are not enough to calculate the properties of complex molecules Quantum computers are expected to solve this problem IBM researchers calculated the ground state energy of lithium hydride and beryllium hydride using a 7-qubit quantum computer, which is a milestone in the field of quantum computing (nature 2017, DOI: 10.1038 / nature23879) Electrosynthesis charges chemists with the electrochemistry experiment of waldvogel laboratory credit: Verband der Chemische industrie / Gerald Fuest mentions electrochemistry The first thought may be battery and solar cell, or industrial processes such as electroplating, in which organic synthesis usually does not participate Although electrochemical synthesis tends to be mature, chemists believe that this method is too cumbersome and expensive to be used in conventional organic reactions, such as C-H activation or aromatics cross coupling Since 2015, this technology has developed rapidly and is fully presented this year When the current is used as an alternative reagent, toxic or dangerous reagents can be avoided in organic reactions without the use of protective bases and catalysts In addition, electrosynthesis can reduce or eliminate the need for heating and cooling reaction vessels, thus reducing energy consumption Organic synthetic chemists need to create increasingly complex molecules, and the advantages of electrosynthesis can help them synthesize target molecules in a greener, more sustainable, safer and more economical way In addition to promoting the development of new electrochemical reactions, researchers have also helped develop user-friendly instruments for organic synthesis Last year, Siegfried R waldvogel of the University of Mainz in Germany helped launch Eka's lab scale continuous current electrosynthesis system, electasyn This year, Phil S Baran of Scripps Institute helped IKA launch electrasyn 2.0 Baran's team is trying to prepare complex terpene natural products by electrosynthesis "This is incredibly effective research, and the re emergence of electrochemistry deserves our attention." Baran said Modified and newly discovered enzymes lead to chemical innovation enzymes which play a key role in chemical research and chemical and food processing industries According to a search on the C & en website, there are about 200 articles about enzyme reported this year, and there are about four articles in each issue This covers a number of cutting-edge discoveries, such as the search for enzymes that catalyze synthesis and artificial evolution for demanding organic reactions Next, C & en summarizes the three most distinctive enzymes The balskus group at Harvard University has found an enzyme that cyanobacteria use to synthesize aromatic natural products, cylindrocycleophanes In 1877, Charles Friedel and James crafts found that Lewis acid can connect alkyl groups of haloalkanes to aromatic rings Balskus and colleagues show that cyanobacteria have long developed such reactions (NAT Chem Biol 2017, DOI: 10.1038/nchembio.2421) They found that an enzyme called cylk can modify aromatic rings with alkyl groups of haloalkanes Another enzyme, CYLC, is responsible for producing the chloroalkanes needed for the cylk reaction Researchers are exploring the crystal structure of cylk and hope to design enzymes that can be applied to a wider range of substrates Credit: Science transforms end olefins into aldehydes by anti maleic olefin oxidation Chemists usually use non enantioselective and non productive methods Frances h Arnold of Caltech and his colleagues developed a more effective antimasolase using a directed evolution technique Directed evolution is an iterative process of protein mutation and screening, which endows enzyme with non natural ability Arnold's team identified 12 amino acid substitutions (red circles) to convert traditional olefin oxidase P450 La1 into stereoselective anti martensitic catalyst AMOX (Science 2017, DOI: 10.1126 / science Aao1482) The productivity of AMOX (black, blue and red rod structure) is almost 400 times that of commercial catalysts According to the team led by Fred beisson of French Atomic Energy and alternative energy commission of enlightenment discovery credit: Science, microalgae have a special enzyme that can decarboxylate fatty acids into alkanes or alkenes by light (Science 2017, DOI: 10.1126 / science Aan6349) By purifying the enzyme in microalgae, the researchers identified the fatty acid photosensitive decarboxylase This enzyme has unprecedented activity: it can convert fatty acids into 14-18 alkanes or alkenes The new photosensitive enzyme can be used to produce biomass hydrocarbons Progress of mobile chemistry industry credit: Eli Lilly & Co in recent years, mobile chemistry has developed steadily By 2017, continuous chemical synthesis methods (replacing flasks and stir bars with tube and T-joint mixers) have made remarkable progress in the pharmaceutical industry In a typical case, Lilly chemists used safer, faster and cheaper continuous flow chemistry to synthesize the chemotherapeutic candidate prexasertib carboxylate monohydrate Lilly's team established an eight step continuous process to prepare the compound Hydrazine is used in the first step, which is very dangerous in batch process It is worth mentioning that Lilly chemists associate the last stage of continuous production process with quality control system in the synthesis process, so as to meet the cGMPs standard required by drug production regulatory agency (Science 2017, DOI: 10.1126 / science Aan0745) Credit: C & en mobile chemistry is not only welcomed by Lilly, but also favored by other pharmaceutical and chemical companies Snapdragon, a mobile chemical company, has cooperated with Pfizer to optimize the preparation route of high activity reagent lithium propylene and use it in the synthesis of important pharmaceutical intermediates Snapdragon has also signed an agreement with Johnson Matthey, the world's leading bulk pharmaceutical chemicals supplier, to conduct research on mobile chemistry for drug production Credit: C & en small machine, great progress since the 1980s, chemists have been creating molecular machines - single molecules with motor, rotor and even micro car functions In 2016, three pioneers of molecular machines won the Nobel Prize in chemistry This year, the molecular machine hot spot continued, making headlines for many times, including the combination of horsepower enhanced motor rotors, polymer pulleys to improve battery performance, and the world's first nano car competition Six teams participated in the world's first nano car competition credit: Tu Dresden / Mana NIMS / Ohio University / University of Basel / Rice University / g.ravene/p abeilhouse / cemes-cnrs CNRS / C & en the James M tour leading team of Rice University in the United States transformed the UV activated molecular motor into a small drill that can penetrate the cell membrane Getting enough motor drills into the cancer cells can destroy the integrity of the cells in a few minutes Unlike chemotherapy, cancer cells are not resistant to molecular motors, tour said (nature 2017, DOI: 10.1038 / nature23657) Credit:Tour group/Rice University David A Leigh and colleagues at the University of Manchester in England have constructed a programmable molecular machine that produces four different products by adding thiol and olefin asymmetrically to replace alpha, beta unsaturated aldehyde substrates The machine has an arm and a rotary switch, and the pH can be changed to move between the R stereochemical site and the s stereochemical site (nature 2017, DOI: 10.1038 / nature23677) Credit: nature Ben L Feringa of the University of Groningen in the Netherlands improves the complexity of the classic photo activated molecular motor Thanks to the design of complex stereochemistry, the two components can rotate synchronously (Science 2017, DOI: 10.1126 / science Aam8808) Credit: Ali Coskun and Jang wook Choi, leaders of the adapted from science Korean Academy of science and technology, developed a polymer, which can be added to the silicon anode to reduce the stress of the anode during charging and discharging, thus extending the electrode life The key to the success of the polymer is that the linear polymer polyacrylic acid is covalently linked to the polyrotaxane network containing the mechanical bond In the process of battery charging, as the silicon anode expands, the polyrotaxane ring, like a pulley system, slides freely along the chain to dissipate the stress (Science 2017, DOI: 10.1126 / science Aal4373) Credit:Adapted from Jang Wook Choi and colleagues
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