Autonomous First-Principles Design of Transition Metal Complexes за авторством Arunachalam, Naveen

“...Designing novel transition metal complexes (TMCs) holds immense potential for advancing sustainability and chemical synthesis. While high-throughput virtual screening (HTVS) workflows and density functional theory (DFT) have emerged as powerful tools for discovering new TMCs, exhaustive design space exploration remains a formidable challenge due to the combinatorial growth of possible complexes with respect to ligands, metals, oxidation states, and ligand field symmetries. ...”
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Opportunities for Machine Learning and Artificial Intelligence to Advance Synthetic Drug Substance Process Development за авторством Griffin, Daniel J, Coley, Connor W, Frank, Scott A, Hawkins, Joel M, Jensen, Klavs F

“...Application of machine learning and artificial intelligence to chemical synthesis of medicinal compounds has long been discussed and has resulted in the development of a number of computer-aided synthesis planning tools by both academic groups and commercial enterprises. ...”
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Toward the automated synthesis of carbohydrates and glycosaminoglycans за авторством Palmacci, Emma Rose, 1976-

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The zero-sum game of pathway optimization: Emerging paradigms for tuning gene expression за авторством Solomon, Kevin, Prather, Kristala L. Jones

“...With increasing price volatility and growing awareness of the lack of sustainability of traditional chemical synthesis, microbial chemical production has been tapped as a promising renewable alternative for the generation of diverse, stereospecific compounds. ...”
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Total synthesis of all (−)-agelastatin alkaloids за авторством Movassaghi, Mohammad, Siegel, Dustin S., Han, Sunkyu

“...Our gram-scale chemical synthesis of agelastatin A was inspired by our hypothesis for the biogenesis of the cyclopentane C-ring and required the development of new transformations including an imidazolone-forming annulation reaction and a carbohydroxylative trapping of imidazolones....”
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Development of linking methods of alcohols and thiols with vinyl azides for bio-application за авторством Hayashi, Hirohito

“...The recent update and applications of vinyl azides in chemical synthesis were described in chapter 1 of the thesis. ...”
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Nanocrystal formation for non-volatile memory application за авторством Chan, Mei Yin

“...The second part of the work explores a solution-based chemical synthesis approach to provide adequate control on the size, density and surface properties of the nanocrystals. ...”
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Design of heterogeneous catalysts for selective hydrogenation of cinnamaldehyde and asymmetric hydrogenation of dimethyl itaconate за авторством Zhen, Guo

“...In addition to the catalytic activity, the selectivity of a hydrogenation catalyst becomes increasingly significant, particularly in fine chemical synthesis industry. In this PhD work, two model hydrogenation reactions—chemo-selective hydrogenation of cinnamaldehyde and asymmetric hydrogenation of dimethyl itaconate were tackled, aiming to find superior heterogeneous hydrogenation catalysts based on the results of many pioneer works. ...”
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Microbial tolerance engineering toward biochemical production: from lignocellulose to products за авторством Ling, Hua, Teo, Weisuong, Chen, Binbin, Leong, Susanna Su Jan, Chang, Matthew Wook

“...Microbial metabolic engineering has been extensively studied for valuable chemicals synthesis, generating numerous laboratory-scale successes, and has demonstrated its potential to serve as a platform that enables large-scale manufacturing of many chemicals that are currently derived via chemical synthesis. ...”
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Two-dimensional CuSe nanosheets with microscale lateral size : synthesis and template-assisted phase transformation за авторством Wu, Xue-Jun, Huang, Xiao, Liu, Juqing, Li, Hai, Yang, Jian, Li, Bing, Huang, Wei, Zhang, Hua

“...The phase-controlled chemical synthesis of semiconducting nanosheets is of particular interest, because their intriguing properties are not only related to their size and shape, but also phase-dependent. ...”
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A study on preparation and characterization of lignin based banana stem with acrylic acid and its effect on water absortion test / Siti Nur Amira Mazlan за авторством Mazlan, Siti Nur Amira

“...Preparation of banana lignin grafted with acrylic acid was done by chemical synthesis. Free radical polymerization method was chosen with hydrogen peroxide as initiator. ...”
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Towards the total synthesis of stambomycin D за авторством Wang, Y

“...This thesis discusses efforts to achieve a chemical synthesis of stambomycin D to fully determine its stereochemistry, including the 'unpredictable' C28 and C50 stereocenters. ...”

Soft chemistry of layered chalcogenides за авторством Hyde, PA

“...Electrochemical studies show continuous filling of the Li sites, and are presented as a comparison to the chemical synthesis.</p> <p>Chapters 5 and 6 of this work explores the manipulation of layered near room temperature ferromagnetic compounds Fe3GeTe2 and Fe5GeTe2, by insertion of Li(NH2) or K into the interlayer spacing. ...”

The antioxidant properties of garlic compounds: allyl cysteine, alliin, allicin, and allyl aisulfide за авторством Chung, Lip Yong

“...This study investigated antioxidant properties of garlic compounds representing the four main chemical classes, alliin, allyl cysteine, allyl disulfide, and allicin, prepared by chemical synthesis or purification. Alliin scavenged superoxide, while allyl cysteine and allyl disulfide did not react with superoxide. ...”

Enzymatic Synthesis of Palm Based Amino Acid Esters за авторством Soo, Ee Lin

“...Such a selective enzymatic route obviates the fastidious regime of substrate activation/protection required in chemical synthesis. Preliminary detection and identification of reaction products were facilitated by thin layer chromatography (TLC) while subsequent quantitative studies on main and interactive effects of parameters governing the reactions were conducted with TLC-photodensitometry. ...”
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Synthesis Of Methyl Acetate By Lipase Catalyzed Esterification за авторством Izudin @ Mohamad, Muhammad Firdaus

“...The beginning of esterification process is mostly by using chemical synthesis with the help of chemical catalyst which often involved binary or tertiary azeotropic mixture which lead to difficulty in producing high purity of product and environmental issues. ...”
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The human gut bacterial genotoxin colibactin alkylates DNA за авторством Ngo, Lizzie, Samson, Leona D., Engelward, Bevin P.

“...Here we combine an untargeted DNA adductomics approach with chemical synthesis to identify and characterize a covalent DNA modification from human cell lines treated with colibactin-producing E. coli. ...”
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Genetically targeted chemical assembly of functional materials in living cells, tissues, and animals за авторством Liu, Jia, Kim, Yoon Seok, Richardson, Claire E, Tom, Ariane, Ramakrishnan, Charu, Birey, Fikri, Katsumata, Toru, Chen, Shucheng, Wang, Cheng, Wang, Xiao, Joubert, Lydia-Marie, Jiang, Yuanwen, Wang, Huiliang, Fenno, Lief E, Tok, Jeffrey B-H, Pașca, Sergiu P, Shen, Kang, Bao, Zhenan, Deisseroth, Karl

“...By integrating engineered-enzyme targeting and polymer chemistry, we genetically instructed specific living neurons to guide chemical synthesis of electrically functional (conductive or insulating) polymers at the plasma membrane. ...”
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Fabrication of 1-dimensional nanowires from genetically modified M13 phage through surfactant-mediated hybridization and the applications in medical diagnosis, energy devices, and... за авторством Lee, Youjin

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Enantioselective total Synthesis of the agelastatin and trigonoliimine alkaloids за авторством Han, Sunkyu, 1982-

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