Linear alpha-olefins, such as 1-hexene and 1-octene, are important comonomers in the production of linear low-density polyethylene (LLDPE). The conventional method of producing 1-hexene and 1-octene is by oligomerization of ethylene, which yields a wide spectrum of linear alpha-olefins (LAOs). While there exists several processes for producing 1-hexene via ethylene trimerization, a similar route for the selective production of 1-octene has so far been elusive. We now, for the first time, report an unprecedented ethylene tetramerization reaction that produces 1-octene in selectivities exceeding 70%, using an aluminoxane-activated chromium/((R2)2P)2NR1 catalyst system.
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http://dx.doi.org/10.1021/ja045602n | DOI Listing |
J Chem Inf Model
November 2024
Department of Chemical and Geological Sciences (DSCG), University of Modena and Reggio Emilia (UNIMORE), Via Campi 103, 41125 Modena, Italy.
Discovered in 2016, the enzyme PETase, secreted by bacterial 201-F6, has an excellent hydrolytic activity toward poly(ethylene terephthalate) (PET) at room temperature, while it decreases at higher temperatures due to the low thermostability. Many variants have been engineered to overcome this limitation, which hinders industrial application. In this work, we systematically compare PETase wild-type (WT) and four mutants (DuraPETase, ThermoPETase, FastPETase, and HotPETase) using standard molecular dynamics (MD) simulations and unbinding free energy calculations.
View Article and Find Full Text PDFAdv Sci (Weinh)
October 2024
Lehrstuhl für Anorganische Chemie II - Katalysatordesign, Sustainable Chemistry Centre, University of Bayreuth, 95440, Bayreuth, Germany.
α-Olefins are very important bulk and fine chemicals and their synthesis from ethylene, an abundantly available and inexpensive feedstock, is highly attractive. Unfortunately, the direct or on-purpose synthesis of olefins from ethylene is limited to three examples, 1-butene, 1-hexene, and 1-octene, all having a linear structure. Herein, the direct synthesis of 3-methylenepentane and 4-ethylhex-1-ene, branched trimerization, and tetramerization products of ethylene, respectively, is reported.
View Article and Find Full Text PDFDalton Trans
August 2024
Key Laboratory for Advanced Materials and Institute of Fine Chemicals, School of Chemistry & Molecular Engineering, East China University of Science and Technology, 130 Mei Long Road, Shanghai 200237, China.
Inorg Chem
July 2024
College of Chemistry and Chemical Engineering, Nantong University, Nantong 226019, P. R. China.
An interpenetrated indium(III) metal-organic framework (MOF), , with a rarely reported tetrameric indium cluster is developed for streamlining ethylene purification from C2 gases. At 298 K, the adsorption capacities exhibited a complete reversal sequence of CH > CH > CH. Grand canonical Monte Carlo simulation indicated that the corners in a octahedral cage facilitated the CH/CH separation, while the pocket-like aperture situated between adjacent octahedral cages allows for full contact of CH.
View Article and Find Full Text PDFACS Pharmacol Transl Sci
June 2024
Department of Cancer Immunology and Virology, Dana-Farber Cancer Institute, Boston, Massachusetts 02215, United States.
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