Results 21 to 30 of about 20,442 (252)
Green Chemistry Letters and Reviews, 2023 In response to environmental concerns and restrictions on isocyanate-based materials, researchers and the coatings industry are focused on developing eco-friendly isocyanate-free polyurethanes.
Karteek Boga +6 more
doaj +1 more source
Instanton rate constant calculations using interpolated potential energy surfaces in non-redundant, rotationally and translationally invariant coordinates [PDF]
J. Comput. Chem. 2019, 40, 866-874, 2020 A trivial flaw in the utilization of artificial neural networks in interpolating chemical potential energy surfaces (PES) whose descriptors are Cartesian coordinates is their dependence on simple translations and rotations of the molecule under consideration.
arxiv +1 more source
Modeling of Isocyanate Synthesis by the Thermal Decomposition of Carbamates
Computation, 2020 The presented work is devoted to isocyanate synthesis by the thermal decomposition of carbamates model. The work describes the existing isocyanate-obtaining processes and the main problems in the study of isocyanate synthesis by the thermal decomposition
Ratmir Dashkin +7 more
doaj +1 more source
Synthesis of urea on the surface of interstellar water ice clusters. A quantum chemical study [PDF]
, 2023 Urea is a prebiotic molecule that has been detected in few sources of the interstellar medium (ISM) and in Murchison meteorite. Being stable against ultraviolet radiation and high-energy electron bombardment, urea is expected to be present in interstellar ices. Theoretical and experimental studies suggest that isocyanic acid (HNCO) and formamide (NH$_2$
arxiv +1 more source
Methyl isocyanate CH3NCO: An important missing organic in current astrochemical networks [PDF]
, 2017 Methyl isocyanate (CH3NCO) is one of the important complex organic molecules detected on the comet 67P/Churyumov-Gerasimenko by Rosetta's Philae lander. It was also detected in hot cores around high-mass protostars along with a recent detection in the solar-type protostar IRAS 16293-2422.
arxiv +1 more source
Kinetic and chemorheological modeling of thermosetting polyurethanes obtained from an epoxidized soybean oil polyol crosslinked with glycerin [PDF]
arXiv, 2022 Thermosetting polyurethanes were obtained using an aromatic isocyanate and a hydrophobic polyol formulation obtained from epoxidized soybean oil (ESO) crosslinked with glycerin. A systematic DSC analysis of the effect of catalyst type, crosslinker concentration, isocyanate index and ESO crystallization on the cure kinetics was conducted.
arxiv
Identification of Methyl Isocyanate and Other Complex Organic Molecules in a Hot Molecular Core, G31.41+0.31 [PDF]
, 2020 G31.41+0.31 is a well known chemically rich hot molecular core (HMC). Using Band 3 observations of Atacama Large Millimeter Array (ALMA), we have analyzed the chemical and physical properties of the source. We have identified methyl isocyanate (CH3NCO), a precursor of prebiotic molecules, towards the source.
arxiv +1 more source
Molecules, 2021 Polyurethane (PU) is a typical product of the reaction between isocyanate and polyol, whose ratio would greatly influence material properties. In this paper, to investigate the influence of isocyanate on PU thermal stability and flammability, three kinds
Lin Jiang, Filippo Berto, Dan Zhang
doaj +1 more source
Re-exploring Molecular Complexity with ALMA (ReMoCA): Interstellar detection of urea [PDF]
A&A 628, A10 (2019), 2019 Urea, NH2C(O)NH2, is a molecule of great importance in organic chemistry and biology. Two searches for urea in the interstellar medium were reported in the past, but neither were conclusive. We want to take advantage of the increased sensitivity and angular resolution provided by ALMA to search for urea toward the hot cores embedded in the high-mass ...
arxiv +1 more source
Cell Membrane Vesicle Camouflaged Artificial Cells
Advanced Functional Materials, EarlyView.Artificial cells camouflaged with a cell membrane vesicle coating are able to assemble into synthetic aggregates that exhibit rudimentary communication capabilities. Additionally, when these artificial cells are equipped with antioxidant capabilities, they are able to protect the intracellular homeostasis in HepG2 cells present in semi‐synthetic ...
Paula De Dios Andres +11 more
wiley +1 more source