Search results for "Moiety"

showing 10 items of 621 documents

Direct experimental observation of mesoscopic fluorous domains in fluorinated room temperature ionic liquids

2017

Fluorinated room temperature ionic liquids (FRTILs) represent a class of solvent media that are attracting great attention due to their IL-specific properties as well as features stemming from their fluorous nature. Medium-to-long fluorous tails constitute a well-defined apolar moiety in the otherwise polar environment. Similarly to the case of alkyl tails, such chains are expected to result in the formation of self-assembled fluorous domains. So far, however, no direct experimental observation has been made of the existence of such structural heterogeneities on the nm scale. We report here the first experimental evidence of the existence of mesoscopic spatial segregation of fluorinated dom…

General Physics and AstronomyNanotechnology02 engineering and technologyNeutron scattering010402 general chemistryLAYER CAPACITOR APPLICATIONS; PERFLUOROALKYL SIDE-CHAINS; ANGLE NEUTRON-SCATTERING; PARTICLE MESH EWALD; PHYSICOCHEMICAL PROPERTIES; FORCE-FIELD; CATION SYMMETRY; STRUCTURAL-CHARACTERIZATION; AMMONIUM TETRAFLUOROBORATE; MOLECULAR SIMULATION01 natural sciencesionic liquidsionic liquids SANS nanostructuration fluorous domains NMR NOEchemistry.chemical_compoundMolecular dynamicsPhysics and Astronomy (all)nanostructurationMoietyPhysical and Theoretical ChemistryAlkylNOEchemistry.chemical_classificationfluorous domainsMesoscopic physicsSANSNuclear magnetic resonance spectroscopy021001 nanoscience & nanotechnologyNMR0104 chemical sciencesfluorinated ionic liquids neutron scattering x-ray diffraction structurechemistryChemical physicsIonic liquidPolar0210 nano-technology
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Theoretical study of the dark photochemistry of 1,3-butadiene via the chemiexcitation of Dewar dioxetane.

2015

Excited-state chemistry is usually ascribed to photo-induced processes, such as fluorescence, phosphorescence, and photochemistry, or to bio-and chemiluminescence, in which light emission originates from a chemical reaction. A third class of excited-state chemistry is, however, possible. It corresponds to the photochemical phenomena produced by chemienergizing certain chemical groups without light - chemiexcitation. By studying Dewar dioxetane, which can be viewed as the combination of 1,2-dioxetane and 1,3-butadiene, we show here how the photo-isomerization channel of 1,3-butadiene can be reached at a later stage after the thermal decomposition of the dioxetane moiety. Multi-reference mult…

General Physics and AstronomyPhotochemistryChemical reactionQuantum chemistryDioxetaneReaction coordinatechemistry.chemical_compoundchemistryExcited stateTeoretisk kemiMoietyLight emissionPhysical and Theoretical ChemistryPhosphorescenceTheoretical ChemistryPhysical chemistry chemical physics : PCCP
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Xylochemical Synthesis of Cytotoxic 2-Aminophenoxazinone-Type Natural Products Through Oxidative Cross Coupling

2019

Today, the total synthesis of natural products mostly relies on the use of petroleum-based starting materials. The commercial availability of building blocks of this type often deflects attention away from lengthy synthetic routes required for the reintroduction of heteroatom substitution patterns lost in the geological process of kerogenesis. Herein, the use of wood-based starting materials, the so-called xylochemicals, for the synthesis of 2-aminophenoxazinone natural products is presented. The inherent heteroatom substitution patterns as well as chemical functionalities were employed and permitted a short and straightforward synthetic strategy. Moreover, a novel and “green” method for co…

Geological processChemical substanceRenewable Energy Sustainability and the EnvironmentChemistryGeneral Chemical EngineeringSubstitution (logic)HeteroatomTotal synthesis02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesCombinatorial chemistryNatural (archaeology)0104 chemical sciencesEnvironmental ChemistryMoiety0210 nano-technologyACS Sustainable Chemistry & Engineering
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A novel ether core lipid with H-shaped C80-isoprenoid hydrocarbon chain from the hyperthermophilic methanogen Methanothermus fervidus.

1998

Abstract A new ether lipid core (designated as FU) was found in Methanothermus fervidus total lipid. Comparison with caldarchaeol showed lower mobility of FU on TLC and smaller molecular weight (m/z 1298) by 2 mass units on FAB-MS. Treatment of FU with HI followed by displacement with silver acetate afforded long chain alcohol acetate (ROAc), which was further saponified with mild alkali to its free alcohol (ROH). ROH is the long chain alcohol prepared from FU. The molecular weights of ROAc and ROH were shown by MS to be 1354 and 1186, respectively. These results suggested that the molecular formula of ROH was C80H162O4, and ROH had four hydroxyl groups, and one molecule of ROH was bound wi…

GlycerolbiologyStereochemistryTerpenesBiophysicsSilver acetateAlcoholEtherGlyceryl EthersEuryarchaeotabiology.organism_classificationBiochemistryEtherLipidsMolecular Weightchemistry.chemical_compoundEndocrinologyCaldarchaeolEther lipidchemistryCovalent bondMethanothermus fervidusMoietyBiochimica et biophysica acta
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ChemInform Abstract: Synthetic O-Glycopeptides as Model Substrates for Glycosyltransferases.

2010

Abstract A new approach to O-glycopeptides of the glucosamine type is described. N-Urethane protected, peracetylated glucosamine is converted into its 1-thio (1-bromo) derivative and used for glycosylation of a variety of protected serine or threonine derivatives as acceptors. The urethane group is easily exchanged for the natural N-acetyl moiety and O-deacetylation is achieved with hydrazine/methanol. The resulting O-GlcNAc derivatives are subjected to an enzymatic galactosylation procedure using β-1,4-galactosyltransferase (EC 2.4.1.22) to furnish O-glycopeptides of the neolactosamine type.

GlycosylationbiologyHydrazineGeneral MedicineCombinatorial chemistrySerinechemistry.chemical_compoundchemistryGlucosamineGlycosyltransferasebiology.proteinMoietyMethanolThreonineChemInform
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Synthesis of phosphono dipeptides, inhibitors of cathepsin C

1998

Abstract Phosphono dipeptides containing glycine, glycylglycine or L-alanine at N-termini and racemic phosphonic acid analogues of aromatic amino acids, as well as racemic alicyclic aminophosphonates, exhibit moderate inhibitory activity towards cathepsin C. This activity is probably due to the binding of the phosphonate moiety by a positively charged part of the enzyme which is complementary to the carboxylate part of the synthetic dipeptide products of the enzymatic reaction.

GlycylglycineDipeptideStereochemistryOrganic Chemistryprotease inhibitorsphosphonic acid analoguesBiochemistryPhosphonateCathepsin Csubstrate analoguesInorganic Chemistrychemistry.chemical_compoundchemistryGlycineAromatic amino acidsMoietyCarboxylate
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Ionic liquids as precatalysts in the highly stereoselective conjugate addition of α,β-unsaturated aldehydes to chalcones.

2014

Imidazolium-based ionic liquids (ILs) serve both as recyclable reaction media and as precatalysts for the N-heterocyclic carbene-catalyzed conjugate addition of α,β-unsaturated aldehydes to chalcones. The reaction produces a broad scope of 1,6-ketoesters incorporating an anti-diphenyl moiety in high yields and with high stereoselectivity. In recycling experiments, the IL can be reused up to five times with retained reactivity and selectivity. Moreover, the 1,6-ketoesters form self-assembled organogels in aliphatic hydrocarbons. The reaction protocol is robust, easily operated, scalable and highly functionalized compounds can be obtained from inexpensive and readily accessible starting mater…

Green chemistryChemistryOrganic ChemistryGeneral ChemistryCatalysischemistry.chemical_compoundIonic liquidMoietyOrganic chemistryReactivity (chemistry)StereoselectivitySelectivityta116ConjugateChemistry (Weinheim an der Bergstrasse, Germany)
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Carbonyl Hypoiodites as Extremely Strong Halogen Bond Donors

2021

Abstract Neutral halogen‐bonded O−I−N complexes were prepared from in situ formed carbonyl hypoiodites and aromatic organic bases. The carbonyl hypoiodites have a strongly polarized iodine atom with larger σ‐holes than any known uncharged halogen bond donor. Modulating the Lewis basicity of the selected pyridine derivatives and carboxylates leads to halogen‐bonded complexes where the classical O−I⋅⋅⋅N halogen bond transforms more into a halogen‐bonded COO−⋅⋅⋅I−N+ ion‐pair (salt) with an asymmetric O−I−N moiety. X‐ray analyses, NMR studies, and calculations reveal the halogen bonding geometries of the carbonyl hypoiodite‐based O−I−N complexes, confirming that in the solid‐state the iodine at…

Halogen Bondingpyridineinorganic chemicalsHalogen bondOrganic basehalogeenitCommunicationSupramolecular chemistryGeneral ChemistryNuclear magnetic resonance spectroscopyGeneral MedicinehypoioditeMedicinal chemistryCatalysisCommunicationssupramolecular chemistrychemistry.chemical_compoundkemialliset sidoksetNMR spectroscopychemistryPyridineTrifluoroacetic acidsupramolekulaarinen kemiaMoietyCarboxylateAngewandte Chemie
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"Recognition of a Novel Type X=N-Hal•••Hal' (X = , S, P; Hal = F, Cl, Br, I) Halogen Bonding"

2013

The chlorination of the eight-membered platinum(II) chelates (PtCl2{NHC(NR2)N(Ph)C(NH)- N(Ph)C(NR2)NH}) (R = Me (1); R2 = (CH2)5 (2)) with uncomplexed imino group with Cl2 gives complexes bearing the N−Cl moiety (PtCl4{NHC(NR2)N(Ph)C(NCl)N- (Ph)C(NR2)NH}) (R = Me (3); R2 = (CH2)5 (4)). X-ray study for 3 revealed a novel type intermolecular halogen bonding N−Cl···Cl − , formed between the Cl atom of the chlorinated imine and the chloride bound to the platinum(IV) center. The processing relevant structural data retrieved from the Cambridge Structural Database (CSDB) shows that this type of halogen bonding is realized in 18 more molecular species having XN−Hal moieties (X = C, P, S, V…

Halogen bondStereochemistryImineIntermolecular forceCenter (category theory)chemistry.chemical_elementMedicinal chemistrychemistry.chemical_compoundchemistryMoietyChelationDensity functional theoryPhysical and Theoretical ChemistryPlatinumta116The Journal of Physical Chemistry A
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Highly Fluorinated 2,2′-Biphenols and Related Compounds: Relationship between Substitution Pattern and Herbicidal Activity

2013

A broad range of halogenated 2,2'-biphenols was tested for applicability as crop protection agents. The activity of these compounds toward four typical pest plants was observed after application by spraying of diluted solutions. Despite their rather simple structure, it was found that the studied compounds reveal a surprisingly high herbicidal impact. To gain a better understanding of the structure-activity relationship, specific sites of the molecule were chemically modified and the core structures thus gradually changed. The influence of the substitution pattern on the herbicidal properties is discussed, and conclusions on the active site of the biphenol structure are drawn. It was observ…

HalogenationMolecular StructurebiologyHerbicidesChemistryFluorine CompoundsSubstitution (logic)Active siteGeneral ChemistryStructure-Activity Relationshipchemistry.chemical_compoundPhenolsHalogenbiology.proteinMoietyOrganic chemistryPhenolMoleculeGeneral Agricultural and Biological SciencesJournal of Agricultural and Food Chemistry
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