Month: December 2022

Hellmann, Christoph published the artcileDesign of pheromone releasing nanofibers for plant protection, Name: (Z)-Dodec-9-en-1-yl acetate, the publication is Polymers for Advanced Technologies (2011), 22(4), 407-413, database is CAplus.

Plants tend to attract diseases quite similar to human beings. Pesticides tend to be used to control such diseases. An alternative route, at least as far as damages from insects is concerned, envisions the application of pheromones. These cause a disorientation of male insects so that they are no longer able to locate the females, which finally gives rise to suppression of reproduction The approach considered in this paper is based on the release of pheromones from polymer carriers, in particular, from nanofibers webs as obtained by electrospinning. These may be distributed across the field quite similar to spider webs. The pheromones are required to be incorporated in sufficiently high concentrations in the nanofibers via electrospinning and to be released from the nanofibers for a sufficiently long time expanding over several weeks to months. Polyamide 6 as well as cellulose acetate was used as a polymer carrier in the investigations reported in this contribution. Studies reveal that fluid pheromones can, in fact, be incorporated in the nanofibers to more than 33 weight%. They may undergo a nanoscalar phase separation within the fibers during electrospinning. Furthermore, thermogravimetric studies revealed via in vitro release studies that the pheromones are released from the nanofibers in a nearly linear fashion over a period covering many weeks. Copyright © 2009 John Wiley & Sons, Ltd.

Polymers for Advanced Technologies published new progress about 16974-11-1. 16974-11-1 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is (Z)-Dodec-9-en-1-yl acetate, and the molecular formula is C14H26O2, Name: (Z)-Dodec-9-en-1-yl acetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Hoyle, Christopher published the artcileItaconate and fumarate derivatives inhibit priming and activation of the canonical NLRP3 inflammasome in macrophages, Formula: C6H8O4, the publication is Immunology (2022), 165(4), 460-480, database is CAplus and MEDLINE.

The NLRP3 inflammasome is a multiprotein complex that regulates caspase-1 activation and subsequent interleukin (IL)-1β and IL-18 release from innate immune cells in response to infection or injury. Derivatives of the metabolites itaconate and fumarate, di-Me itaconate (DMI), 4-octyl itaconate (4OI) and di-Me fumarate (DMF) limit both expression and release of IL-1β following NLRP3 inflammasome activation. However, the direct effects of these metabolite derivatives on NLRP3 inflammasome responses require further investigation. Using murine bone marrow-derived macrophages, mixed glia and organotypic hippocampal slice cultures (OHSCs), we demonstrate that DMI, 4OI and DMF pretreatments inhibit pro-inflammatory cytokine production in response to lipopolysaccharide (LPS), as well as inhibit subsequent NLRP3 inflammasome activation induced by nigericin. DMI, 4OI, DMF and monomethyl fumarate (MMF), another fumarate derivative, also directly inhibited biochem. markers of NLRP3 activation in LPS-primed macrophages, mixed glia, OHSCs and human macrophages in response to nigericin and imiquimod, including ASC speck formation, caspase-1 activation, gasdermin D cleavage and IL-1β release. DMF, an approved treatment of multiple sclerosis, as well as DMI, 4OI and MMF, inhibited NLRP3 activation in macrophages in response to lysophosphatidylcholine, which is used to induce demyelination, suggesting a possible mechanism for DMF in multiple sclerosis through NLRP3 inhibition. The derivatives also reduced pro-IL-1α cleavage in response to the calcium ionophore ionomycin. Together, these findings reveal the immunometabolic regulation of both the priming and activation steps of NLRP3 activation in macrophages. Furthermore, we highlight itaconate and fumarate derivatives as potential therapeutic options in NLRP3- and IL-1α-driven diseases, including in the brain.

Immunology published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C6H8O4, Formula: C6H8O4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Hoyle, Christopher published the artcileItaconate and fumarate derivatives inhibit priming and activation of the canonical NLRP3 inflammasome in macrophages, COA of Formula: C7H10O4, the publication is Immunology (2022), 165(4), 460-480, database is CAplus and MEDLINE.

The NLRP3 inflammasome is a multiprotein complex that regulates caspase-1 activation and subsequent interleukin (IL)-1β and IL-18 release from innate immune cells in response to infection or injury. Derivatives of the metabolites itaconate and fumarate, di-Me itaconate (DMI), 4-octyl itaconate (4OI) and di-Me fumarate (DMF) limit both expression and release of IL-1β following NLRP3 inflammasome activation. However, the direct effects of these metabolite derivatives on NLRP3 inflammasome responses require further investigation. Using murine bone marrow-derived macrophages, mixed glia and organotypic hippocampal slice cultures (OHSCs), we demonstrate that DMI, 4OI and DMF pretreatments inhibit pro-inflammatory cytokine production in response to lipopolysaccharide (LPS), as well as inhibit subsequent NLRP3 inflammasome activation induced by nigericin. DMI, 4OI, DMF and monomethyl fumarate (MMF), another fumarate derivative, also directly inhibited biochem. markers of NLRP3 activation in LPS-primed macrophages, mixed glia, OHSCs and human macrophages in response to nigericin and imiquimod, including ASC speck formation, caspase-1 activation, gasdermin D cleavage and IL-1β release. DMF, an approved treatment of multiple sclerosis, as well as DMI, 4OI and MMF, inhibited NLRP3 activation in macrophages in response to lysophosphatidylcholine, which is used to induce demyelination, suggesting a possible mechanism for DMF in multiple sclerosis through NLRP3 inhibition. The derivatives also reduced pro-IL-1α cleavage in response to the calcium ionophore ionomycin. Together, these findings reveal the immunometabolic regulation of both the priming and activation steps of NLRP3 activation in macrophages. Furthermore, we highlight itaconate and fumarate derivatives as potential therapeutic options in NLRP3- and IL-1α-driven diseases, including in the brain.

Immunology published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, COA of Formula: C7H10O4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Yaghoobi, Mehrdad published the artcileAutomatic Cocrystal Detection by Raman Spectral Deconvolution-Based Novelty Analysis, Related Products of esters-buliding-blocks, the publication is Analytical Chemistry (Washington, DC, United States) (2021), 93(43), 14375-14382, database is CAplus and MEDLINE.

Cocrystals are important mol. adducts that have many advantages as a means of modifying the physicochem. properties of active pharmaceutical ingredients, including taste masking and improved solubility, bioavailability, and stability. As a result, the discovery of new cocrystals is of great interest to com. drug discovery programs. Time-consuming manual anal. of the large volumes of data that emerge from large-scale cocrystal screening programs of up to 1000s of preparations poses a challenge. Raman spectroscopy has been shown to discriminate between cocrystals and phys. mixtures and is easy to automate, allowing rapid screening of large numbers of potential cocrystals, but the spectral features that encode the information are often subtle (e.g., slight changes in peak positions or intensities). We have employed an automated signal processing routine based on a sparse decomposition algorithm to speed up the data processing steps while maintaining the accuracy of a trained spectroscopist. We used our algorithm to screen 31 potential cocrystal preparations and found that through the use of a computationally generated threshold, we could achieve a clear classification of cocrystals and phys. mixtures in less than a minute, compared to several hours manually.

Analytical Chemistry (Washington, DC, United States) published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C12H14O2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Garnes-Portoles, Francisco published the artcileRegioirregular and catalytic Mizoroki-Heck reactions, Related Products of esters-buliding-blocks, the publication is Nature Catalysis (2021), 4(4), 293-303, database is CAplus.

Here, the ligand-free, few-atom palladium clusters in solution catalyze the α-selective intramol. Mizoroki-Heck coupling of iodoaryl cinnamates, and mechanistic studies support the formation of a sterically encumbered cinnamate-palladium cluster intermediate was showed. Following this rationale, the α-selective intermol. coupling of aryl iodides with styrenes was also achieved with palladium clusters encapsulated within fine-tuned and sterically restricted zeolite cavities to produce 1,1-bisarylethylenes, which are further engaged with aryl halides by a metal-free photoredox-catalyzed coupling. These ligand-free methodologies significantly expand the chem. space of the Mizoroki-Heck coupling.

Nature Catalysis published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Askey, Hannah E. published the artcilePhotocatalytic Hydroaminoalkylation of Styrenes with Unprotected Primary Alkylamines, Recommanded Product: Methyl 3-phenyl-2-propenoate, the publication is Journal of the American Chemical Society (2021), 143(39), 15936-15945, database is CAplus and MEDLINE.

A solution to these problems using organophotoredox catalysis, enabling a direct, modular and sustainable preparation of α-(di)substituted γ-arylamines, including challenging electron-neutral and moderately electron-rich aryl groups was reported. A broad range of functionalities were tolerated, and the reactions was run on multigram scale in continuous flow. The method was applied to a concise, protecting-group-free synthesis of the blockbuster drug Fingolimod, as well as a phosphonate mimic of its in-vivo active form (by iterative α-C-H functionalization of ethanolamine). The reaction was sequenced with an intramol. N-arylation to provided a general and modular access to valuable (spirocyclic) 1,2,3,4-tetrahydroquinolines and 1,2,3,4-tetrahydronaphthyridines. Mechanistic and kinetic studies supportes an irreversible hydrogen atom transfer activation of the alkylamine by the azidyl radical and some contribution from a radical chain. The reaction was photon-limited and exhibits a zero-order dependence on amine, azide, and photocatalyst, with a first-order dependence on styrene.

Journal of the American Chemical Society published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Recommanded Product: Methyl 3-phenyl-2-propenoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Laurence, Christian published the artcileAn Enthalpic Scale of Hydrogen-Bond Basicity. 4. Carbon π Bases, Oxygen Bases, and Miscellaneous Second-Row, Third-Row, and Fourth-Row Bases and a Survey of the 4-Fluorophenol Affinity Scale, Formula: C7H13NO2, the publication is Journal of Organic Chemistry (2010), 75(12), 4105-4123, database is CAplus and MEDLINE.

The thermodn. of the O-H···B hydrogen bond (HB) has been determined in CCl₄ by FTIR spectrometry for a wide variety of carbon π bases, oxygen bases, and miscellaneous first- to fourth-row bases, using 4-fluorophenol as a reference hydrogen-bond donor (HBD). After inclusion of previously studied nitrogen, sulfur, and halogen bases, this 4-fluorophenol affinity scale contains 314 varied organic bases and ranges over 40 kJ mol^-1. The 4-fluorophenol affinity scale in CCl₄ is shown to be applicable to most HBDs in most media, provided a small family dependence is taken into account. The HB affinity orders are quant. established according to the at. acceptor site or to its bearing functional group. A comprehensive survey of the influence of substituents on these affinity orders is then achieved, considering electronic and steric effects, as well as effects of vinylogy or iminol. Iminol. is found to be more efficient than vinylogy for transmitting resonance effects. Steric effects are shown to be less important in HB affinity than in HB basicity since they mainly act on the HB entropy. The spatial proximity of two acceptor sites can favor complexation through three-center hydrogen bonds, leading to superhydrogen-bond bases on the affinity scale.

Journal of Organic Chemistry published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Formula: C7H13NO2.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Rist, Paige A. published the artcileGold-catalyzed intermolecular alkyne oxyarylation for C3 functionalization of benzothiophenes, Recommanded Product: Tris(2,4-di-tert-butylphenyl) phosphite, the publication is Organic Letters (2021), 23(3), 642-646, database is CAplus and MEDLINE.

C3-selective C-C bond formation on benzothiophenes is challenging, and few direct functionalization methods are available. A gold-catalyzed reaction of alkynes with benzothiophene S-oxides provides regioselective entry into C3-alkylated benzothiophenes with the C7-alkylated isomer as the minor product. This oxyarylation reaction works with alkyl and aryl alkynes and substituted and unsubstituted benzothiophenes. Mechanistic studies identify that sulfoxide inhibits the catalyst [DTBPAu(PhCN)]SbF₆, which also degrades and forms the unreactive complex [(DTBP)₂Au]SbF₆.

Organic Letters published new progress about 31570-04-4. 31570-04-4 belongs to esters-buliding-blocks, auxiliary class Mono-phosphine Ligands, name is Tris(2,4-di-tert-butylphenyl) phosphite, and the molecular formula is C42H63O3P, Recommanded Product: Tris(2,4-di-tert-butylphenyl) phosphite.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Prakash, Thazha P. published the artcileTargeted delivery of antisense oligonucleotides to hepatocytes using triantennary N-acetyl galactosamine improves potency 10-fold in mice, Computed Properties of 10378-06-0, the publication is Nucleic Acids Research (2014), 42(13), 8796-8807, database is CAplus and MEDLINE.

Triantennary N-acetyl galactosamine (GalNAc, GN3), a high-affinity ligand for the hepatocyte-specific asialoglycoprotein receptor (ASGPR), enhances the potency of second-generation gapmer antisense oligonucleotides (ASOs) 6-10-fold in mouse liver. When combined with next-generation ASO designs comprised of short S-cEt (S-2′-O-Et-2′,4′-bridged nucleic acid) gapmer ASOs, ∼60-fold enhancement in potency relative to the parent MOE (2′-O-methoxyethyl RNA) ASO was observed GN3-conjugated ASOs showed high affinity for mouse ASGPR, which results in enhanced ASO delivery to hepatocytes vs. nonparenchymal cells. After internalization into cells, the GN3-ASO conjugate is metabolized to liberate the parent ASO in the liver. No metabolism of the GN3-ASO conjugate was detected in plasma suggesting that GN3 acts as a hepatocyte targeting prodrug that is detached from the ASO by metabolism after internalization into the liver. GalNAc conjugation also enhanced potency and duration of the effect of two ASOs targeting human apolipoprotein C-III and human transthyretin in transgenic mice. The unconjugated ASOs are currently in late stage clin. trials for the treatment of familial chylomicronemia and TTR-mediated polyneuropathy. The ability to translate these observations in humans offers the potential to improve therapeutic index, reduce cost of therapy and support a monthly dosing schedule for therapeutic suppression of gene expression in the liver using ASOs.

Nucleic Acids Research published new progress about 10378-06-0. 10378-06-0 belongs to esters-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Ester,Inhibitor,Inhibitor, name is (3aR,5R,6R,7R,7aR)-5-(Acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazole-6,7-diyl diacetate, and the molecular formula is C14H19NO8, Computed Properties of 10378-06-0.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Rahal, Mahmoud published the artcileDesign of keto-coumarin based photoinitiator for free radical photopolymerization: Towards 3D printing and photocomposites applications, HPLC of Formula: 10287-53-3, the publication is European Polymer Journal (2021), 110559, database is CAplus.

In this article, ten organic dyes based on keto-coumarin (KC) derivatives (MeO-Coum1, MeO-Coum10) have been synthesized and characterized as high performance photoinitiators for the Free Radical Photopolymerization (FRP) of acrylates upon visible light exposure using a Light emitting diode (LED) @405 nm. The addition of iodonium salt (Iod), amine [ethyl dimethylaminobenzoate (EDB) or N-phenylglycine (NPG)] and Iod/NPG couple in the photocurable resins have been carried out in order to prove their influences on the improvement on the photoinitiating abilities of keto-coumarins. The different dyes showed a very high ability to initiate the free radical photopolymerization by introduction of these additives, using two or three-component photoinitiating systems based on MeO-Coum/Iod or amine (0.1% or 0.4%/1% weight/weight) or MeO-Coum/Iod/NPG (0.1% or 0.4%/1%/1% weight/weight/w) resp. In fact, these photoinitiators have been tested in different applications. For example: in direct laser write to generate 3D patterns using a laser diode @405 nm, or for the photocomposite synthesis based on glass fibers. To characterize the initiation ability and to explain the reaction mechanisms in the photoinitiation step, several techniques have been used, such as UV-visible spectroscopy and steady state photolysis, fluorescence emission, RT-FTIR and cyclic voltammetry experiments

European Polymer Journal published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, HPLC of Formula: 10287-53-3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics