Tag: 0-100

Menthol in electronic cigarettes causes biophysical inhibition of pulmonary surfactant was written by Xu, Lu;Yang, Yi;Simien, Jennifer Michelle;Kang, Christopher;Li, Guangle;Xu, Xiaojie;Haglund, Ellinor;Sun, Rui;Zuo, Yi Y.. And the article was included in American Journal of Physiology in 2022.Reference of 57-55-6 This article mentions the following:

With an increasing prevalence of electronic cigarette (e-cigarette) use, especially among youth, there is an urgent need to better understand the biol. risks and pathophysiol. of health conditions related to e-cigarettes. A majority of e-cigarette aerosols are in the submicron size and would deposit in the alveolar region of the lung, where they must first interact with the endogenous pulmonary surfactant. To date, little is known whether e-cigarette aerosols have an adverse impact on the pulmonary surfactant. We have systematically studied the effect of individual e-cigarette ingredients on an animal-derived clin. surfactant preparation, bovine lipid extract surfactant, using a combination of biophys. and anal. techniques, including in vitro biophys. simulations using constrained drop surfactometry, mol. imaging with at. force microscopy, chem. assays using carbon NMR and CD, and in silico mol. dynamics simulations. All data collectively suggest that flavorings used in e-cigarettes, especially menthol, play a predominant role in inhibiting the biophys. function of the surfactant. The mechanism of biophys. inhibition appears to involve menthol interactions with both phospholipids and hydrophobic proteins of the natural surfactant. These results provide novel insights into the understanding of the health impact of e-cigarettes and may contribute to better regulation of e-cigarette products. In the experiment, the researchers used many compounds, for example, 1,2-Propanediol (cas: 57-55-6Reference of 57-55-6).

1,2-Propanediol (cas: 57-55-6) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.Reference of 57-55-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Study of the Glycerol Hydrogenolysis Reaction on Cu, Cu-Zn, and Cu-ZnO Clusters was written by Singh, Ram;Biswas, Prakash;Jha, Prateek K.. And the article was included in ACS Omega in 2022.Electric Literature of C3H8O2 This article mentions the following:

Quantum chem. calculations have been performed to access the efficacy of Cu-based catalysts in various mechanistic steps of the glycerol hydrogenolysis reaction. Calculations are first performed for reactants in the gas phase (noncatalyzed system) and reactants in the gas phase with a 3-atom Cu cluster (catalyzed system). We demonstrate that the glycerol to ethylene glycol conversion is preferred in the noncatalyzed system but glycerol conversion to 1,2-propanediol via the 2-acetol intermediate is preferred in the catalyzed system. We next analyze the adsorption energies of the reactant and product species involved in the glycerol to 1,2-PDO reaction on an 8-atom Cu cluster and Cu cluster doped with a Zn atom or a ZnO mol. Finally, we study the effects of Zn or ZnO doping on the activation barriers of the two steps of the glycerol to 1,2-PDO reaction. In the experiment, the researchers used many compounds, for example, 1,2-Propanediol (cas: 57-55-6Electric Literature of C3H8O2).

1,2-Propanediol (cas: 57-55-6) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Electric Literature of C3H8O2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis and Investigation of Chiral Poly(2,4-disubstituted-2-oxazoline)-Based Triblock Copolymers, Their Self-Assembly, and Formulation with Chiral and Achiral Drugs was written by Yang, Mengshi;Haider, Malik Salman;Forster, Stefan;Hu, Chen;Luxenhofer, Robert. And the article was included in Macromolecules (Washington, DC, United States).Electric Literature of C4H11NO This article mentions the following:

Considering the largely chiral nature of biol. systems, there is interest in chiral drug delivery systems. Here, we investigate for the first time polymer micelles based on poly(2-oxazoline)s (POx) ABA-type triblock copolymers with chiral and racemic hydrophobic blocks for the formulation of chiral and achiral drugs. Specifically, poly(2-ethyl-4-ethyl-2-oxazoline) (pEtEtOx) and poly(2-propyl-4-methyl-2-oxazoline) (pPrMeOx) were used as hydrophobic block B and poly(2-methyl-2-oxazoline) (pMeOx) as hydrophilic block A. Using these triblock copolymers, nanoformulations of curcumin (CUR), paclitaxel (PTX) as well as chiral (R and S) and racemic ibuprofen were prepared For CUR and PTX, the maximum drug loading dependent significantly on the structure of the hydrophobic repeat units, but not the chirality. In contrast, the maximum drug loading with chiral/racemic ibuprofen was neither affected by the polymer structure nor by chirality, but minor effects were observed with respect to the size and size distribution of the drug loaded micelles. In the experiment, the researchers used many compounds, for example, (R)-2-Aminobutan-1-ol (cas: 5856-63-3Electric Literature of C4H11NO).

(R)-2-Aminobutan-1-ol (cas: 5856-63-3) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Electric Literature of C4H11NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Design, Synthesis, Fungicidal Activity, and Unexpected Docking Model of the First Chiral Boscalid Analogues Containing Oxazolines was written by Li, Shengkun;Li, Dangdang;Xiao, Taifeng;Zhang, ShaSha;Song, Zehua;Ma, Hongyu. And the article was included in Journal of Agricultural and Food Chemistry in 2016.SDS of cas: 5856-63-3 This article mentions the following:

Chirality greatly influences a pesticide’s biol. and pharmacol. properties, and will contribute to unnecessary environment loading and undesired ecol. impact. No structure and activity relationship (SAR) of enantiopure succinate dehydrogenase inhibitors (SDHIs) were documented during the structure optimization of boscalids. Based on com. SDHIs, oxazoline natural products and versatile oxazoline ligands in organic synthesis, the first effort was devoted to explore the chiral SDHIs and the preliminary mechanism thereof. Fine-tuning furnished chiral nicotinamides I as a more promising fungicidal candidate against Rhizoctonia solani, Botrytis cinerea and Sclerotinia sclerotiorum, with EC₅₀ values of 0.58, 0.42 and 2.10 mg/L, resp. In vivo bioassay and mol. docking were investigated to explore the potential in practical application and plausible novelty in action mechanism, resp. The unexpected mol. docking model showed the differently chiral effect on the binding site with the amino acids residues. This chiral nicotinamides also featured easy synthesis and cost-efficacy. It will provide a powerful complement to the com. SDHI fungicides with the introduction of chirality. In the experiment, the researchers used many compounds, for example, (R)-2-Aminobutan-1-ol (cas: 5856-63-3SDS of cas: 5856-63-3).

(R)-2-Aminobutan-1-ol (cas: 5856-63-3) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.SDS of cas: 5856-63-3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Selective Palladium(II)-Catalyzed Carbonylation of Methylene β-C-H Bonds in Aliphatic Amines was written by Cabrera-Pardo, Jaime R.;Trowbridge, Aaron;Nappi, Manuel;Ozaki, Kyohei;Gaunt, Matthew J.. And the article was included in Angewandte Chemie, International Edition in 2017.Product Details of 5856-63-3 This article mentions the following:

Palladium(II)-catalyzed C-H carbonylation reactions of methylene C-H bonds in secondary aliphatic amines lead to the formation of trans-disubstituted β-lactams in excellent yields and selectivities. The generality of the C-H carbonylation process is aided by the action of xantphos-based ligands and is important in securing good yields for the β-lactam products. In the experiment, the researchers used many compounds, for example, (R)-2-Aminobutan-1-ol (cas: 5856-63-3Product Details of 5856-63-3).

(R)-2-Aminobutan-1-ol (cas: 5856-63-3) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Product Details of 5856-63-3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

N-Arylazetidines: Preparation through Anionic Ring Closure was written by Quinodoz, Pierre;Drouillat, Bruno;Wright, Karen;Marrot, Jerome;Couty, Francois. And the article was included in Journal of Organic Chemistry in 2016.Synthetic Route of C4H11NO This article mentions the following:

We report herein an efficient synthesis of diversely substituted N-aryl-2-cyanoazetidines based on an anionic ring-closure reaction. These compounds can be prepared from β-amino alcs. in enantiomerically pure form through a three-step sequence involving (i) copper-catalyzed N-arylation, (ii) N-cyanomethylation of the secondary aniline, and (iii) one-pot mesylation followed by ring closure induced by a base. This high-yielding sequence gives access to azetidines with a predictable and adjustable substitution pattern and also with predictable diastereoselectivity. These compounds are susceptible to multiple further derivatizations through Suzuki coupling or nitrile transformation, thus appearing as valuable new scaffolds for medicinal chem. Their rigid shape, featuring an almost planar N-arylamine and a planar four-membered ring, was revealed by both AM1 calculations and X-ray crystallog. In the experiment, the researchers used many compounds, for example, (R)-2-Aminobutan-1-ol (cas: 5856-63-3Synthetic Route of C4H11NO).

(R)-2-Aminobutan-1-ol (cas: 5856-63-3) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Synthetic Route of C4H11NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Vapor-phase hydrogenolysis of glycerol to value-added 1,2-propanediol over copper-nickel bimetallic catalysts supported on activated carbon was written by Kashif, Mohammad;Thangarasu, Sadhasivam;Oh, Tae Hwan;Biswas, Prakash;Kang, Dohyung. And the article was included in Korean Journal of Chemical Engineering in 2022.SDS of cas: 57-55-6 This article mentions the following:

In the production of biodiesel, a sustainable energy alternative to fossil fuel, surplus glycerol, is generated as a byproduct. Valorization of excess glycerol is the most promising approach for rendering the biodiesel sector fiscally practical. Herein, copper and nickel monometallic and bimetallic catalysts supported over activated carbon were developed using the incipient wetness impregnation technique for the hydrogenolysis of vapor-phase glycerol to 1,2-propanediol (1,2-PDO) at a pressure of 0.75 MPa and temperature of 220°C. The catalysts were characterized by Brunauer-Emmett-Teller, X-ray diffraction, H₂-temperature-programmed reduction, NH₃-temperature-programmed desorption, XPS, and SEM analyses. The bimetallic catalysts afforded higher product yields than the monometallic catalysts did in glycerol hydrogenolysis. Cu-Ni(1:1)/AC gave the maximum yield of 1,2-PDO (87.3%), with high glycerol conversion (95.7%) under the previously mentioned reaction conditions, with a comparatively low molar ratio of hydrogen to glycerol (54.6). The strong copper-nickel synergy, smaller crystallite size, and high acid strength of Cu-Ni(1:1)/AC account for this superior performance. In the experiment, the researchers used many compounds, for example, 1,2-Propanediol (cas: 57-55-6SDS of cas: 57-55-6).

1,2-Propanediol (cas: 57-55-6) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.SDS of cas: 57-55-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Reagent-switch controlled metal-free intermolecular geminal diamination and aminooxygenation of vinylarenes was written by Venkatesan Balaji, Pandur;Chandrasekaran, Srinivasan. And the article was included in Tetrahedron in 2016.Product Details of 5856-63-3 This article mentions the following:

The authors report here the first general method for the geminal diamination and an intermol. metal-free, geminal aminooxygenation of vinylarenes using hypervalent iodine reagent (i.e., iodane). A new m-CPBA mediated geminal aminooxygenation is also reported. A novel reagent-switch for the control of migrating group by controlling the two independent geminal addition paths is developed. Deuterium labeling studies and the control studies have provided unambiguous evidences for the Ph migration and hydride migration in the oxidative geminal difunctionalization process mediated by PhI(OCOCF₃)₂ and m-CPBA, resp. through a semi-pinacol rearrangement. Under optimized conditions the synthesis of the target compounds was achieved using (phenyl)bis(2,2,2-trifluoroacetato-κO)iodine and 4-methylbenzenesulfonic acid hydrate as reagent combination. Starting materials included (ethenyl)benzene derivatives (i.e., stryrene) and chiral amino alc. derivatives, such as N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-4-methylbenzenesulfonamide, N-[(1R)-1-(hydroxymethyl)propyl]-4-methylbenzenesulfonamide, N-[(1S,2R)-1-(hydroxymethyl)-2-methylbutyl]-4-methylbenzenesulfonamide, amino acids such as N-[(4-methylphenyl)sulfonyl]-L-serine Me ester, N-[(4-methylphenyl)sulfonyl]-L-threonine Me ester. The title compounds thus formed included (2S,4S)-3-[(4-methylphenyl)sulfonyl]-2,4-bis(phenylmethyl)oxazolidine and related substances. (2S,3AS,8aR)-3,3a,8,8a-tetrahydro-3-[(4-methylphenyl)sulfonyl]-2-(phenylmethyl)-2H-indeno[1,2-d]oxazole was also reported. An amino acid reactant delivered (2R,4S)-3-[(4-methylphenyl)sulfonyl]-2-(phenylmethyl)-4-oxazolidinecarboxlyic acid Me estert. Diamine reactants included N,N‘-(1-methyl-1,2-ethanediyl)bis[4-methylbenzenesulfonamide] derivatives The diamine-derived products thus formed included chiral imidazolidine derivatives In the experiment, the researchers used many compounds, for example, (R)-2-Aminobutan-1-ol (cas: 5856-63-3Product Details of 5856-63-3).

(R)-2-Aminobutan-1-ol (cas: 5856-63-3) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Product Details of 5856-63-3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pharmaceutical excipients with potential to cause adverse effects in paediatric nasal medicines was written by Stjepanovic, Ana N.;Todorovic, Nemanja B.;Tesic, Tamara Z.;Komazec, Zoran S.;Canji-Panic, Jelena M.;Lalic-Popovic, Mladena N.. And the article was included in Regulatory Toxicology and Pharmacology in 2022.Synthetic Route of C3H8O2 This article mentions the following:

Some pharmaceutical excipients may cause adverse reactions, excipient-related interactions and/or contraindications. Due to the unique characteristics of the paediatric population, adverse effects may occur to substances generally thought safe. The proportion of topical nasal medicines approved for paediatric use and the prevalence and labeling of excipients with known effect (EKE) in these products were compared in Serbia as a non-EU country and Croatia and Slovenia as EU countries. The study was designed as a post-authorization safety study and safety of excipients was considered in accordance with recommendations of the European Medicines Agency (EMA). More than 90% of topical nasal medicines registered in the three countries were approved for paediatric use and more than half of these paediatric medicines contained EKE that may cause adverse effects. Benzalkonium chloride was found in 52.38%, 55.81% and 59.09% of these products in Serbia, Croatia and Slovenia, resp. Propylene glycol, benzyl alc., ethanol, Me paraben, Pr paraben and boric acid were also present in a few analyzed preparations A significant number of EKE labeling deficiencies were detected in all three countries, hindering healthcare professionals ′ access to information needed for adequate patient counselling. A revision of the nasal paediatric medicines ′ PLs and SmPCs is recommended. In the experiment, the researchers used many compounds, for example, 1,2-Propanediol (cas: 57-55-6Synthetic Route of C3H8O2).

1,2-Propanediol (cas: 57-55-6) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.Synthetic Route of C3H8O2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Multiple cryoprotectant toxicity model for vitrification solution optimization was written by Warner, Ross M.;Brown, Kevin S.;Benson, James D.;Eroglu, Ali;Higgins, Adam Z.. And the article was included in Cryobiology in 2022.Reference of 57-55-6 This article mentions the following:

Vitrification is a promising cryopreservation technique for complex specimens such as tissues and organs. However, it is challenging to identify mixtures of cryoprotectants (CPAs) that prevent ice formation without exerting excessive toxicity. In this work, we developed a multi-CPA toxicity model that predicts the toxicity kinetics of mixtures containing five of the most common CPAs used in the field (glycerol, di-Me sulfoxide (DMSO), propylene glycol, ethylene glycol, and formamide). The model accounts for specific toxicity, non-specific toxicity, and interactions between CPAs. The proposed model shows reasonable agreement with training data for single and binary CPA solutions, as well as ternary CPA solution validation data. Sloppy model anal. was used to examine the model parameters that were most important for predictions, providing clues about mechanisms of toxicity. This anal. revealed that the model terms for non-specific toxicity were particularly important, especially the non-specific toxicity of propylene glycol, as well as model terms for specific toxicity of formamide and interactions between formamide and glycerol. To demonstrate the potential for model-based design of vitrification methods, we paired the multi-CPA toxicity model with a published vitrification/devitrification model to identify vitrifiable CPA mixtures that are predicted to have minimal toxicity. The resulting optimized vitrification solution composition was a mixture of 7.4 m glycerol, 1.4 m DMSO, and 2.4 m formamide. This demonstrates the potential for math. optimization of vitrification solution composition and sets the stage for future studies to optimize the complete vitrification process, including CPA mixture composition and CPA addition and removal methods. In the experiment, the researchers used many compounds, for example, 1,2-Propanediol (cas: 57-55-6Reference of 57-55-6).

1,2-Propanediol (cas: 57-55-6) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Reference of 57-55-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts