Tag: 100-200

An assessment of the toxicity of some pesticides and their metabolites affecting a natural aquatic environment using the Microtox system was written by Amoros, I.;Connon, R.;Garelick, H.;Alonso, J. L.;Carrasco, J. M.. And the article was included in Water Science and Technology in 2000.Synthetic Route of C8H9NO3 This article mentions the following:

The conservation and preservation of aquatic ecosystems is of utmost importance due to the high diversity and d. of species and their complex food network. The evaluation of the potential adverse environmental impact caused by pesticides entering water bodies is an important parameter in aquatic toxicity. The toxicity of the insecticide, fenitrothion and two of its metabolites, 3-methyl-4-nitrophenol and 3-methyl-4-nitroanisole, and of the herbicides thiobencarb and molinate, commonly used in rice fields in Valencia near the protected area of lake Albufera, was tested by the Microtox system. The 15 min EC₅₀ values obtained with the marine luminescent bacterium Vibrio fischeri showed that the thiobencarb was the most toxic of the 3 tested pesticides with an EC₅₀ value of 0.03 mg/L. The EC₅₀ values of the first 2 steps of the fenitrothion hydrolysis indicated that while the first metabolite, 3-methyl-4-nitrophenol, was as toxic as its parent compound, a decreased toxicity was observed for the second metabolite, 3-methyl-4-nitroanisole. To analyze the toxic effects of pesticides in complex mixtures the EC₅₀ values of fenitrothion, molinate, and thiobencarb as pure substances and their mixtures were compared. The impact of the pesticides in the natural ecosystem was also studied and a protective effect of lake water was observed In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitroanisole (cas: 5367-32-8Synthetic Route of C8H9NO3).

3-Methyl-4-nitroanisole (cas: 5367-32-8) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Synthetic Route of C8H9NO3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Coenzyme Q₀ from Antrodia cinnamomea exhibits drug-resistant bacteria eradication and keratinocyte inflammation mitigation to ameliorate infected atopic dermatitis in mouse was written by Chou, Wei-Ling;Lee, Tzong-Huei;Huang, Tse-Hung;Wang, Pei-Wen;Chen, Ya-Ping;Chen, Chin-Chang;Chang, Zi-Yu;Fang, Jia-You;Yang, Shih-Chun. And the article was included in Frontiers in Pharmacology in 2019.Recommanded Product: 605-94-7 This article mentions the following:

Atopic dermatitis (AD) is an inflammatory skin disease that is usually accompanied by Staphylococcus aureus infection due to cutaneous barrier-function damage. Benzenoid compounds from Antrodia cinnamomea are known to exhibit antibacterial and antiinflammatory activities. This study sought to investigate the potential of benzenoids for treating bacteria-infected AD. The compounds were screened against methicillin-resistant S. aureus (MRSA). Coenzyme Q0 (CoQ0), a key ingredient in A. cinnamomea, showed the strongest MRSA growth inhibition. We further tested the inhibitory effect of CoQ0 on planktonic and biofilm MRSA. The work was also performed to explore the potential effectiveness of CoQ0 on AD using activated keratinocytes and in vivo exptl. AD mice as the models. The min. inhibitory concentration (MIC) and min. bactericidal concentration (MBC) of CoQ0 against MRSA were 7.81婵炴挾鎸?mL. CoQ0 was found to eradicate biofilm MRSA efficiently and reduce the biofilm thickness. CoQ0 killed MRSA by inhibiting DNA polymerase and topoisomerases. A proteomic assay showed that CoQ0 also reduced the ribosomal proteins. In the anti-inflammation study, CoQ0 was found to downregulate the expression of interleukin (IL)-6, chemokine (C-C motif) ligand (CCL)5, and CCL17 in HaCaT cells. CoQ0 at 0.5婵炴挾鎸?mL could recover the filaggrin decreased by HaCaT activation to the normal control. We established a bacteria-infected AD-like model in mice using ovalbumin (OVA) and topically applied MRSA. Topical CoQ0 delivery lessened the MRSA presence in the AD-like lesions by >90%. The erythema, barrier function, and epidermal thickness of the AD-like wounds were improved by CoQ0 through the reduction of IL-1閻? IL-4, IL-6, IL-10, interferon (IFN)-缂? and by neutrophil infiltration in the lesional skin. CoQ0 is therefore regarded as effective in mitigating AD symptoms associated with bacterial load. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Recommanded Product: 605-94-7).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. Ethers can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O闂佺偨鍎插?or N闂佺偨鍎插?bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Recommanded Product: 605-94-7

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Textile-based non-invasive lithium drug monitoring: A proof-of-concept study for wearable sensing was written by Sweilam, Mona N.;Cordery, Sarah F.;Totti, Stella;Velliou, Eirini G.;Campagnolo, Paola;Varcoe, John R.;Delgado-Charro, M. Begona;Crean, Carol. And the article was included in Biosensors & Bioelectronics in 2020.Product Details of 111-77-3 This article mentions the following:

Flexible wearable chem. sensors are emerging tools which target diagnosis and monitoring of medical conditions. One of the potential applications of wearable chem. sensors is therapeutic drug monitoring for drugs that have a narrow therapeutic range such as lithium. We have investigated the possibility of developing a fiber-based device for non-invasive lithium drug monitoring in interstitial fluid. A flexible cotton-based lithium sensor was coupled with a carbon fiber-based reference electrode to obtain a potentiometric device. In vitro reverse iontophoresis experiments were performed to extract Li⁺ from under porcine skin by applying a c.d. of 0.4 mA cm^-2 via two electrodes. Carbon fiber-based reverse iontophoresis electrodes were fabricated and used instead of a conventional silver wire-based version and comparable results were obtained. The fiber-based Li⁺ sensor and reference electrodes were capable of determining the Li⁺ concentration in samples collected via reverse iontophoresis and the results compared well to those obtained by ion chromatog. Addnl., biocompatibility of the materials used have been tested. Promising results were obtained which confirm the possibility of monitoring lithium in interstitial fluid using a wearable sensor. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Product Details of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides.Product Details of 111-77-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Cascade upgrading of bio-based 4閳?methoxypropiophenone to anethole enabled by hot-compressed alcohol over a Hf-phytic acid coordination catalyst was written by Tan, Jinyu;Wu, Hongguo;Huang, Jinshu;Jian, Yumei;Zhang, Li-Long;Zhang, Heng;Li, Hu;Yang, Song. And the article was included in Journal of Supercritical Fluids in 2022.Synthetic Route of C8H10O2 This article mentions the following:

Hot compressed solvents (alc., water) have been widely used in the production of value-added chems. from biomass due to their sufficiently low viscosity, high diffusivity, and environmentally-benign features. Anethole (AN) is a unique kind of natural aromatic compound, while its green synthesis method still requires to be explored. Herein, a novel porous acid-base bifunctional phytic acid (PA)-hafnium (Hf)(1:2.5) catalyst was prepared by a simple assembly of PA with Hf under a one-pot hydrothermal method (120 鎺矯, 24 h). The PA-Hf(1: 2.5) possessed outstanding catalytic activity for the synthesis of AN from 4閳?methoxypropiophenone (4-MOPP) at 220 鎺矯 and 15 bar in 2-pentanol (4-MOPP conversion: 99.8%, AN yield: 98.8%), which can be ascribed to its moderate surface area (95.3 m²/g), pore volume (0.18 cm³/g), mesopores (4.0 nm), and acid-base couple sites (d.: 3.6 vs 1.7 mmol/g). 2-Pentanol was determined to serve as the superior hydrogen donor and solvent for the overall conversion process, which can remarkably hinder side reactions in this hot-compressed medium. Moreover, the cooperative interaction of Lewis acid-base couple sites (Hf₄⁺-O₂^–) and Bronsted acidic species (-OH) of PA-Hf(1:2.5) led to its excellent catalytic performance. PA-Hf(1:2.5) was highly reusable with constant activity after five reaction cycles. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Synthetic Route of C8H10O2).

(4-Methoxyphenyl)methanol (cas: 105-13-5) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.Synthetic Route of C8H10O2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Metabolism of alkenebenzene derivatives in the rat. II. Eugenol and isoeugenol methyl ethers was written by Solheim, Einar;Scheline, Ronald R.. And the article was included in Xenobiotica in 1976.Application In Synthesis of 3-(3,4-Dimethoxyphenyl)propan-1-ol This article mentions the following:

In the rat eugenol Me ether (I) [93-15-2] underwent oxidation of the allylic side chain to form 3 metabolites, 2 of which were excreted as glycine conjugates. Other metabolic reactions were hydroxylation of the benzene ring, O-demethylation, and 2 oxidation reactions; 63-95% of the initial dose was accounted for. The major metabolic path of isoeugenol Me ether (II) [93-16-3] was via cinnamoyl derivatives, but O-demethylation, and oxidation also occurred. Most of the metabolites of I and II were also found in the bile. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Application In Synthesis of 3-(3,4-Dimethoxyphenyl)propan-1-ol).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive. Ethers feature bent C閳ユ彊閳ユ弲 linkages. In dimethyl ether, the bond angle is 111鎺?and C閳ユ彊 distances are 141 pm. The barrier to rotation about the C閳ユ彊 bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.Application In Synthesis of 3-(3,4-Dimethoxyphenyl)propan-1-ol

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Chemoinformatics-Driven Design of New Physical Solvents for Selective CO₂ Absorption was written by Orlov, Alexey A.;Demenko, Daryna Yu.;Bignaud, Charles;Valtz, Alain;Marcou, Gilles;Horvath, Dragos;Coquelet, Christophe;Varnek, Alexandre;de Meyer, Frederick. And the article was included in Environmental Science & Technology in 2021.Electric Literature of C8H18O4 This article mentions the following:

The removal of CO₂ from gases is an important industrial process in the transition to a low-carbon economy. The use of selective phys. (co-)solvents is especially perspective in cases when the amount of CO₂ is large as it enables one to lower the energy requirements for solvent regeneration. However, only a few phys. solvents have found industrial application and the design of new ones can pave the way to more efficient gas treatment techniques. Exptl. screening of gas solubility is a labor-intensive process, and solubility modeling is a viable strategy to reduce the number of solvents subject to exptl. measurements. In this paper, a chemoinformatics-based modeling workflow was applied to build a predictive model for the solubility of CO₂ and four other industrially important gases (CO, CH₄, H₂, and N₂). A dataset containing solubilities of gases in 280 solvents was collected from literature sources and supplemented with the new data for six solvents measured in the present study. A modeling workflow based on the usage of several state-of-the-art machine learning algorithms was applied to establish quant. structure-solubility relationships. The best models were used to perform virtual screening of the industrially produced chems. It enabled the identification of compounds with high predicted CO₂ solubility and selectivity toward other gases. The prediction for one of the compounds, 4-methylmorpholine, was confirmed exptl. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Electric Literature of C8H18O4).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive. Ethers can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O閳ユ椊 or N閳ユ椊 bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Electric Literature of C8H18O4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Ionizing radiation and natural constituents of living cells: Low-energy electron interaction with coenzyme Q analogs was written by Pshenichnyuk, Stanislav A.;Modelli, Alberto;Asfandiarov, Nail L.;Komolov, Alexey S.. And the article was included in Journal of Chemical Physics in 2020.Synthetic Route of C9H10O4 This article mentions the following:

Resonance electron attachment to short-tail analogs of coenzyme Q₁₀ is investigated in the electron energy range 0 eV-14 eV under gas-phase conditions by means of dissociative electron attachment spectroscopy. Formation of long-lived (milliseconds) mol. neg. ions is detected at 1.2 eV, but not at thermal energy. A huge increase in the electron detachment time as compared with the reference para-benzoquinone (40娓璼) is ascribed to the presence of the isoprene side chains. Elimination of a neutral CH₃ radical is found to be the most intense decay detected on the microsecond time scale. The results give some insight into the timescale of electron-driven processes stimulated in living tissues by high-energy radiation and are of importance in prospective fields of radiobiol. and medicine. (c) 2020 American Institute of Physics. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Synthetic Route of C9H10O4).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. Ethers feature bent C閳ユ彊閳ユ弲 linkages. In dimethyl ether, the bond angle is 111鎺?and C閳ユ彊 distances are 141 pm. The barrier to rotation about the C閳ユ彊 bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.Synthetic Route of C9H10O4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Coenzyme Q₀ immobilized on magnetic nanoparticle: synthesis and antitumoral effect on Saos, MCF7 and Hela cell lines was written by Amiri, Mohsen Aboukazempour;Aghamaali, Mahmoud Reza;Parsian, Hadi;Tashakkorian, Hamed. And the article was included in Iranian Journal of Pharmaceutical Research in 2020.Computed Properties of C9H10O4 This article mentions the following:

Many attempts in medical community focused on the preparation of anticancer agents. Various Coenzyme Q such as CoQ₀ analogs have been reported as anti-inflammatory, anticancer, and antioxidant substances. In this study a novel derivatives of Coenzyme Q as an anticancer agent have been introduced. The prepared magnetic nanoparticle, containing CoQ₀ were prepared using common chem. methods and also characterized by means of NMR (NMR), fourier transform IR (FT-IR), thermal gravimetric anal. (TGA), and differential scanning calorimetric (DSC). To evaluate the antiproliferative effects of the nanoparticle, the prepared compound was treated with cell lines such as Hela, MCF-7 and Saos. Moreover, the outcomes were compared with normal fibroblast cell line. These assessments were performed by means of MTT assay. Investigation on the capability of this prepared nanoparticle showed some reliable results including cytotoxicities against MCF7, Saos and Hela cancer cell lines which were illustrated by displaying the morphol. of the treated cells using AO/EB dual staining fluorescent technique. Employing simple method for preparation as well as the promising cytotoxic results makes it as a promising candidate for further bioexperiments. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Computed Properties of C9H10O4).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. Ethers can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O閳ユ椊 or N閳ユ椊 bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Computed Properties of C9H10O4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Identification of novel bivalent mimetics of annonaceous acetogenins via a scaffold-hopping strategy was written by Liu, Yanghan;Liu, Yongqiang;Li, Zhen;Zhou, Guang-Biao;Yao, Zhu-Jun;Jiang, Sheng. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2014.Application of 605-94-7 This article mentions the following:

A series of novel bivalent mimetics of annonaceous acetogenins have been designed, synthesized, and evaluated. Among these, compound 7 bearing a homopiperazine ring in the middle region exhibited more potent growth inhibitory activity and higher selectivity against cancer cells over normal cells by comparison with AA005. This work indicates that modification of the middle piperazine ring is a useful optimizing tool for the simplified acetogenin mimetics. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Application of 605-94-7).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. Ethyl ether is an excellent solvent for extractions and for a wide variety of chemical reactions. It is also used as a volatile starting fluid for diesel engines and gasoline engines in cold weather. Dimethyl ether is used as a spray propellant and refrigerant. Methyl t-butyl ether (MTBE) is a gasoline additive that boosts the octane number and reduces the amount of nitrogen-oxide pollutants in the exhaust. The ethers of ethylene glycol are used as solvents and plasticizers.Application of 605-94-7

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Preparation, Photophysical and Electrochemical Evaluation of an Azaborondipyrromethene/Zinc Porphyrin/Graphene Supramolecular Nanoensemble was written by Rotas, Georgios;Thomas, Michael B.;Canton-Vitoria, Ruben;D’Souza, Francis;Tagmatarchis, Nikos. And the article was included in Chemistry – A European Journal in 2020.Application of 111-77-3 This article mentions the following:

The preparation of an entirely supramol., multichromophoric azaborondipyrromethene (ABDP)/zinc tetraphenylporphyrin (ZnTPP)/exfoliated graphene (GR) nanoensemble was accomplished. The ABDP derivative bears glycol chains for enhancing solubility and a pyridine functionality for allowing coordination with ZnTPP. The ABDP/ZnTPP/GR nanoensemble was characterized in terms of morphol. and composition by using complementary microscopy imaging, thermogravimetric anal., Raman as well as steady-state and time-resolved absorption and emission spectroscopy. The photophys. and electrochem. assessment of ABDP/ZnTPP/GR as well as the binding properties of the ABDP/ZnTPP complex, employed as a reference, are presented. Energy and electron transfer events were observed in ABDP/ZnTPP upon photoexcitation. However, in the case of ABDP/ZnTPP/GR, the graphene-induced aggregation of the chromophores alters their electronic interactions, enhancing the energy/electron transfer process between them. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Application of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. Autoxidation is the spontaneous oxidation of a compound in air. In the presence of oxygen, ethers slowly autoxidize to form hydroperoxides and dialkyl peroxides. If concentrated or heated, these peroxides may explode. To prevent such explosions, ethers should be obtained in small quantities, kept in tightly sealed containers, and used promptly.Application of 111-77-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem