Month: November 2022

Solubility of monobenzone in aqueous co-solvent mixtures of several alcohols: Determination, modelling and thermodynamic aspects analysis was written by Zhou, Yanyan;Wu, Jiaxin;Farajtabar, Ali;Wang, Jian;Zhao, Hongkun. And the article was included in Journal of Chemical Thermodynamics in 2020.Reference of 103-16-2 The following contents are mentioned in the article:

Investigation upon the solubility of monobenzone in aqueous co-solvent mixtures of isopropanol, n-propanol, ethylene glycol (EG) and ethanol was performed via a saturation shake-flask technique at temperatures from 283.15 K to 328.15 K under pressure of p = 101.2 kPa. Exptl. solubility magnitude presented pos. dependence upon the mass fraction of each co-solvent and temperature The greatest solubility value on the mole fraction scale was observed in the neat co-solvents. The equilibrated solids with corresponding co-solvent mixtures were characterized through an X-ray power diffraction (XRD) technique, demonstrating the absence of polymorphic transformation or solvate formation. The Jouyban-Acree model was adopted to math. describe the monobenzone solubility data. The maximum magnitudes of RAD and RMSD were 3.17 × 10^-2 and 7.64 × 10^-4, resp. The local mole fractions of isopropanol (n-propanol, EG or ethanol) and water adjacent monobenzone were quant. studied by the Inverse Kirkwood-Buff integrals method. The parameters of preferential solvation for the isopropanol (n-propanol, EG or ethanol) were pos. in the isopropanol (n-propanol, EG or ethanol) mixtures in intermediate and alc.-rich compositions, indicating that monobenzone was preferentially solvated by the isopropanol (n-propanol, EG or ethanol). Monobenzone mainly acted as a Lewis acid which interacted with proton-acceptor functional group of the alcs. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Reference of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Reference of 103-16-2

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

Efficient extracellular laccase secretion via bio-designed secretory apparatuses to enhance bacterial utilization of recalcitrant lignin was written by Cao, Lanfang;Lin, Lu;Sui, Haiyan;Wang, Heng;Zhang, Zhichao;Jiao, Nianzhi;Zhou, Jizhong. And the article was included in Green Chemistry in 2021.Synthetic Route of C9H12O3 The following contents are mentioned in the article:

Microbial-driven lignin conversion has a significant impact on the biogeochem. of global ecosystems and biomass utilization. During this process, secretion of extracellular ligninolytic enzymes is the first, essential step, yet there is a significant challenge to the secretion of these high-redox potential enzymes in bacteria, especially in Gram-neg. bacteria. In this study, genome and proteome analyses enabled us to bio-design two types of extracellular secretory apparatus, both of which effectively secreted a heterologous laccase in Pseudomonas putida, up to ~300 U mL-1. Importantly, a strong cooperation between P. putida A514 cells and the extracellular laccase, which was either released to the medium or displayed on the cell surface, was observed to significantly promote cell growth (9 x 1010 CFUs mL-1) and lignin consumption (12.5%). Chem. analyses of lignin further confirmed the effect on lignin utilization. Moreover, we demonstrated that a free laccase-A514 cell system exhibited greater effect on lignin utilization than that of a cell-immobilized laccase complex, which challenges the current view of bacterial polymer catabolism, and suggests the importance of secretory pathways and sufficient reaction surface for lignin biocatalysis. Our study advances the knowledge of secretion mechanisms in Gram-neg. bacteria and provides novel insights into the lignin utilization by extracellular lignolytic enzyme-bacterial cell systems. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1Synthetic Route of C9H12O3).

4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Synthetic Route of C9H12O3

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

Efficient hydrodeoxygenation of phenolic compounds and raw lignin-oil under a temperature-controlled phase-transfer catalysis was written by Yang, Zhi;Luo, Bowen;Shu, Riyang;Tian, Zhipeng;Kang, Yu;Chen, Ying. And the article was included in Fuel in 2021.Electric Literature of C13H12O2 The following contents are mentioned in the article:

An effective binary catalyst by using tungstic acid (H₂WO₄) and Ru/C was employed for the hydrodeoxygenation (HDO) of phenolic compounds and raw lignin-oil. H2WO4 was presented as solid at ambient temperature, but it dissolved at high temperature above 100°C and therefore functioned as an active homogeneous catalyst. This phenomenon resulted in a temperature-controlled phase-transfer behavior in the HDO of phenolic compounds An efficient HDO performance and an exceptional reusability for guaiacol HDO were presented by this bifunctional catalyst, which can be reused more than 10 times with guaiacol conversion and cyclohexane selectivity over 90%. The comparison of traditional liquid organic and mineral acids, as well as solid acids, with H₂WO₄ confirmed the outstanding catalytic performance of H₂WO₄ and highlighted the advantages of H₂WO₄ as a homogeneous catalyst. Besides guaiacol, other phenolic compounds including various monomers and dimers all exhibited good HDO results, with 100% conversion and cycloalkanes selectivity. Moreover, the raw lignin-oil can be efficiently deoxygenated under the catalysis of this bifunctional catalyst 99.3% content of hydrocarbons was obtained in the upgraded lignin-oil, which was promising to be used as fuel directly. This catalytic system has great potential for the industrial application of lignin-oil upgrade. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Electric Literature of C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Electric Literature of C13H12O2

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

Efficient hydrodeoxygenation of phenolic compounds and raw lignin-oil under a temperature-controlled phase-transfer catalysis was written by Yang, Zhi;Luo, Bowen;Shu, Riyang;Tian, Zhipeng;Kang, Yu;Chen, Ying. And the article was included in Fuel in 2021.Recommanded Product: 103-16-2 The following contents are mentioned in the article:

An effective binary catalyst by using tungstic acid (H₂WO₄) and Ru/C was employed for the hydrodeoxygenation (HDO) of phenolic compounds and raw lignin-oil. H2WO4 was presented as solid at ambient temperature, but it dissolved at high temperature above 100°C and therefore functioned as an active homogeneous catalyst. This phenomenon resulted in a temperature-controlled phase-transfer behavior in the HDO of phenolic compounds An efficient HDO performance and an exceptional reusability for guaiacol HDO were presented by this bifunctional catalyst, which can be reused more than 10 times with guaiacol conversion and cyclohexane selectivity over 90%. The comparison of traditional liquid organic and mineral acids, as well as solid acids, with H₂WO₄ confirmed the outstanding catalytic performance of H₂WO₄ and highlighted the advantages of H₂WO₄ as a homogeneous catalyst. Besides guaiacol, other phenolic compounds including various monomers and dimers all exhibited good HDO results, with 100% conversion and cycloalkanes selectivity. Moreover, the raw lignin-oil can be efficiently deoxygenated under the catalysis of this bifunctional catalyst 99.3% content of hydrocarbons was obtained in the upgraded lignin-oil, which was promising to be used as fuel directly. This catalytic system has great potential for the industrial application of lignin-oil upgrade. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Recommanded Product: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Recommanded Product: 103-16-2

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

Disposition of Dietary Polyphenols in Breast Cancer Patient’s Tumors, and Their Associated Anticancer Activity: The Particular Case of Curcumin was written by Avila-Galvez, Maria Angeles;Gonzalez-Sarrias, Antonio;Martinez-Diaz, Francisco;Abellan, Beatriz;Martinez-Torrano, Alejandro Jose;Fernandez-Lopez, Antonio Jose;Gimenez-Bastida, Juan Antonio;Espin, Juan Carlos. And the article was included in Molecular Nutrition & Food Research in 2021.Name: Bisdemethoxycurcumin The following contents are mentioned in the article:

Some polyphenol-derived metabolites reach human breast cancer (BC) tissues at concentrations that induce cell senescence. However, this is unknown for isoflavones, curcuminoids, and lignans. Here, their metabolic profiling in normal (NT) and malignant (MT) mammary tissues of newly-diagnosed BC patients and the tissue-occurring metabolite’s anticancer activity are evaluated. Patients (n = 26) consumed 3 capsules/day (turmeric, red clover, and flaxseed extracts plus resveratrol; 296.4 mg phenolics/capsule) from biopsy-confirmed diagnosis to surgery (5 ± 2 days) or did not consume capsules (n = 13). NT and MT, blood, and urine are analyzed by UPLC-QTOF-MS using targeted metabolomics. Anticancer activity was tested in MCF-7 and MDA-MB-231 BC cells. Mainly phase-II metabolites were detected (108, 84, 49, and 47 in urine, plasma, NT, and MT, resp.). Total metabolite concentrations reached 10.7 ± 11.1 and 2.5 ± 2.4μmol L^-1 in NT and MT, resp. Free curcumin, but not its glucuronide, was detected in the tissues (1.1 ± 1.8 and 0.2 ± 0.2μmol L^-1 in NT and MT, resp.). Breast tissue-occurring metabolite’s antiproliferation was mainly exerted in p53-wild-type MCF-7 cells by curcuminoids through cell cycle arrest, senescence, and apoptosis induction via p53/p21 induction, while isoflavone-derived metabolites exerted estrogenic-like activity. Curcuminoids could be coadjuvants that might help fight BC upon regular consumption. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Name: Bisdemethoxycurcumin).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Name: Bisdemethoxycurcumin

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

Development and clinical trials on anti-inflammatory effect of transdermal patch containing a combination of Kaempferia parviflora and Curcuma longa extracts was written by Tuntiyasawasdikul, Sarunya;Sripanidkulchai, Bungorn. And the article was included in Journal of Drug Delivery Science and Technology in 2022.Electric Literature of C19H16O4 The following contents are mentioned in the article:

Kaempferia parviflora and Curcuma longa have been widely reported to have a potent anti-inflammatory effect. However, both extracts have been shown to have low bioavailability and high-level first pass metabolism upon oral administration. This study aimed to develop transdermal delivery of a combination of both extracts in matrix-patch formulations with five different volatile oils which possess analgesic and anti-inflammatory properties. Fourteen formulations exhibited good physicochem. properties and stability. The release of methoxyflavones increased significantly when the concentration of PVP (polyvinylpyrrolidone) in the patches increased. The drug release kinetics were best-fitted with the zero-order and Higuchi models, depending on the amount of PVP. When combined with Curcuma longa, the patch provided the highest accumulation of methoxyflavones and curcuminoids within the skin. In the clin., randomized controlled trial, a significant pain improvement was found after seven days of application on the pain area. The pain scores decreased from 5.84 ± 1.57 to 2.74 ± 1.37 and the mean pain pressure threshold increased significantly from 1.79 ± 0.51 N to 2.55 ± 0.41 N. Our results indicated that the developed herbal patches were useful for transdermal application and can be considered as an alternative treatment for pain relief, highlighted by a decrease in pain intensity and an increase in pain tolerance, without skin irritation. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Electric Literature of C19H16O4).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Electric Literature of C19H16O4

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

Columnar Liquid-Crystalline Metallomacrocycles was written by Kawano, Shin-ichiro;Ishida, Yukari;Tanaka, Kentaro. And the article was included in Journal of the American Chemical Society in 2015.Computed Properties of C10H22O3 The following contents are mentioned in the article:

The authors report synthesis of novel macrocyclic mols. and their metal complexes as well as their thermotropic columnar liquid-crystalline behavior. The macrocyclic ligands were prepared size-selectively based on dynamic covalent chem. X-ray study of a model macrocycle with short alkyl chains revealed that they were discrete and highly sym., with an inner vacant cavity of 9 Å diameter enclosed by a 56π planar ring composed of four bis(salicylidene)-o-phenylenediamine (salphen) moieties alternating with four carbazoles. Ni²⁺ and Cu²⁺ ions were incorporated into the four salphen ligands and formed square-planar metal complexes inside the macrocycles. From the structural and thermal analyses via x-ray diffraction measurements, DSC, and polarized optical-microscopic observations, the macrocyclic ligand and its metal complexes self-assembled into columnar liquid-crystalline phases depending on the temperature and displayed a highly fluid character over a wide range of temperatures The peripheral alkyl chains were influential in controlling the temperature range and flowability of the liquid-crystalline phases, and the range of the liquid-crystalline temperature of the metallo-macrocycles was significantly higher than those of the metal-free macrocycles. To the best of the authors’ knowledge, these are the first examples of thermotropic columnar liquid crystals of macrocyclic metal complexes with a large hollow area. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Computed Properties of C10H22O3).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Computed Properties of C10H22O3

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

Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands was written by Laffoon, Joshua D.;Chan, Vincent S.;Fickes, Michael G.;Kotecki, Brian;Ickes, Andrew R.;Henle, Jeremy;Napolitano, Jose G.;Franczyk, Thaddeus S.;Dunn, Travis B.;Barnes, David M.;Haight, Anthony R.;Henry, Rodger F.;Shekhar, Shashank. And the article was included in ACS Catalysis in 2019.Recommanded Product: 562085-85-2 The following contents are mentioned in the article:

The authors report the use of biaryl phosphorinanes as ligands for Pd catalyzed cross-coupling reactions. A modular synthesis was developed that employs a double conjugate addition of primary biaryl phosphines into 1,1,5,5-tetraalkyl penta-1,4-diene-3-ones. Notably, this synthesis does not require the use of Cu, a known contaminant in structurally related biaryl phosphine ligands. Using the synthetic strategy described above, the authors synthesized a library of biaryl phosphorinanes, varying their substitution about P and the steric and electronic nature of the biaryl motif. The authors then benchmarked their performance as ligands in Pd-catalyzed cross coupling reactions such as aryl sulfonamidation, aryl alkoxylation, and aryl amination in the presence of soluble organic bases. In each reaction studied, many ligands outperformed biaryl phosphines known to promote the given transformation. Detailed substrate scopes were determined using high throughput screening technol. Several biaryl phosphorinanes and their corresponding Pd(II) oxidative-addition complexes were extensively characterized using NMR spectroscopy and x-ray crystallog. General observations support that biaryl phosphorinanes promote reductive elimination and form robust catalysts with Pd. In many cases the use of these biaryl phosphorinanes may be advantageous over the use of biaryl phosphines with respect to lower catalyst loadings, shorter reaction times, and robustness. This study involved multiple reactions and reactants, such as N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2Recommanded Product: 562085-85-2).

N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Recommanded Product: 562085-85-2

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

Enological properties of red wine produced from native Kosetevek grapes (Vitis vinifera L.) cultivated in Eastern Anatolia was written by Arpa Zemzemoglu, Tuba Eda;Darici, Merve;Cabaroglu, Turgut. And the article was included in European Food Research and Technology in 2021.Formula: C9H12O3 The following contents are mentioned in the article:

The aim of this study was to determine the potential of red wine production from the Kosetevek grape variety (Vitis Vinifera L.) cultivated in Elazig province of Turkey and to define the characteristics of Kosetevek wines. To determine the grapes for wine production quality, the general composition, phenolic compounds, aroma compounds and sensory anal. of the wines were carried out. Aroma compounds were performed by solid-phase extraction (SPE) and then analyzed by gas chromatog. (GC) along with gas chromatog./mass spectrometry (GC/MS). Results showed that the red wines obtained from Kosetevek grapes consisted of 50 aroma compounds for 2014 vintages and 49 aroma compounds for 2015 vintages. Esters were the main components contributing to the Kosetevek wine aroma along with Et hydrogen succinate and ethyl-4-hydroxy butanoate. The amount of total phenolic compounds, total anthocyanin, and the tannin in Kosetevek wines were found to be between 3705.45 and 3015.63 mg/L, 554.25-502.35 mg/L, and 4.5-3.95 g/L at 2014-2015 vintages, resp. As to sensory evaluation, Kosetevek wines were characterized as a deep purple color, middle to high body, and rich in red fruit (cherries, plums), and dried fruit odors. This study has provided enol. properties and aroma characterization of Kosetevek wines. The results of the study showed that Kosetevek wines could be considered as an alternative to other wines obtained from native grape varieties of the region. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1Formula: C9H12O3).

4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Formula: C9H12O3

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

Effects of pressure on lignocellulosic biomass fast pyrolysis in nitrogen and carbon dioxide was written by Cerciello, F.;Apicella, B.;Russo, C.;Cortese, L.;Senneca, O.. And the article was included in Fuel in 2021.Formula: C9H12O3 The following contents are mentioned in the article:

The present study investigates the influence of pressure on the products of fast pyrolysis of a lignocellulosic biomass (Walnut Shells). Experiments were carried out using a special heated strip reactor (HSR) at temperature of 1573 and 2073 K, pressure up to 8 bar and heating rate of 104 K/s. Two atmospheres have been investigated: N₂ and CO₂. Increasing the pressure of heat treatment, the combustion pattern and the average combustion reactivity of the chars change remarkably. Multiple components with different combustion reactivity have been found in the char samples. Upon heat treatment in N₂ the most reactive components are depleted more easily than upon heat treatment in CO₂. Consequently, thermodeactivation is more severe in N₂ than in CO₂. Raman anal. of the chars shows that graphitic order develops only upon heat treatment at 2073 K at the pressure of 2 bar, but not upon heat treatment at 1573 K, not even at the higher pressure investigated (4 and 8 bar). The loss of reactivity induced by pressure is therefore ascribed to changes in the internal distribution of char components. The evolution of the solid components is accompanied by changes in the distribution of aliphatics/methoxy aromatic compounds in the produced tar. The interplay of temperature, pressure, and CO₂ affects both mineral matter and the carbon matrix resulting into a rather complex behavior. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1Formula: C9H12O3).

4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Formula: C9H12O3

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