Month: November 2022

Phenolic Compound Profile by UPLC-MS/MS and Encapsulation with Chitosan of Spondias mombin L. Fruit Peel Extract from Cerrado Hotspot-Brazil was written by Brito, Giovanna Oliveira de;Reis, Bruna Cabral;Ferreira, Eduardo A.;Vilela Junqueira, Nilton T.;Sa-Barreto, Livia C. L.;Mattivi, Fulvio;Vrhovsek, Urska;Gris, Eliana Fortes. And the article was included in Molecules in 2022.Synthetic Route of C20H22O8 The following contents are mentioned in the article:

Tapereba (Spondias mombin L.) is a native species of the Brazilian Cerrado that has shown important characteristics such as a significant phenolic compound content and biol. activities. The present study aimed to characterize the phenolic compound profile and antioxidant activity in tapereba peel extract, as well as microencapsulating the extract with chitosan and evaluating the stability of the microparticles. The evaluation of the profile of phenolic compounds was carried out by UPLC-MS/MS. The in vitro antioxidant activity was evaluated by DPPH and ABTS methods. The microparticles were obtained by spray drying and were submitted to a stability study under different temperatures In general, the results showed a significant content of polyphenols and antioxidant activity. The results of UPLC-MS/MS demonstrated a significant content of polyphenols in tapereba peel, highlighting the high content of ellagic acid and quercetin compounds There was significant retention of phenolic compounds when microencapsulated, demonstrating high retention at all evaluated temperatures This study is the first to microencapsulate the extract of tapereba peel, in addition to identifying and quantifying some compounds in this fruit. This study involved multiple reactions and reactants, such as (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 27208-80-6Synthetic Route of C20H22O8).

(2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 27208-80-6) 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. 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.Synthetic Route of C20H22O8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Walnut pellicle color affects its phenolic composition: Free, esterified and bound phenolic compounds in various colored-pellicle walnuts was written by Wang, Ruohui;Tian, Xin;Li, Qingyang;Liao, Liuwei;Wu, Shutian;Tang, Fubin;Shen, Danyu;Liu, Yihua. And the article was included in Journal of Food Composition and Analysis in 2022.Recommanded Product: (2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol The following contents are mentioned in the article:

Although walnut kernels are a rich source of phenolic compounds, little is known about the profiles of phenolic compound forms in various colored-pellicle walnuts, which may be important for product development and utilization. In this work, the free, esterified and bound forms of phenolic compounds in various colored-pellicle walnuts were identified using ultra-high-performance liquid chromatog. coupled to tandem mass spectrometry (UHPLC-MS/MS). The total phenolics (TPCs) in pellicle, kernel without pellicle and whole kernel (with pellicle) were presented in the free form (62.6%) and bound form (1.30 %-12.2 %). Pos. correlations were found between the TPCs of three forms in pellicle and the pellicle color, with correlation coefficients of 0.920, 0.990 and 0.940. In addition, the phenolic compounds in free form in the whole kernel (with dark pellicle) demonstrated notable advantages in flavanols, flavones and flavonols contents, particularly (+)-catechin (C) (40.7 μg/g) and epicatechin (EC) (25.8g/g), which were 2-153 times higher than other phenolic compounds in free form. Furthermore, the dark group of esterified phenolic acids showed advantages, particularly ellagic acid (428 μg/g) and gallic acid (130 μg/g). This study involved multiple reactions and reactants, such as (2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8Recommanded Product: (2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol).

(2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8) 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.Recommanded Product: (2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Composition of Nonextractable Polyphenols from Sweet Cherry Pomace Determined by DART-Orbitrap-HRMS and Their In Vitro and In Vivo Potential Antioxidant, Antiaging, and Neuroprotective Activities was written by Dominguez-Rodriguez, Gloria;Ramon Vidal, Daniel;Martorell, Patricia;Plaza, Merichel;Marina, Maria Luisa. And the article was included in Journal of Agricultural and Food Chemistry in 2022.Reference of 29106-49-8 The following contents are mentioned in the article:

Sweet cherry pomace is an important source of phenolic compounds with beneficial health properties. As after the extraction of phenolic compounds, a phenolic fraction called nonextractable polyphenols (NEPs) remains usually retained in the extraction residue, alk. and acid hydrolyzes and enzymic-assisted extraction (EAE) were carried out in this work to recover NEPs from the residue of conventional extraction from sweet cherry pomace. In vitro and in vivo evaluation of the antioxidant, antihypertensive, antiaging, and neuroprotective capacities employing Caenorhabditis elegans was achieved for the first time. Extractable phenolic compounds and NEPs were separated and identified by families by high-performance thin-layer chromatog. (HPTLC) with UV/Vis detection. A total of 39 phenolic compounds were tentatively identified in all extracts by direct anal. in real-time high-resolution mass spectrometry (DART-Orbitrap-HRMS). EAE extracts presented the highest in vitro and in vivo antioxidant capacity as well as the highest in vivo antiaging and neuroprotective capacities. These results showed that NEPs with interesting biol. properties are retained in the extraction residue, being usually underestimated and discarded. This study involved multiple reactions and reactants, such as (2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8Reference of 29106-49-8).

(2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8) 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. 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.Reference of 29106-49-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Transition metal complexes with thiosemicarbazide-based ligands. Part 61. Comparative analysis of structural properties of the pyridoxal thiosemicarbazone ligands. Crystal structure of PLTSC·HCl·2H₂O and its complex [Fe(PLTSC)Cl₂(H₂O)]Cl was written by Ivkovic, Sonja A.;Vojinovic-Jesic, Ljiljana S.;Leovac, Vukadin M.;Rodic, Marko V.;Novakovic, Sladjana B.;Bogdanovic, Goran A.. And the article was included in Structural Chemistry in 2015.Application In Synthesis of 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride The following contents are mentioned in the article:

A novel pyridoxal thiosemicarbazone (PLTSC) compound, exhibiting ligating properties, PLTSC·HCl·2H₂O (1) was synthesized and characterized by x-ray anal. The PLTSC ligand 1 displays significantly different conformation in comparison to the five previously reported compounds of this type. The structural properties of six PLTSC ligands in different conformations were compared to establish the structural differences and understand the factors that facilitate particular conformations. The anal. indicated great structural flexibility of the PLTSC ligands. The PLTSC ligand 1 is essentially a planar mol. with the root-mean-square deviation of all non-H atoms equal to 0.06 Å. Consequently, the mols. of 1 form a layered three-dimensional structure which is stabilized by a variety of H bonds: O-H···O, O-H···N, O-H···Cl, O-H···S, N-H···O, N-H···N, N-H···Cl, N-H···S. The crystal structure of the Fe(III) complex with the ligand 1 [Fe(PLTSC)Cl₂(H₂O)]Cl was resolved by single-crystal x-ray anal. and structural properties of this octahedral complex are discussed and compared to those of uncoordinated PLTSC ligand. This study involved multiple reactions and reactants, such as 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5Application In Synthesis of 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride).

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5) 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. 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.Application In Synthesis of 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Evasion of the accelerated blood clearance phenomenon by polysarcosine coating of liposomes was written by Son, Kon;Ueda, Motoki;Taguchi, Kazuaki;Maruyama, Toru;Takeoka, Shinji;Ito, Yoshihiro. And the article was included in Journal of Controlled Release in 2020.Reference of 923-61-5 The following contents are mentioned in the article:

Using polyethylene glycol (PEG) to functionalize liposomes improves their stealth properties and stability in blood. However, PEG is known to induce the accelerated blood clearance (ABC) phenomenon, which occurs for multiple doses owing to anti-PEG IgM being produced after the initial injection. In this study, as an alternative to PEG, polysarcosine (PSar) was selected owing to its low antigenicity and its highly dense chains with controllable lengths, similar to PEG. Furthermore, we directly evaluate the potential of PSar for avoiding the ABC phenomenon by comparing PSar with PEG on the same liposome platform, which has similar physicochem. properties such as hydrophobic region, membrane fluidity, and size. PEG- and PSar-liposomes were prepared and characterized for comparison. PSar-liposomes showed similar physicochem. properties to PEG-liposomes in terms of size control, zeta potential, membrane polarity, and fluidity; however, ELISA results showed noticeably lower levels and faster production speeds of both IgM and IgG for PSar-liposomes than for PEG-liposomes. In addition, a pharmacokinetics experiment with multiple injections showed that PSar-PE coating of liposomes may help to circumvent the ABC phenomenon. This study involved multiple reactions and reactants, such as (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5Reference of 923-61-5).

(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5) 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. 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.Reference of 923-61-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

C-O band structure modified broad spectral response carbon nitride with enhanced electron density in photocatalytic peroxymonosulfate activation for bisphenol pollutants removal was written by Tong, Chun;Jing, Liquan;Xie, Meng;He, Minqiang;Liu, Ying;Yuan, Junjie;Song, Yanhua;Xu, Yuanguo. And the article was included in Journal of Hazardous Materials in 2022.Computed Properties of C13H12O2 The following contents are mentioned in the article:

Here, a simple one-step calcination method uses glycolic acid (GA) and urea to synthesize C-O band structure modified carbon nitride with broad spectral response, which is used to construct a peroxymonosulfate/visible light (PMS/vis) system. The solid-state ¹³C NMR proved that C-O band structure was successfully introduced into the carbon nitride. D. functional theory (DFT) calculation show that the introduction of C-O band structure shortens the band gap of 0.05 g GA modified CN (0.05 GA-CN). Besides, UPS (UPS) further illustrate that the 0.05 GA-CN has a higher charge d. and promotes the degradation of pollutants. In PMS/vis system, 0.05 GA-CN can completely degrade bisphenol A (BPA) within 36 min. In addition, 0.05 GA-CN can also degrade bisphenol E (BPE) and bisphenol F (BPF). The cyclic voltammetry (CV) curve show that the introduction of C-O band structure enhances the activation ability of PMS. At the same time, 0.05 GA-CN/PMS has enhanced the activity of degrading BPA under blue light (450-462 nm), green light (510-520 nm) and red light (610-625 nm). This research provides a new method to synthesize carbon nitride with enhanced electron d. for degradation of bisphenol pollutants in PMS/vis system. This study involved multiple reactions and reactants, such as 4,4′-Methylenediphenol (cas: 620-92-8Computed Properties of C13H12O2).

4,4′-Methylenediphenol (cas: 620-92-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Computed Properties of C13H12O2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Engineering Citrobacter freundii using CRISPR/Cas9 system was written by Alfaro, Trinidad;Elmore, Joshua R.;Stromberg, Zachary R.;Hutchison, Janine R.;Hess, Becky M.. And the article was included in Journal of Microbiological Methods in 2022.HPLC of Formula: 367-93-1 The following contents are mentioned in the article:

The CRISPR/Cas9 (clustered regularly interspaced short palindromic repeats/CRISPR associated proteins) system is a useful tool to edit genomes quickly and efficiently. However, the use of CRISPR/Cas9 to edit bacterial genomes has been limited to select microbial chassis primarily used for bioprodn. of high value products. Thus, expansion of CRISPR/Cas9 tools to other microbial organisms is needed. Here, our aim was to assess the suitability of CRISPR/Cas9 for genome editing of the Citrobacter freundii type strain ATCC 8090. We evaluated the commonly used two plasmid pCas/pTargetF system to enable gene deletions and insertions in C. freundii and determined editing efficiency. The CRISPR/Cas9 based method enabled high editing efficiency (∼91%) for deletion of galactokinase (galk) and enabled deletion with various single guide RNA (sgRNA) sequences. To assess the ability of CRISPR/Cas9 tools to insert genes, we used the fluorescent reporter mNeonGreen, an endopeptidase (yebA), and a transcriptional regulator (xylS) and found successful insertion with high efficiency (81-100%) of each gene individually. These results strengthen and expand the use of CRISPR/Cas9 genome editing to C. freundii as an addnl. microbial chassis. This study involved multiple reactions and reactants, such as (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol (cas: 367-93-1HPLC of Formula: 367-93-1).

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol (cas: 367-93-1) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.HPLC of Formula: 367-93-1

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bisphenols induce human genomic damage and modulate HERVs /env expression was written by Ruberto, Stefano;Santovito, Alfredo;Simula, Elena R.;Noli, Marta;Manca, Maria A.;Sechi, Leonardo A.. And the article was included in Environmental and Molecular Mutagenesis in 2022.Recommanded Product: 620-92-8 The following contents are mentioned in the article:

Bisphenol A (BPA), a recognized endocrine-disrupting chem., is used in the production of epoxy and polycarbonate resins. Since human exposure to BPA has been associated with increased cancer susceptibility, the market has shifted to products often labeled as “BPA free” containing BPA analogs such as bisphenol F (BPF) and bisphenol S (BPS). However, the European legislation on BPF and BPS is still unclear. This study analyzed the effects of BPA, BPF, and BPS exposure on human peripheral blood mononuclear cells by using in vitro micronucleus assay. Furthermore, it investigated the impact of bisphenols exposure on human endogenous retroviruses (HERVs) expression, which is implicated with the pathogenesis of several human diseases. The micronucleus assay revealed a significant genotoxic effect in peripheral blood cells after exposure to BPA and BPF at concentrations of 0.1, 0.05, and 0.025μg/mL, and to BPS at 0.1 and 0.05μg/mL. In addition, BPA exposure seems to upregulate the expression of HERVs, while a downregulation was observed after BPF and BPS treatments. Overall, our data showed the toxic effect of BPA and its analogs on circulating cells in the blood and demonstrated that they could modulate the HERVs expression. This study involved multiple reactions and reactants, such as 4,4′-Methylenediphenol (cas: 620-92-8Recommanded Product: 620-92-8).

4,4′-Methylenediphenol (cas: 620-92-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Recommanded Product: 620-92-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Integration of transcriptomics and metabolomics reveals the antitumor mechanism underlying tadalafil in colorectal cancer was written by Zhao, Pan;Shen, Yao;Li, Mengyang;Dan, Hanjun;Zhao, Zhiming;Zhang, Jian. And the article was included in Frontiers in Pharmacology in 2022.Computed Properties of C37H74NO8P The following contents are mentioned in the article:

The potential role of tadalafil, a PDE5 inhibitor, in anticancer activity and prolonged survival has been proposed. However, the systematic effects of tadalafil in colorectal cancer were not fully understood. In this study, we assessed the anti-tumor activity of tadalafil in human colorectal cancer cells. A systematic perspective of the tadalafil-induced anti-tumor mechanism was provided by the integration of transcriptomics and metabolomics. We found that differentially expressed genes (DEGs) were mainly involved in microRNAs in cancer, purine metabolism, glycosphingolipid biosynthesis, arginine biosynthesis, and amino acid metabolism Amino acid metabolism, especially alanine, aspartate, and glutamate metabolism was the most of the differentially accumulated metabolites (DAMs) through the anal. of metabolomics. The conjoint anal. of DEGs and DAMs presented that they were also mainly involved in alanine, aspartate, and glutamate metabolism Amino acid metabolism-related genes, GPT, GGT5, and TAT, were significantly decreased after tadalafil treatment. In particular, the disturbance of alanine, aspartate, and glutamate metabolism may be the explanation for the major mechanism resulting from tadalafil anti-tumor activity. This study involved multiple reactions and reactants, such as (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5Computed Properties of C37H74NO8P).

(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5) 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.Computed Properties of C37H74NO8P

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The anticonvulsant action of 2,2-diethyl-1,3-propanediol and some of its homologs and esters was written by Berger, F. M.;Ludwig, B. J.. And the article was included in Journal of Pharmacology and Experimental Therapeutics in 1950.Synthetic Route of C9H20O2 The following contents are mentioned in the article:

cf. C.A. 43, 8546g. 2,2-Diethyl-1,3-propanediol (I) strongly antagonizes the convulsant and lethal effects of metrazole, strychnine, and picrotoxin. These antagonistic effects occur with doses which do not exert a hypnotic or anesthetic action. I can be effectively administered enterally or parenterally. Its duration of action is short. I does not affect spinal reflexes and has little action on the spinal cord. It acts by a depressant effect on the forebrain and midbrain. I is partly conjugated in the body as an ether type glucuronide. Another portion is oxidized to α,α-diethylhydracrylic acid (II), m. 62.5°, n⁶⁵_D 1.4458. The further oxidation product, diethylmalonic acid (III) was not found in the urine of patients receiving I. II and III in doses of 400 mg./kg. had no anticonvulsant action. The 2,2-dimethyl, 2-methyl-2-ethyl, 2-methyl-2-propyl, 2-methyl-2-isopropyl, 2-methyl-2-butyl, 2-ethyl-2-butyl, 2-ethyl-2-phenyl, 2,2-dipropyl, and 2,2-dibutyl homologs of I showed an anticonvulsant activity of a similar order to that of I. None had a longer duration of action. I diacetate had a less intense but more prolonged action than I. I monoacetate, succinate, and dibenzoate showed no advantage over I. This study involved multiple reactions and reactants, such as 2-Butyl-2-ethylpropane-1,3-diol (cas: 115-84-4Synthetic Route of C9H20O2).

2-Butyl-2-ethylpropane-1,3-diol (cas: 115-84-4) 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. 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.Synthetic Route of C9H20O2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts