Month: November 2022

Towards replacement of animal tests with in vitro assays: a gene expression biomarker predicts in vitro and in vivo estrogen receptor activity was written by Corton, J. Christopher;Liu, Jie;Kleinstreuer, Nicole;Gwinn, Maureen R.;Ryan, Natalia. And the article was included in Chemico-Biological Interactions in 2022.SDS of cas: 620-92-8 The following contents are mentioned in the article:

High-throughput transcriptomics (HTTr) has the potential to support efforts to reduce or replace some animal tests. In past studies, we described a computational approach utilizing a gene expression biomarker consisting of 46 genes to predict estrogen receptor (ER) activity after chem. exposure in ER-pos. human breast cancer cells including the MCF-7 cell line. We hypothesized that the biomarker model could identify ER activities of chems. examined by Endocrine Disruptor Screening Program (EDSP) Tier 1 screening assays in which transcript profiles of the same chems. were examined in MCF-7 cells. For the 62 chems. examined including 5 chems. examined in this study using RNA-Seq, the ER biomarker model accuracy was 1) 97% for in vitro reference chems., 2) 76-85% for guideline uterotrophic assays, and 3) 87-88% for guideline and nonguideline uterotrophic assays. For the same chems., these accuracies were similar or slightly better than those of the ToxCast ER model based on 18 in vitro assays. The performance of the ER biomarker model indicates that HTTr interpreted using the ER biomarker correctly identifies active and inactive ER reference chems. As part of the HTTr screening program the approach could rapidly identify chems. with potential ER bioactivities for addnl. screening and testing. This study involved multiple reactions and reactants, such as 4,4′-Methylenediphenol (cas: 620-92-8SDS of cas: 620-92-8).

4,4′-Methylenediphenol (cas: 620-92-8) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. 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.SDS of cas: 620-92-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Administration Time Significantly Affects Plasma Bioavailability of Grape Seed Proanthocyanidins Extract in Healthy and Obese Fischer 344 Rats was written by Escobar-Martinez, Ivan;Arreaza-Gil, Veronica;Muguerza, Begona;Arola-Arnal, Anna;Bravo, Francisca Isabel;Torres-Fuentes, Cristina;Suarez, Manuel. And the article was included in Molecular Nutrition & Food Research in 2022.Name: (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:

Phenolic compounds are bioactive mols. that are associated with several health benefits. Metabolization and absorption are the main determinants of their bioavailability and bioactivity. Thus, the study of the factors that modulate these processes, such as sex or diet is essential. Recently, it has been shown that biol. rhythms may also play a key role. Hence, the aim of this study is to evaluate if the bioavailability of a grape proanthocyanidin extract (GSPE) is affected by the administration time in an animal model of metabolic syndrome (MetS). Methods and Results : Female and male Fischer 344 rats are fed either a standard or a cafeteria diet (CAF) for 9 wk, and an oral dose of GSPE (25 mg kg-1) is daily administered either at 8:00 am (zeitgeber time (ZT)-0) or at 8:00 pm (ZT-12) during the last 4 wk. Plasma phenolic compounds are then quantified by liquid chromatog./electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS). Phase-II and gut microbiota-derived phenolic metabolites are affected by ZT in all conditions or only in obese rats, resp. CAF feeding affected the bioavailability of phenolic acids and free flavan-3-ols. Differences due to sex are also observed These findings demonstrate that ZT, diet, and sex are key factors influencing phenolic compounds bioavailability. 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: 29106-49-8Name: (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. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Name: (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

Downregulation of MMP1 expression mediates the anti-aging activity of Citrus sinensis peel extract nanoformulation in UV induced photoaging in mice was written by Amer, Reham I.;Ezzat, Shahira M.;Aborehab, Nora M.;Ragab, Mai F.;Mohamed, Dalia;Hashad, Amira;Attia, Dalia;Salama, Maha M.;El Bishbishy, Mahitab H.. And the article was included in Biomedicine & Pharmacotherapy in 2021.COA of Formula: C20H22O8 The following contents are mentioned in the article:

Aging of the skin is a complicated bioprocess that is affected by constant exposure to UV irradiation The application of herbal-based anti-aging creams is still the best choice for treatment. In the present study, Citrus sinensis L. fruit peels ethanolic extract (CSPE) was formulated into lipid nanoparticles (LNPs) anti-aging cream. Eight different formulations of CSEP-LNPs were prepared and optimized using 23 full factorial designs. In vivo antiaging effect of the best formula was tested in Swiss albino mice where photo-aging was induced by exposure to UV radiation. HPLC-QToF-MS/MS metabolic profiling of CSPE led to the identification of twenty-nine metabolites. CSPE was standardized to a hesperidin content of 15.53 ± 0.152 mg% using RP-HPLC. It was suggested that the optimized formulation (F7) had (245 nm) particle size, (91.065%) EE, and (91.385%) occlusive effect with a spherical and smooth surface. The visible appearance of UV-induced photoaging in mice was significantly improved after topical application on CSPE-NLC cream for 5 wk, levels of collagen and SOD were significantly increased in CSPE- NLC group, while levels of PGE2, COX2, JNK, MDA, and elastin was reduced. Finally, The prepared anti-aging CSPE-NLC cream represents a safe, convenient, and promising skincare cosmetic product. 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: 27208-80-6COA of Formula: 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. 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.COA of Formula: C20H22O8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pressure Effects on Self-Assembly in Mixtures Containing Zwitterionic Amphiphiles was written by Zhao, Mingge;Li, Xiang;Cho, Junhan. And the article was included in Langmuir in 2021.HPLC of Formula: 923-61-5 The following contents are mentioned in the article:

To understand the responses of self-assembly in mixtures containing zwitterionic amphiphilic chains to high pressure, we introduce a SCF theory in combination with a mol. equation-of-state model for them in a primitive way. The free energy d. for those in the bulk state is first formulated. Its locally equilibrated excess part is then incorporated into Edwards Hamiltonian along with the electrostatic energy contributions to elicit the saddle point approximation to the partition function with proper SCF equations. It is shown that charge-charge correlations enhance self-assembling tendency for the amphiphiles with the opposite charges on one component side, as the medium dielec. constant ε_r decreases. Those with the opposite charges at the two chain ends respond in a more complicated way to ε_r. Densification by applied pressure strengthens the self-assembly for both at a moderate ε_r, similar to typical phospholipids, but pressure effects are strongly dependent on the position of charges along the chains at a lower ε_r. It is argued that the manipulation of the dielec. environment and disparity in component dispersion interactions can yield useful materials exhibiting various types of baroresponsivity or thermoresponsivity with re-entrant self-assembly. This study involved multiple reactions and reactants, such as (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5HPLC of Formula: 923-61-5).

(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. 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.HPLC of Formula: 923-61-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Exploring a cocoa-carob blend as a functional food with decreased bitterness: Characterization and sensory analysis was written by Garcia-Diez, Esther;Sanchez-Ayora, Helena;Blanch, Maria;Ramos, Sonia;Martin, Maria Angeles;Perez-Jimenez, Jara. And the article was included in LWT–Food Science and Technology in 2022.Application of 29106-49-8 The following contents are mentioned in the article:

Cumulative evidence indicates the relevance of cocoa in the modulation of cardiometabolic diseases. Nevertheless, pure cocoa may be rejected by many consumers due to its bitter taste. Carob (Ceratonia siliqua L.) is a Mediterranean legume with pods rich in dietary fiber and polyphenols. In this study, carob flour was combined with cocoa, to obtain a blend which was subjected to nutritional evaluation (proximate composition carbohydrate and fatty acid profiles, phytochem. composition dietary fiber properties, antioxidant capacity) and sensory anal. in order to determine whether it may be a suitable alternative to com. sugar-rich soluble cocoa powders. The blend showed a high content of dietary fiber (56%), methylxanthines and polyphenols (55% as non-extractable proanthocyanidins). The product had good solubility and was less bitter than cocoa, as evaluated in sensory anal. thereby suggesting that this blend may be acceptable to consumers, particularly when information about potential biol. activity is provided (a significant improvement in taste evaluation was observed). The beneficial environmental impact of carob and the advantages of valorizing the commonly discarded carob pod mean that further studies of applications of this blend and its potential health effects would be of great interest. 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: 29106-49-8Application 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. 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.Application of 29106-49-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Comparative Metabolome and Transcriptome Analysis of Anthocyanin Biosynthesis in White and Pink Petals of Cotton (Gossypium hirsutum L.) was written by Shao, Dongnan;Liang, Qian;Wang, Xuefeng;Zhu, Qian-Hao;Liu, Feng;Li, Yanjun;Zhang, Xinyu;Yang, Yonglin;Sun, Jie;Xue, Fei. And the article was included in International Journal of Molecular Sciences in 2022.COA of Formula: C30H26O12 The following contents are mentioned in the article:

Upland cotton (Gossypium hirsutum L.) is one of the important fiber crops. Cotton flowers usually appear white (or cream-colored) without colored spots at the petal base, and turn pink on the next day after flowering. In this study, using a mutant showing pink petals with crimson spots at their base, we conducted comparative metabolome and transcriptome analyses to investigate the mol. mechanism of coloration in cotton flowers. Metabolic profiling showed that cyanidin-3-O-glucoside and glycosidic derivatives of pelargonidins and peonidins are the main pigments responsible for the coloration of the pink petals of the mutant. A total of 2443 genes differentially expressed (DEGs) between the white and pink petals were identified by RNA-sequencing. Many DEGs are structural genes and regulatory genes of the anthocyanin biosynthesis pathway. Among them, MYB21, UGT88F3, GSTF12, and VPS32.3 showed significant association with the accumulation of cyanidin-3-O-glucoside in the pink petals. Taken together, our study preliminarily revealed the metabolites responsible for the pink petals and the key genes regulating the biosynthesis and accumulation of anthocyanins in the pink petals. The results provide new insights into the biochem. and mol. mechanism underlying anthocyanin biosynthesis in upland cotton. 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: 29106-49-8COA of Formula: C30H26O12).

(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. 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.COA of Formula: C30H26O12

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis, structure and in vitro biological activity of pyridoxal N(4)-substituted thiosemicarbazone cobalt(III) complexes was written by Manikandan, Rajendran;Vijayan, Paranthaman;Anitha, Panneerselvam;Prakash, Govindan;Viswanathamurthi, Periasamy;Butcher, Ray Jay;Velmurugan, Krishnaswamy;Nandhakumar, Raju. And the article was included in Inorganica Chimica Acta in 2014.Product Details of 65-22-5 The following contents are mentioned in the article:

Cobalt(III) complexes containing pyridoxal N(4)-substituted thiosemicarbazone ligands with the composition [Co(HL^1-2·Cl)(HL^1-2·H₂O)] (1–2) were synthesized from the reaction of [CoCl₂(PPh₃)₂] and pyridoxal N-methyl-thiosemicarbazone hydrochloride (H₃L¹·Cl)/pyridoxal N-phenyl-thiosemicarbazone hydrochloride (H₃L²·Cl). The richness of the coordination chem. of this ligand is highlighted by the modulation of its charge from neutral (H₃L·Cl) (L) to dianionic (HL·Cl) (L^2-) and monoanionic forms (HL·H₂O) (L^–) and coordinated as tridentate bineg. mode around cobalt(III) ion by forming neutral complex. The new complexes were characterized by various anal. and spectroscopic techniques (IR, electronic, ¹H NMR and ESI-Mass). The x-ray crystal structure of the complex 2, demonstrated distorted octahedral coordination geometry around the metal center. Further, the study of effect of substitution (CH₃ or Ph) on terminal N(4)-nitrogen of thiosemicarbazone exhibited its influence on the potential binding and cleavage ability with DNA, BSA binding, free radical scavenging and cytotoxicity. This study involved multiple reactions and reactants, such as 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5Product Details of 65-22-5).

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5) 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. 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.Product Details of 65-22-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cu(II) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity was written by Mondal, Satyajit;Chakraborty, Moumita;Mondal, Antu;Pakhira, Bholanath;Blake, Alexander J.;Sinn, Ekkehard;Chattopadhyay, Shyamal Kumar. And the article was included in New Journal of Chemistry in 2018.Related Products of 65-22-5 The following contents are mentioned in the article:

Two new Cu(II) complexes [Cu(L₁)(N₃)] (1) and [Cu(L₁)(NCS)]_n (2), where HL₁ ((E)-4-((2(dimethylamino)ethylimino)methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol) is an N,N,O-donor Schiff base ligand, were synthesized. These complexes were characterized from their spectroscopic, electrochem., and other physicochem. properties. X-ray crystal structure determination reveals that in complex 1, Cu(II) is in a square planar geometry with the N,N,O-donor ligand and a terminally coordinated azide ion. In complex 2, however, Cu(II) has a square pyramidal geometry, and apart from the tridentate Schiff base ligand there is a thiocyanate ion, which acts in a μ_1,3-bridging mode, connecting the adjacent Cu(II) atoms in an axial-equatorial fashion forming a one dimensional chain. Cyclic voltammetry shows that the complexes undergo Cu(II)/Cu(I) reductions at -0.40 to -0.55 V followed by imine reduction at ∼-0.7 V. Cu(I)/Cu(0) reduction is observed at ∼-0.9 V. Complex 1 also shows appreciable catalytic activity for the aerial oxidation of 3,5 DTBCH₂ to DTBQ (catecholase activity). Both the complexes also show strong binding affinity towards calf-thymus DNA. This study involved multiple reactions and reactants, such as 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5Related Products of 65-22-5).

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Related Products of 65-22-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Crystal structure, spectroscopic, DNA binding studies and DFT calculations of a Zn(II) complex was written by Mondal, Satyajit;Chakraborty, Moumita;Mondal, Antu;Pakhira, Bholanath;Mukhopadhyay, Subhra Kanti;Banik, Avishek;Sengupta, Swaraj;Chattopadhyay, Shyamal Kumar. And the article was included in New Journal of Chemistry in 2019.Product Details of 65-22-5 The following contents are mentioned in the article:

Herein the authors report, a mononuclear, highly fluorescent zinc(II) complex Zn(L)(N₃)(H₂O) (1) that was prepared by an easy “one pot” method, in which the tridentate Schiff base ligand (E)-4-((2-(dimethylamino)ethylimino)methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol (HL) was generated in situ. The compound was characterized by various spectroscopic techniques, and its structure was determined by single crystal x-ray diffraction studies. DFT calculations were used to understand the electronic structures of the ligand and the complex, and TD-DFT calculations were performed to interpret the nature of the electronic transitions observed in their UV-visible spectra. In the complex, Zn(II) is pentacoordinated with one azide ligand, an aqua ligand and a monoanionic tridentate N,N,O-donor ligand. In an aqueous methanol (1 : 9 by volume) solution, at the physiol. pH (0.01 M Tris-HCl buffer, pH 7.4), compound 1 exhibits an intense greenish blue fluorescence (λ_ex 390 nm, λ_em 462 nm), whose intensity is ∼17-fold stronger than that of the free ligand. Compound 1 is found to show significant DNA binding activity. The pyridoxal appended tridentate ligand can be used for the bio-imaging of Zn(II). This study involved multiple reactions and reactants, such as 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5Product Details of 65-22-5).

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5) 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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Product Details of 65-22-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Essential oil composition of ′WW-B.Dahl′ old world bluestem (Bothriochloa bladhii) grown in the Texas High Plains was written by Bhandari, Krishna B.;West, C. P.;Klein, D.;Subbiah, S.;Surowiec, K.. And the article was included in Industrial Crops and Products in 2019.Recommanded Product: 106-21-8 The following contents are mentioned in the article:

Bothriochloa spp. include aromatic grasses that produce essential oils. Some of these grasses are reported to repel economically important insects. Leaves, stems, and seedheads of ′WW-B. Dahl′ old world bluestem [Bothriochloa bladhii (Retz) S.T. Blake] were sampled during 3 years. Quant. anal. by GC and GC-MS methods revealed a total of 172 compounds from methylation method, and 105 compounds from steam distillation method. Acorenone-B [spiro[4.5]dec-6-en-8-one, 1,7-dimethyl-4-(1-methylethyl)-] was in greatest concentration in both methods; however, this compound was detected on only one date (12 August) out of three collection dates extracted by steam distillation Twenty-two compounds were detected by simple solvent extraction, in which acorenone-B was in greatest concentration in seedheads and least in stems. Diethylhexyl adipate was in highest concentration in stems and least in seedheads among the oils extracted by simple solvent. Camphene and limonene were present in the samples that contained seedheads. Naphthalene, a known insect deterrent, was detected in oils extracted from all methods and in all plant parts. Old world bluestem grass contained measurable amounts of essential oils that may be associated with previously observed repellency of red imported fire ants (Solenopsis invicta Buren). This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8Recommanded Product: 106-21-8).

3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Recommanded Product: 106-21-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts