Author: tianli

Chelcea, Ioana published the artcilePhysiologically Based Toxicokinetic Modeling of Bisphenols in Zebrafish (Danio rerio) Accounting for Variations in Metabolic Rates, Brain Distribution, and Liver Accumulation, Name: 4,4′-Sulfonyldiphenol, the publication is Environmental Science & Technology (2022), 56(14), 10216-10228, database is CAplus and MEDLINE.

Bisphenol A (BPA) is an industrial chem., which has raised human health and environmental concerns due to its endocrine-disrupting properties. BPA analogs are less well-studied despite their wide use in consumer products. These analogs have been detected in water and aquatic organisms around the world, with some analogs showing toxic effects in various species including fish. Here, we present novel organ-specific time-course distribution data of bisphenol Z (BPZ) in female zebrafish (Danio rerio), including concentrations in the ovaries, liver, and brain, a rarely sampled organ with high toxicol. relevance. Furthermore, fish-specific in vitro biotransformation rates were determined for 11 selected bisphenols. A physiol. based toxicokinetic (PBTK) model was adapted for four of these bisphenols, which was able to predict levels in the gonads, liver, and brain as well as the whole body within a 2-5-fold error with respect to exptl. data, covering several important target organs of toxicity. In particular, predicted liver concentrations improved compared to currently available PBTK models. Predicted data indicate that studied bisphenols mainly distribute to the carcass and gonads and less to the brain. Our model provides a tool to increase our understanding on the distribution and kinetics of a group of emerging pollutants.

Environmental Science & Technology published new progress about 80-09-1. 80-09-1 belongs to alcohols-buliding-blocks, auxiliary class Ploymers, name is 4,4′-Sulfonyldiphenol, and the molecular formula is C12H10O4S, Name: 4,4′-Sulfonyldiphenol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Hermida-Merino, Daniel published the artcileEnhancement of microphase ordering and mechanical properties of supramolecular hydrogen-bonded polyurethane networks, Quality Control of 622-40-2, the publication is Polymer Chemistry (2018), 9(24), 3406-3414, database is CAplus.

The improvement of the mech. properties of supramol. polymer networks is currently receiving significant interest both within academic and industrial circles in order to enable the application of these desirable stimuli-responsive materials in real world situations. In this study, structural units within phase separated supramol. polyurethane (SPU) networks have been changed to assess the role of the hard segment composition on the mech. characteristics of the resultant materials. Notably, increasing the degrees of conformational freedom within the hard segment component of a SPU was found to improve the phase separation and as a consequence also increase the storage modulus of the polymer network. Specifically, replacing 4,4′-methylene di-Ph diisocyanate with 4,4′-dibenzyl diisocyanate within a SPU improved the packing efficiency of the isocyanate derived hard segments and improved the phys. properties of the supramol. polymer network. This study utilized a combination of SAXS, WAXS and AFM anal. to assess the degree of crystallinity within the hard segment component of the polymer network while rheol. anal. was used to establish the mech. characteristics of the polymers.

Polymer Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C6H13NO2, Quality Control of 622-40-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Okunlola, Adenike published the artcileMicrosphere formulations of ambroxol hydrochloride: influence of Okra (Abelmoschus esculentus) mucilage as a sustained release polymer, SDS of cas: 23828-92-4, the publication is Progress in Biomaterials (2020), 9(1-2), 65-80, database is CAplus and MEDLINE.

Ambroxol hydrochloride (AH), a secretion-releasing expectorant, is a good candidate for sustained delivery. Mucilages are biodegradable, inexpensive carriers in microsphere formulations. The study aimed to prepare microspheres of AH using Okra mucilage obtained from pods of Abelmoschus esculentus combined with sodium alginate at various polymer/drug ratios. Okra mucilage was characterized for morphol., swelling, viscosity and flow properties. AH microspheres were prepared by ionic emulsification method and characterized using size, entrapment efficiency, swelling index and dissolution time (t₅₀). A full 2 by 3 factorial exptl. design using three factors (Okra mucilage/alginate ratio X₁; drug/polymer ratio X₂; and polymer concentration X₃), each at two levels, was used to determine the effects of formulation variables on the responses. Optimized formulations of AH microspheres had sizes ranging from 250.91 ± 16.22 to 462.10 ± 23.85μm; swelling index 1.35 ± 0.05 and 3.20 ± 0.03 and entrapment 55.70 ± 3.55-94.11 ± 4.50%. The microspheres exhibited sustained release of AH over a prolonged period as revealed by the dissolution time (t₅₀) 2.85 ± 1.03-7.50 ± 0.96 h. Drug release kinetics generally followed zero order, implying that the process is constant and independent of the initial concentration of drug. Polymer concentration had the highest influence on microsphere size, entrapment efficiency and dissolution time while Okra/alginate ratio had the highest influence on swelling. Okra mucilage was a suitable polymer that could serve as an alternative to synthetic polymers in sustaining the release of ambroxol hydrochloride.

Progress in Biomaterials published new progress about 23828-92-4. 23828-92-4 belongs to alcohols-buliding-blocks, auxiliary class Membrane Transporter/Ion Channel,Sodium Channel, name is trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride, and the molecular formula is C13H19Br2ClN2O, SDS of cas: 23828-92-4.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ishidate, Motoi Jr. published the artcileChromosome tests with 134 compounds on Chinese hamster cells in vitro – a screening for chemical carcinogens, Formula: C8H19NO, the publication is Mutation Research, Genetic Toxicology Testing (1977), 48(3-4), 337-53, database is CAplus.

Chromosomal aberration tests in vitro were carried out on Chinese hamster cells grown in culture with various chems., including carcinogenic N-nitroso compounds and their related derivatives, food additives, medical drugs, pesticides and other chems. commonly used in laboratories or industries. Of the 134 chems. tested, 63 gave neg. results in the test system even with doses at which the cell growth was markedly inhibited. Nearly all compounds known to be mutagenic in bacteria were also pos. in this system. Both urethane [51-79-6] and diethylstilbestrol [56-53-1] were pos., even though they are known to be carcinoenic but not mutagenic in bacteria. Compounds such as N-alkyl-N’-nitrogunidines, barbital [57-44-3], Na benzoate [532-32-1], saccharin sodium [128-44-9], NaNO2, NaNO3, and 4-aminoquinoline-1-oxide [2508-86-3] were pos. in the chromosome tests, but they have not been conclusively tested for their carcinogenicity.

Mutation Research, Genetic Toxicology Testing published new progress about 4543-95-7. 4543-95-7 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 4-(Butylamino)butan-1-ol, and the molecular formula is C8H19NO, Formula: C8H19NO.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Kobenan, Koffi Christophe published the artcileChemical Composition, Antioxidant Activity, Cholinesterase Inhibitor and in Vitro Insecticidal Potentiality of Essential Oils of Lippia multiflora Moldenke and Eucalyptus globulus Labill. on the Main Carpophagous Pests of Cotton Plant in Ivory Coast, Application In Synthesis of 106-25-2, the publication is Chemistry & Biodiversity (2022), 19(4), e202100993, database is CAplus and MEDLINE.

The abusive and repeated use of synthetic chem. insecticides has proven to be harmful to human health and the viability of the cotton production system in Ivory Coast, so it is imperative to find alternatives. . Thus, the objective of this study was to study the chem. composition and biol. activity of essential oils of Lippia multiflora (Verbenaceae) and Eucalyptus globulus (Myrtaceae) and to evaluate their insecticidal potential in the laboratory on three main pests of cotton. After essential oils extraction, their chem. composition was determined Also, antioxidant activity and cholinesterase inhibitor of essential oils were evaluated. After that, different concentrations of the two essential oils were prepared and applied by contact on groups of insects constituted by ten. The essential oil of L. multiflora was the most toxic for the three pests tested. Indeed, the lethal concentrations (LC50) were 1.74 %, 1.39 and 7.20 %, resp., on Pectinophora gossypiella, Thaumatotibia leucotreta and Helicoverpa armigera. In contrast, the values obtained with E. globulus essential oil were nine to two times greater (16.05 %, 10.23 % and 16.32 %, resp. on these pests). With respect to the chem. composition of the essential oils, E. globulus essential oil was the richest in oxygenated monoterpenes (65 %) with 1,8-cineole or eucalyptol as the majority compound (61.6 %). The essential oil of L. multiflora was distinguished by a lower proportion of oxygenated monoterpenes (44.3 %), but it contained more terpene elements (24 vs. 15 for the essential oil of E. globulus). The essential oils of L. multiflora and E. globulus also showed significant inhibition of acetyl (2.13 and 2.16 mg galantamine equivalent (GALAE)/g, resp.) and butyryl cholinesterase (4.03 and 3.61 mg GALAE, resp.). L. multiflora was differentiated by its good inactivation of tyrosinases (163.46 vs. 58.95 mg kojic acid equivalent (KAE)/g in E. globulus). Better antioxidant activity was observed with L. multiflora essential oil relative to DPPH (7.05±0.34 mg trolox equivalent (TE)/g). Biopesticides based on L. multiflora essential oil could be developed for the phytosanitary protection of cotton plant.

Chemistry & Biodiversity published new progress about 106-25-2. 106-25-2 belongs to alcohols-buliding-blocks, auxiliary class Natural product, name is cis-3,7-Dimethyl-2,6-Octadien-1-Ol, and the molecular formula is C10H18O, Application In Synthesis of 106-25-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Yamauchi, Takafumi published the artcileMachine learning approaches to predict gestational age in normal and complicated pregnancies via urinary metabolomics analysis, Application of 3-Hydroxyphenylacetic acid, the publication is Scientific Reports (2021), 11(1), 17777, database is CAplus and MEDLINE.

The elucidation of dynamic metabolomic changes during gestation is particularly important for the development of methods to evaluate pregnancy status or achieve earlier detection of pregnancy-related complications. Some studies have constructed models to evaluate pregnancy status and predict gestational age using omics data from blood biospecimens; however, less invasive methods are desired. Here we propose a model to predict gestational age, using urinary metabolite information. In our prospective cohort study, we collected 2741 urine samples from 187 healthy pregnant women, 23 patients with hypertensive disorders of pregnancy, and 14 patients with spontaneous preterm birth. Using gas chromatog.-tandem mass spectrometry, we identified 184 urinary metabolites that showed dynamic systematic changes in healthy pregnant women according to gestational age. A model to predict gestational age during normal pregnancy progression was constructed; the correlation coefficient between actual and predicted weeks of gestation was 0.86. The predicted gestational ages of cases with hypertensive disorders of pregnancy exhibited significant progression, compared with actual gestational ages. This is the first study to predict gestational age in normal and complicated pregnancies by using urinary metabolite information. Minimally invasive urinary metabolomics might facilitate changes in the prediction of gestational age in various clin. settings.

Scientific Reports published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C10H10O6, Application of 3-Hydroxyphenylacetic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Hill, E. Alexander published the artcileRing cleavage rearrangement of cyclobutylmethylboranes, Computed Properties of 20117-47-9, the publication is Journal of Organometallic Chemistry (1982), 239(2), 279-92, database is CAplus.

Boranes prepared by hydroborating methylenecyclobutane (I) with BH₃-THF, 9-borabicyclo[3.3.1]nonane, and BH₃-Me₂S rearranged on heating at 100-160° to open chain structures. Products after oxidation were the unrearranged cyclobutylmethanol, and 4-penten-1-ol (II), 1,4-pentanediol (III) and 1,5-pentanediol (IV). II was the major product when stoichiometric alkene:BH bonds was used; III and IV were formed with excess BH₃. The rate of rearrangement using BH₃-Me₂S at 100° in triglyme was not significantly dependent upon the initial I-BH₃ ratio (3/1 or 1.15/1) or the presence of excess Me₂S. However, an equivalent amount of pyridine prevented rearrangement. Rearrangement in THF using BH₃-THF also occurred at comparable rates in the presence and absence of excess BH₃. Little or no isomerization of the B function into the cyclobutane ring was observed A concerted 4-center mechanism requiring a vacant B orbital was suggested.

Journal of Organometallic Chemistry published new progress about 20117-47-9. 20117-47-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic cyclic hydrocarbon,Alcohol, name is 1-Methylcyclobutan-1-ol, and the molecular formula is C5H10O, Computed Properties of 20117-47-9.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Lambi, John N. published the artcileSynthesis, spectral properties and thermal behaviour of zinc(II) acetylsalicylate, Recommanded Product: 9-Phenyl-9H-xanthen-9-ol, the publication is Thermochimica Acta (2003), 398(1-2), 145-151, database is CAplus.

The thermal behavior of Zn(II) acetylsalicylate [Zn(acsa)₂(H₂O)₂] with respect to phase transitions, pyrolysis both in air and inert (N₂) atm., and product identification was studied. The complex was synthesized by metathesis in hot EtOH solution using aspirin (acetylsalicylic acid) as precursor and characterized via electronic and IR spectral analyses. Optical observations showed that the white salt does not undergo a direct transition from the solid to the liquid phase but rather goes slowly through an intermediate mesophase around 80° before melting rapidly to the brick-brown isotropic liquid around 134-136°. No liquid crystalline phases are however formed. This result was complemented by that from thermogravimetric (TG) studies in the ∼25-600° range, which showed three main weight-loss phases of 8.0, 50.0 and 14.0% (around 200, 250 and 400°) corresponding, resp., to the elimination of CO₂, xanthone and HOAc. The pyrolysis products, as identified using a combination of instrumental (GC-MS) and wet chem. techniques are: CO₂; nonstoichiometric Zn oxide, most likely in the form: Zn_1+xO (0.0000 ≤ x ≤ 0.0003); and a mixture of organic products resulting from further decomposition, charring and other attendant thermal effects at the relatively high temperatures (∼600°) involved. Six of the principal organic products were identified and included salsalate and benorylate which are pro-drugs of salicylic acid, a known pharmaceutical.

Thermochimica Acta published new progress about 596-38-3. 596-38-3 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Benzene,Alcohol, name is 9-Phenyl-9H-xanthen-9-ol, and the molecular formula is C19H14O2, Recommanded Product: 9-Phenyl-9H-xanthen-9-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Svec, Pavel published the artcileIodinated Choline Transport-Targeted Tracers, Recommanded Product: 2-Morpholinoethanol, the publication is Journal of Medicinal Chemistry (2020), 63(24), 15960-15978, database is CAplus and MEDLINE.

We present a novel series of radioiodinated tracers and potential theranostics for diseases accompanied by pathol. function of proteins involved in choline transport. Unlike choline analogs labeled with ¹¹C or ¹⁸F that are currently used in the clinic, the iodinated compounds described herein are applicable in positron emission tomog., single-photon emission computed tomog., and potentially in therapy, depending on the iodine isotope selection. Moreover, favorable half-lives of iodine isotopes result in much less challenging synthesis by isotope exchange reaction. Six of the described compounds were nanomolar ligands, and the best compound possessed an affinity 100-fold greater than that of choline. Biodistribution data of ¹²⁵I-labeled ligands in human prostate carcinoma bearing (PC-3) mice revealed two compounds with a biodistribution profile superior to that of [¹⁸F]fluorocholine.

Journal of Medicinal Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C9H21NO3, Recommanded Product: 2-Morpholinoethanol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Bobrova, Angelina Yu. published the artcile(2-Fluoroallyl)pyridinium tetrafluoroborates: novel fluorinated electrophiles for Pd-catalyzed allylic substitution, Application In Synthesis of 6346-09-4, the publication is Organic & Biomolecular Chemistry (2021), 19(21), 4678-4684, database is CAplus and MEDLINE.

An efficient two-step approach to 2-fluoroallyl amines was developed that involves the synthesis of (2-fluoroallyl)pyridinium tetrafluoroborates from readily available gem-bromofluorocyclopropanes and the application of the former as novel and stable 2-fluoroallyl electrophiles for Pd-catalyzed allylic substitution.

Organic & Biomolecular Chemistry published new progress about 6346-09-4. 6346-09-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Ether, name is 4,4-Diethoxybutan-1-amine, and the molecular formula is C8H19NO2, Application In Synthesis of 6346-09-4.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts