Month: December 2022

Buhrmester, Claudia published the artcileStudies of Aromatic Redox Shuttle Additives for LiFePO₄-Based Li-Ion Cells, Category: ethers-buliding-blocks, the publication is Journal of the Electrochemical Society (2005), 152(12), A2390-A2399, database is CAplus.

Fifty eight aromatic organic mols. were screened as chem. shuttles to provide overcharge protection for LiFePO₄/graphite and LiFePO₄/Li_4/3Ti_5/3O₄ Li-ion cells. The majority of the mols. were based on methoxybenzene and on dimethoxybenzene with a variety of ligands added to explore their effect. The added ligands affect the redox potential of the mols. through their electron-withdrawing effect and affect the stability of the radical cation. Of all the mols. tested, only 2,5-di-tert-butyl-1,4-dimethoxybenzene shows an appropriate redox potential of 3.9 V vs. Li/Li⁺ and long-term stability during extended abusive overcharge totaling over 300 cycles of 100% overcharge per cycle. The reasons for the success of this mol. are explored.

Journal of the Electrochemical Society published new progress about 146370-51-6. 146370-51-6 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 1-((2-Ethylhexyl)oxy)-4-methoxybenzene, and the molecular formula is C15H24O2, Category: ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Zhao, Jing published the artcileSynthesis of Benzoxaboroles by ortho-Oxalkylation of Arylboronic Acids with Aldehydes/Ketones in the Presence of Bronsted Acids, Recommanded Product: (3-Methoxy-5-methylphenyl)boronic acid, the publication is Organic Letters (2021), 23(6), 1986-1990, database is CAplus and MEDLINE.

Herein the authors describe a simple and efficient synthesis of benzoxaboroles from arylboronic acids and aldehydes or ketones in the presence of a Bronsted acid. This method greatly simplifies the starting materials and reduces the number of reaction steps. The reaction can also be accomplished with acetals and ketals. The reaction has a wide substrate scope and high practicability.

Organic Letters published new progress about 725251-81-0. 725251-81-0 belongs to ethers-buliding-blocks, auxiliary class Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is (3-Methoxy-5-methylphenyl)boronic acid, and the molecular formula is C8H15ClN2, Recommanded Product: (3-Methoxy-5-methylphenyl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Lei, Tailong published the artcileADMET Evaluation in Drug Discovery. Part 17: Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity, SDS of cas: 16332-06-2, the publication is Molecular Pharmaceutics (2017), 14(7), 2407-2421, database is CAplus and MEDLINE.

As a dangerous end point, respiratory toxicity can cause serious adverse health effects and even death. Meanwhile, it is a common and traditional issue in occupational and environmental protection. Pharmaceutical and chem. industries have a strong urge to develop precise and convenient computational tools to evaluate the respiratory toxicity of compounds as early as possible. Most of the reported theor. models were developed based on the respiratory toxicity data sets with one single symptom, such as respiratory sensitization, and therefore these models may not afford reliable predictions for toxic compounds with other respiratory symptoms, such as pneumonia or rhinitis. Here, based on a diverse data set of mouse i.p. respiratory toxicity characterized by multiple symptoms, a number of quant. and qual. predictions models with high reliability were developed by machine learning approaches. First, a four-tier dimension reduction strategy was employed to find an optimal set of 20 mol. descriptors for model building. Then, six machine learning approaches were used to develop the prediction models, including relevance vector machine (RVM), support vector machine (SVM), regularized random forest (RRF), extreme gradient boosting (XGBoost), naïve Bayes (NB), and linear discriminant anal. (LDA). Among all of the models, the SVM regression model shows the most accurate quant. predictions for the test set (q²_ext = 0.707), and the XGBoost classification model achieves the most accurate qual. predictions for the test set (MCC of 0.644, AUC of 0.893, and global accuracy of 82.62%). The application domains were analyzed, and all of the tested compounds fall within the application domain coverage. We also examined the structural features of the compounds and important fragments with large prediction errors. In conclusion, the SVM regression model and the XGBoost classification model can be employed as accurate prediction tools for respiratory toxicity.

Molecular Pharmaceutics published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, SDS of cas: 16332-06-2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Guo, Ge published the artcileCatalytic depolymerization of Kraft lignin towards liquid fuels over bifunctional molybdenum oxide based supported catalyst, Application of 1,2-Dimethoxybenzene, the publication is Fuel (2021), 121599, database is CAplus.

Catalytic depolymerization of Kraft lignin towards valuable liquid fuels and monomeric phenols has been a significant and extremely attractive target, but it remains a great challenge. Herein, we report a catalytic system consisted of bifunctional molybdenum oxide based supported catalyst for catalytic lignin hydroconversion into alkylated benzenes and phenols. In the meantime, the achieved yield of liquid product was 95% and petroleum ether extracted product was 65% at 300°C for 12 h over 20%MoO_x/ZIF-8@ZIF-67 catalyst. The calorific value was increased from 25.66 MJ/ Kg to 34.31 MJ/Kg. The characterization studies show the incorporation of MoOx species leads to the synergy between redox sites and acid sites. The product anal. and catalytic studies demonstrate its synergism to promote catalytic cleavage of C-O linkages via the coupled hydrodeoxygenation and alkylation reaction. The reasonable catalytic mechanism and redox cycle route of catalyst indicate that the cooperative catalytic system paves the way for high-efficiency waste lignin utilization.

Fuel published new progress about 91-16-7. 91-16-7 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether,Inhibitor,Inhibitor,Inhibitor, name is 1,2-Dimethoxybenzene, and the molecular formula is C8H10O2, Application of 1,2-Dimethoxybenzene.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Zou, Zidan published the artcileCore shell hetero-structured SiO₂@Ni/SiO₂ catalyst for efficient aqueous-phase hydrogenation of bio-derived unsaturated compounds, SDS of cas: 134-96-3, the publication is Fuel (2022), 123694, database is CAplus.

Silica is one of the most referenced materials for the preparation of heterogeneous metal catalysts. However, silica spheres with smooth surfaces have difficulty encapsulating active metals due to their small surface area and the presence of only a handful of silicon hydroxyl groups on the surface. In this work, the silica sphere has been first consciously transformed into a hierarchical SiO₂@silicate structure, and then the core-shell hetero-structured SiO₂@Ni/SiO₂ catalyst can be tactfully obtained by reducing treatment. The core-shell catalyst is composed of a rigid core (SiO2) and a rough shell (Ni NPs highly disperse on nanosheet SiO₂), which are carefully verified by X-ray diffraction (XRD), transmission electron microscope (TEM), field scanning electron microscope (FESEM), H₂-TPR/TPD and XPS. The derived SiO₂@Ni/SiO₂ catalyst can selectively hydrogenate vanillin in the aqueous phase at near-room temperature (40 °C) and low hydrogen pressure (2 MPa H₂), and the conversion of vanillin can be up to 99%. The preparation method of the SiO₂@Ni/SiO₂ catalyst is simple and can be amplified to a large scale at a low price, thus can be adopted to convert bio-derived unsaturated compounds in an economical and eco-friendly way.

Fuel published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C10H16BNO2, SDS of cas: 134-96-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Hung, Chang-Mao published the artcileSuppression of polycyclic aromatic hydrocarbon formation during pyrolytic production of lignin-based biochar via nitrogen and boron co-doping, Category: ethers-buliding-blocks, the publication is Bioresource Technology (2022), 127246, database is CAplus and MEDLINE.

Polycyclic aromatic hydrocarbons are toxic byproducts of biochar production The effects of pyrolysis atm. (i.e., N₂ and CO₂) and temperature (i.e., 300-900 °C) and element doping (i.e., N, B, O, and S) on the production of sixteen high priority polycyclic aromatic hydrocarbons in lignin-based biochar was investigated. N₂ atmosphere at 300 °C produced the highest total polycyclic aromatic hydrocarbon content (1698 ± 50 ng/g). Polycyclic aromatic hydrocarbon formation decreased with increase in temperature (31 ± 15 ng/g at 900 °C). CO₂ atmosphere significantly decreased yield of polycyclic aromatic hydrocarbons. The effects of heteroatom doping on polycyclic aromatic hydrocarbon formation were investigated for the first time in the pyrolysis synthesis of lignin-based biochar. N-, B-, O, N-B-, and N-S-doping of biochar reduced polycyclic aromatic hydrocarbon formation by 90, 85, 87, 97, and 89%, resp. Results bring new insights into the role of heteroatom-doping and pyrolysis conditions in controlling polycyclic aromatic hydrocarbon formation in biochars.

Bioresource Technology published new progress about 91-16-7. 91-16-7 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether,Inhibitor,Inhibitor,Inhibitor, name is 1,2-Dimethoxybenzene, and the molecular formula is C8H10O2, Category: ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Shih, Kuo Sheng published the artcilePhotoluminescence of MEH-PPV Brushes, Pancakes, and Free Molecules in Solutions and Dry States, COA of Formula: C15H24O2, the publication is ACS Photonics (2015), 2(1), 33-42, database is CAplus.

Photoluminescence (PL) of a conjugated polymer MEH-PPV, poly[2-methoxy-5-(2′-ethylhexyloxy)-1,4-phenylenevinylene], grafted on a silicon wafer with controlled tether spacing was studied to reveal the effects of mol. conformation, chain packing, and mech. stress. In the solvent-swollen state, the PL of the densely grafted polymer (denoted “brushes”) was blue-shifted substantially relative to the lightly grafted (denoted “pancakes”) and free polymers. As solvent evaporated, while for the brushes the changes in PL were insignificant, the PL spectra of the pancakes underwent large blue shifts and exhibited significant efficiency enhancements up to ∼175-fold. The solvent evaporation effects were attributed to mol. deformations resulting from coil contraction on the substrate, which gave rise to conjugation-disruptive kinks (blue shift) and segmental stretching (PL enhancement) in the dried mols. Moreover, heterojunctional quenching was found significantly suppressed by the mech. stresses. Similar behavior was observed in dried free single mols. These results unveil the fundamental role of mech. stresses, not only indirectly through their influence on mol. conformations, but directly via alterations of the excitonic behavior.

ACS Photonics published new progress about 146370-51-6. 146370-51-6 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 1-((2-Ethylhexyl)oxy)-4-methoxybenzene, and the molecular formula is C19H14FN3O3S, COA of Formula: C15H24O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Tan, Ming published the artcileRoasting treatments affect physicochemical, aroma and nutritional quality of strong fragrant rapeseed oil, Related Products of ethers-buliding-blocks, the publication is Journal of Food Composition and Analysis (2022), 104648, database is CAplus.

The strong fragrant rapeseed oil (SFRO) attracts the growing interest in China due to its fragrant flavor, attractive color, and phys. and oxidative stability. It is usually produced with simple processes including rapeseed roasting, mech. pressing, and degumming with hot water (80-90°C). To produce SFROs with high quality and nutritional contents, the seed roasting parameters including temperature up to 220°C and time ranging from 10 min to 30 min were investigated. Results showed that 20-min roasting at temperature 160°C resulted in the highest oil extraction yield of 33.20% with the lowest water content of 0.121%. The produced SFRO had the roasted, nutty and soft tastes with the maximum overall score, the highest total tocopherol and sterol contents of 789.73 mg/kg and 4582.80 mg/kg, resp., and high CoQ10 content of 65.57 mg/kg. Over-roasting at roasting temperature of over 180°C and time of over 30 min led to the high Lovibond red readings, off-flavors, and increased concentrations of high saturated fatty acids and Benzo[a]pyrene (BaP). Our findings would provide a reference to produce SFROs with the highest extraction yield and nutrient contents, acceptable physicochem. properties, optimal profile of the fatty acids and the key aroma compounds, and relatively-low BaP concentration

Journal of Food Composition and Analysis published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C15H14BNO4S, Related Products of ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Sethi, Dalip published the artcileFluorescent Peptide-PNA Chimeras for Imaging Monoamine Oxidase A mRNA in Neuronal Cells, Product Details of C25H23NO4, the publication is Bioconjugate Chemistry (2012), 23(2), 158-163, database is CAplus and MEDLINE.

Monoamine oxidases (MAO) catalyze the oxidative deamination of many biogenic amines and are integral proteins found in the mitochondrial outer membrane. Changes in MAO-A levels are associated with depression, trait aggression, and addiction. Here we report the synthesis, characterization, and in vitro evaluation of novel fluorescent peptide-peptide nucleic acid (PNA) chimeras for MAOA mRNA imaging in live neuronal cells. The probes were designed to include MAOA-specific PNA dodecamers, separated by an N-terminal spacer to a μ-opioid receptor targeting peptide (DAMGO), with a spacer and a fluorophore on the C-terminus. The probe was successfully delivered into human SH-SY5Y neuroblastoma cells through μ-opioid receptor-mediated endocytosis. The K_d by flow cytometry was 11.6±0.8 nM. Uptake studies by fluorescence microscopy showed ∼5-fold higher signal in human SH-SY5Y neuroblastoma cells than in neg. control CHO-K1 cells that lack μ-opioid receptors. Moreover, a peptide-mismatch control sequence showed no significant uptake in SH-SY5Y cells. Such mRNA imaging agents with near-IR fluorophores might enable real time imaging and quantitation of neuronal mRNAs in live animal models.

Bioconjugate Chemistry published new progress about 77128-73-5. 77128-73-5 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid, and the molecular formula is C4H6F3NOS, Product Details of C25H23NO4.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Mainville, C. A. published the artcileScope of acetonitrile as a solvent in the nonaqueous titration of organic medicinals, Recommanded Product: 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride, the publication is Journal of Pharmaceutical Sciences (1964), 53(2), 154-7, database is CAplus and MEDLINE.

Acetonitrile is a useful solvent for nonaqueous titration of organic medicinals as very few excipients interfere. Its scope, however, for each individual compound must be investigated as solubility cannot be predicted on the basis of chem. similarity.

Journal of Pharmaceutical Sciences published new progress about 637-58-1. 637-58-1 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride, and the molecular formula is C17H28ClNO3, Recommanded Product: 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem