Day: December 1, 2022

Ray, Parijat published the artcileDevelopment of bio-acrylic polymers from Cyrene: transforming a green solvent to a green polymer, Recommanded Product: 1,3-Dimethoxybenzene, the main research area is cyrene bioacrylic polymer polymerization.

In this work, Cyrene, a bio-based green solvent, has been transformed into its methacrylic derivative (m-Cyrene) for the first time. Polymerization of the newly-synthesized monomer was studied using different polymerization techniques such as bulk, solution and emulsion polymerization Compared to solution polymerization, emulsion polymerization was found to produce higher yields and mol. weights Cyrene, along with other green solvents, was used as a polymerization solvent and was found to be the most effective (as a solvent) with the highest yield and mol. weight The new Cyrene monomer was found to undergo rapid polymerization compared to isobornyl methacrylate (IBMA), another bio-derived monomer with a close structural similarity, and the highest polymerization rate was obtained in Cyrene as the polymerization solvent media. A reactivity ratio calculation also showed m-Cyrene to be more reactive than IBMA. The homopolymer derived from emulsion polymerization showed high glass transition temperature (192°C) and thermal stability (up to ca. 266°C). Cytotoxicity testing confirmed the non-toxic nature of the bio-derived monomer, making it a green bio-derived methacrylic monomer for synthesizing polymers, where high thermal stability and mech. properties are required.

Polymer Chemistry published new progress about Cytotoxicity. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Recommanded Product: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Eva-Maria, Prantl published the artcileComparison of in vitro test systems using bacterial and mammalian cells for genotoxicity assessment within the “”health-related indication value (HRIV) concept, Synthetic Route of 117-96-4, the main research area is bacterial mammalian cell genotoxicity health related indication value concept; Drinking water; Genotoxicity; Germany; HRIV concept; Risk assessment; Test battery; Tox-Box.

In numerous cases, the German health-related indication value (HRIV) concept has proved its practicability for the assessment of drinking water relevant trace substances (Umweltbundesamt 2003). The HRIV is based on the toxicol. profile of a substance. An open point of the HRIV concept has been the assignment of standardized test procedures to be used for the assessment. The level of the HRIV is at its lowest as soon as the genotoxicity of the substance is detected. As a single test on its own, it is not sufficient enough to assess the human toxicol. relevance of a genotoxic effect or exclude it in the case of a neg. result; a reasonable test battery was required, tech. oriented towards the already harmonized international, hierarchical evaluation for toxicol. assessment of chems. Therefore, an important aim of this project was to define a strategy for the genotoxicol. assessment of anthropogenic trace substances. The basic test battery for genotoxicity of micropollutants in drinking water needs to fulfill several requirements. Although quick test results are needed for the determination of HRIV, a high degree of transferability to human genotoxicity should be ensured. Therefore, an in vitro genotoxicity test battery consisting of the Ames fluctuation test with two tester strains (ISO 11350), the umu test and the micronucleus test, or from the Ames test with five tester strains (OECD 471) and the micronucleus test is proposed. On the basis of selected test substances, it could be shown that the test battery leads to pos., indifferent, and neg. results. Given indifferent results, the health authority and the water supplier must assume that it is a genotoxic substance. Genetically modified tester strains are being sensitive to different chem. classes by expression of selected mammalian key enzymes for example nitroreductase, acetyltransferase, and glutathione-S-transferase. These strains may provide valuable addnl. information and may give a first indication of the mechanism of action. To check this hypothesis, various addnl. strains expressing specific human-relevant enzymes were investigated. It could be shown that the addnl. use of genetically modified tester strains can enhance the detectable substance spectrum with the bacterial genotoxicol. standard procedures or increase the sensitivity. The addnl. use provides orienting information at this level as a lot of data can be obtained quite quickly and with little effort. These indications of the mechanism of action should be however verified with a test system that uses mammalian cells, better human cells, to check their actual relevance. The selection of appropriate addnl. tester strains has to be defined from case to case depending on the mol. structure and also still requires some major expertise.

Environmental Science and Pollution Research published new progress about Cytotoxicity. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Synthetic Route of 117-96-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Spitta, Luis F. published the artcileAn in-vitro approach for water quality determination: activation of NF-κB as marker for cancer-related stress responses induced by anthropogenic pollutants of drinking water, Recommanded Product: Diatrizoic Acid, the main research area is NF kappaB cancer stress response anthropogenic pollutant drinking water; Cytotoxicity; Environmental toxicology; Fluorescence based reporter assay; Genotoxicity; NF-kappaB; TOX-Box.

Epidemiol. studies show that there is a link between urban water pollution and increase in human morbidity and mortality. With the increase in number of new substances arising from the chem., pharmaceutical, and agricultural industries, there is an urgent need to develop biol. test systems for fast evaluation of potential risks to humans and the environmental ecosystems. Here, a combined cellular reporter assay based on the cellular survival and the stress-induced activation of the survival-promoting factor nuclear factor κB (NF-κB) and its use for the detection of cytotoxicity and cancer-related stress responses is presented. A total of 14 chems. that may be found in trace-amounts in ground water levels are applied and tested with the presented assay. The project is embedded within the joint research project TOX-BOX which aims to develop a harmonized testing strategy for risk management of anthropogenic trace substances in potable water. The assay identified carbendazim as a NF-κB-activating agent in mammalian cells.

Environmental Science and Pollution Research published new progress about Cytotoxicity. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Recommanded Product: Diatrizoic Acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Fucke, Katharina published the artcileOvercoming the solvation shell during the crystallisation of diatrizoic acid from dimethyl sulfoxide, Formula: C11H9I3N2O4, the main research area is diatrizoic acid crystallization dimethyl sulfoxide desolvation.

We present three crystal structures of diatrizoic acid (DTA) DMSO solvates illustrating progressive desolvation of the DTA mol. and concomitant increasing degree of DTA self-association Using these structures, plausible pathways for overcoming the solvation shell of DTA during its crystallization from solution are discussed.

Chemical Communications (Cambridge, United Kingdom) published new progress about Conformation. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Formula: C11H9I3N2O4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Merzlikine, Alexei published the artcileDevelopment of machine learning models of β-cyclodextrin and sulfobutylether-β-cyclodextrin complexation free energies, Formula: C11H9I3N2O4, the main research area is machine learning modeling beta cyclodextrin sulfobutylether complexation energy.

A new set of 142 exptl. determined complexation constants between sulfobutylether-β-cyclodextrin and diverse organic guest mols., and 78 observations reported in literature, were used for the development of the QSPR models by the two machine learning regression methods – Cubist and Random Forest. Similar models were built for β-cyclodextrin using the 233-compound dataset available in the literature. These results demonstrate that the machine learning regression methods can successfully describe the complex formation between organic mols. and β-cyclodextrin or sulfobutylether-β-cyclodextrin. In particular, the root mean square errors for the test sets predictions by the best models are low, 1.9 and 2.7 kJ/mol, resp. The developed QSPR models can be used to predict the solubilizing effect of cyclodextrins and to help prioritizing exptl. work in drug discovery.

International Journal of Pharmaceutics published new progress about Complexation. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Formula: C11H9I3N2O4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Rosenberg, Martin published the artcileExtended Triangulenium Ions: Syntheses and Characterization of Benzo-Bridged Dioxa- and Diazatriangulenium Dyes, Name: 1,3-Dimethoxybenzene, the main research area is benzo bridged dioxatriangulenium diazatriangulenium dye synthesis fluorescence electrochem property.

The very limited class of fluorophores with long fluorescence lifetime (> 10 ns) and fluorescence beyond 550 nm, has been expanded with two benzo-fused triangulenium derivatives and two cationic [5]-helicene salts. The syntheses of the benzo-bridged dioxa- and diazatriangulenium derivatives (BDOTA+ and BDATA+, resp.) required two different synthetic approaches, which reflect the structural and physiochem. impact on the reactivity of [5]-helicenium precursors. Spectroscopic investigations show that introduction of the benzo-bridge into the triangulenium chromophore significantly red shifts the absorption and emission while maintaining fluorescence lifetimes above 10 ns. The combination of high quantum yield, long fluorescence lifetime, and emission above 600 nm is possible only if the structural aspects of the triangulenium framework are perfectly harmonized to secure a low rate of non-radiative deactivation. The new benzo-bridge may be a general motif to obtain red shifted derivatives of other dye classes.

Journal of Organic Chemistry published new progress about Chromophores. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Name: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yang, Minfeng published the artcileDesign and synthesis of Phenylaminothiophene donor-based chromophore with enhanced electro-optic activity, SDS of cas: 5961-59-1, the main research area is phenylaminothiophene chromophore preparation electro optical property.

Three novel chromophores B-D have been synthesized based on thiophene derivatived donors, including 5-(methyl(phenyl)amino)thiophene 5-(bis(4-methoxyphenyl)amino)thiophene 5-((4-methoxyphenyl)(methyl)amino)thiophene groups resp., with the same isophorone-derived bridge and tricyanovinyldihydrofuran (TCF) acceptors. A new strategy was proposed to improve the electron donating ability of the chromophore, thienyl groups were explored as a replacement for the Ph unit in the donor part of the chromophore. D. functional theory calculations suggested that the first hyperpolarizability of (arylamino) thiophene donor-containing chromophore B-D is about 20% higher than that of 4-(dialkylamino) Ph counterpart chromophore A. At least 50% enhancement in bulk nonlinearity (r33) is realized as the donor subunits were changed from alkylaniline to (arylamino) thiophene donors. Polymeric thin films doped with 25 wt% chromophore B-D have been poled to afford large r33 values of 131, 143 and 138 p.m./V at 1.31μm, resp., which is much higher than the EO activity of chromophore A (88 pm/V).

Dyes and Pigments published new progress about Chromophores. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, SDS of cas: 5961-59-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Lopez-Prieto, Israel J. published the artcileFormation and control of disinfection by-products from iodinated contrast media attenuation through sequential treatment processes of ozone-low pressure ultraviolet light followed by chlorination, Name: Diatrizoic Acid, the main research area is ozone disinfection UV light wastewater treatment chlorination; Chlorine disinfection; Iodinated-disinfection by-products; Iopamidol attenuation; Pre-ozonation; UV photolysis.

Different groups of disinfection byproducts (DBPs) were studied through the degradation of iopamidol by the sequential oxidation process of ozone-low pressure UV light (O3-LPUV) followed by chlorination. This paper investigates the attenuation of iopamidol under this sequential treatment and the effect of chlorine contact time (30 min vs. 3 days) to control the formation potential of DBPs: trihalomethanes (THMs), haloacetonitriles (HANs) and haloacetamides (HAMs). Thirty target DBPs among the 9 iodinated-DBPs (I-DBPs), were monitored throughout the sequential treatment. Results showed that O3-LPUV removed up to 99% of iopamidol, while ozone and LPUV alone removed only 90% and 76% resp. After chlorine addition, O3-LPUV yielded 56% lower I-DBPs than LPUV. Increasing chlorine contact time resulted in higher concentrations of all DBP groups (THMs, HANs, and HAMs), with the exception of I-DBPs. One new iodinated-haloacetamide, namely chloroiodoacetamide (CIACM) and one iodoacetonitrile (IACN) were detected. These results suggest the iodine incorporated in iopamidol may be a precursor for iodinated-nitrogenous-DBPs, which are currently not well studied.

Chemosphere published new progress about Chlorination. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Name: Diatrizoic Acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

da Costa Filho, Paulo Augusto published the artcileRapid analysis of food raw materials adulteration using laser direct infrared spectroscopy and imaging, HPLC of Formula: 598-50-5, the main research area is food raw material adulteration laser direct IR spectroscopy imaging.

The objective of this study was to assess the application of the Laser Direct IR (LDIR) imaging system as a rapid screening technol. for detection, identification, and semi-quantitation of adulterants in food ingredients. Forty-five samples of skimmed milk powder, thirty-one samples of soy protein isolate, thirty-five samples of chicken meat powder, thirty-two samples of pea protein isolate and six samples of wheat flour were dry blended adulterated with nitrogen-rich compounds and bulking agents at concentrations of 1.0-15.0% (weight/weight). In addition, ten samples of skimmed milk powder were wet blended with food adulterants at 5.0% and 10.0% (weight/weight) to check the LDIR performance when different fraudulent processes are applied. The results from this study shows that LDIR can be used as a rapid untargeted screening method that are independent of adulterants to detect, identify and semi-quantify food adulterants in dry blended samples. In most samples, the technol. accurately identified all nitrogen-rich compounds and bulking agents present in the dry blended samples. In addition, the technol. shows sensitivity of 82% for samples adulterated at 1% and sensitivity from 92% to 100% for samples adulterated at �5% economic adulteration. On the other hand, the detection and identification of food adulterants in samples prepared by wet blending process was more challenging than dry blended samples because mid-IR technol. may not be sensitive enough to detect adulterants if they are dissolved or if hidden within the particles.

Food Control published new progress about Chicken meat. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, HPLC of Formula: 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Kuroda, Keisuke published the artcileHospital-Use Pharmaceuticals in Swiss Waters Modeled at High Spatial Resolution, Category: isoquinoline, the main research area is hospital pharmaceutical Swiss water model high spatial resolution.

A model to predict the mass flows and concentrations of pharmaceuticals predominantly used in hospitals across a large number of sewage treatment plant (STP) effluents and river waters was developed at high spatial resolution It comprised 427 geo-referenced hospitals and 742 STPs serving 98% of the general population in Switzerland. In the modeled base scenario, domestic, pharmaceutical use was geog. distributed according to the population size served by the resp. STPs. Distinct hospital scenarios were set up to evaluate how the predicted results were modified when pharmaceutical use in hospitals was allocated differently; for example, in proportion to number of beds or number of treatments in hospitals. The hospital scenarios predicted the mass flows and concentrations up to 3.9 times greater than in the domestic scenario for iodinated X-ray contrast media (ICM) used in computed tomog. (CT), and up to 6.7 times greater for gadolinium, a contrast medium used in magnetic resonance imaging (MRI). Field measurements showed that ICM and gadolinium were predicted best by the scenarios using number of beds or treatments in hospitals with the specific facilities (i.e., CT and/or MRI). Pharmaceuticals used both in hospitals and by the general population (e.g., cyclophosphamide, sulfamethoxazole, carbamazepine, diclofenac) were predicted best by the scenario using the number of beds in all hospitals, but the deviation from the domestic scenario values was only small. Our study demonstrated that the bed number-based hospital scenarios were effective in predicting the geog. distribution of a diverse range of pharmaceuticals in STP effluents and rivers, while the domestic scenario was similarly effective on the scale of large river-catchments.

Environmental Science & Technology published new progress about Chemotherapy. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem