Tag: 100-200

On August 15, 2019, Ma, Pan; Li, Meijing; Lu, Hongmei; Zhang, Zhimin published an article.Category: amides-buliding-blocks The title of the article was MARS 2: A computational tool to resolve and extract features from large-scale GC-MS datasets. And the article contained the following:

MARS (MS-Assisted Resolution of Signal) is a computational tool for feature extraction using multivariate curve resolution approaches. However, it is time-consuming for large-scale GC-MS datasets and sensitive to the component number estimation Here we introduce MARS 2 with substantial improvements to overcome these limitations. Reverse matching (RM) and principal component optimization-iterative transformation target factor anal. (PCO-ITTFA) are developed to reduce the time for locating peak regions and determine the correct component number for resolving optimal features. The greatest strength of MARS 2 is “resolve once, extract anywhere”. It means that mass spectra of each component were needed to resolve from only one profile. Then, chromatog. features can be extracted automatically from hundreds of other profiles with the assistance from the resolved mass spectra. To evaluate its performance, plasma datasets and fatty acid standard mixtures were processed by MARS 2, AMDIS, ADAP-GC 3.0, eRah and MS-DIAL. Amino acid standard mixtures were analyzed by MARS 2 for calibration. Results show that MARS 2 can achieve better performance in both qual. and quant. anal. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Category: amides-buliding-blocks

The Article related to mars computational tool resolve extract gc ms dataset, Organic Analytical Chemistry: Separations and other aspects.Category: amides-buliding-blocks

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Chen, Xingmei; Dang, Limin; Yang, Hai; Huang, Xianwei; Yu, Xinliang published an article in 2020, the title of the article was Machine learning-based prediction of toxicity of organic compounds towards fathead minnow.Safety of N,N-Diethylacetamide And the article contains the following content:

Predicting the acute toxicity of a large dataset of diverse chems. against fathead minnows (Pimephales promelas) is challenging. In this paper, 963 organic compounds with acute toxicity towards fathead minnows were split into a training set (482 compounds) and a test set (481 compounds) with an approx. ratio of 1 : 1. Only six mol. descriptors were used to establish the quant. structure-activity/toxicity relationship (QSAR/QSTR) model for 96 h pLC50 through a support vector machine (SVM) along with genetic algorithm. The optimal SVM model (R2 = 0.756) was verified using both internal (leave-one-out cross-validation) and external validations. The validation results (qint2 = 0.699 and qext2 = 0.744) were satisfactory in predicting acute toxicity in fathead minnows compared with other models reported in the literature, although our SVM model has only six mol. descriptors and a large data set for the test set consisting of 481 compounds The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Safety of N,N-Diethylacetamide

The Article related to sar pimephales promelas organic compound toxicity machine learning, Placeholder for records without volume info and other aspects.Safety of N,N-Diethylacetamide

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On April 7, 2020, Zeng, Xiaoliang; Long, Zhou; Jiang, Xiaofang; Zhang, Yajun; Liu, Qi; Hu, Jing; Li, Chenghui; Wu, Li; Hou, Xiandeng published an article.Computed Properties of 685-91-6 The title of the article was Single Bimetallic Lanthanide-Based Metal-Organic Frameworks for Visual Decoding of a Broad Spectrum of Molecules. And the article contained the following:

Distinguishing the delicate structural differences among mols. is a critical and challenging task in biol./chem. anal. A mol. decoding strategy has recently become promising to differentiate similar mols., which is advantageous over the common sensing methods mostly used for detecting a single target. However, the design of an ideal mol. decoder is still strictly hindered by the tailored preparation of probes for particular mols. and the severe lack of widespread feasibility. We herein for the first time proposed to use single bimetallic lanthanide-based metal-organic frameworks (Ln-MOFs) as a powerful, versatile probe for fast and facile decoding of homologues, isomers, enantiomers, and even deuterated isotopomers, based on the unique host-guest interaction of a specific target with the Ln-MOF which could provide an according visual output based on the modulated energy transfer process. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Computed Properties of 685-91-6

The Article related to bimetallic lanthanide metal organic frameworks visual decoding mol, Placeholder for records without volume info and other aspects.Computed Properties of 685-91-6

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On March 31, 2021, Polunin, K. E.; Ul鈥瞴anov, A. V.; Polunina, I. A.; Buryak, A. K. published an article.Synthetic Route of 685-91-6 The title of the article was Detection and Neutralization of Unsymmetrical Dimethylhydrazine on the Surface of Construction Materials. And the article contained the following:

The construction materials that contacted with unsym. dimethylhydrazine and the desorption solutions obtained when treating the contaminated surface of metals and alloys with water and reagents were studied by chromatog. and mass spectrometry. Neutralization of unsym. dimethylhydrazine was studied using ozone and shungite. Ozonation makes it possible to destroy the toxicant mols. chem. and phys. adsorbed on the surface of metal constructions, due to which they can be reused and utilized. Shungite effectively adsorbs and catalytically decomposes not only unsym. dimethylhydrazine and its transformation products, but also oligomer compounds formed during the storage of hydrazine fuel. Ozonation of spent shungite can increase the efficiency of destructive processes and completeness of its regeneration. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Synthetic Route of 685-91-6

The Article related to neutralization dimethylhydrazine construction material ozonation, Placeholder for records without volume info and other aspects.Synthetic Route of 685-91-6

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On April 30, 2020, Waghorne, W. Earle published an article.Category: amides-buliding-blocks The title of the article was A Study of Kamlet-Taft 尾 and 蟺* Scales of Solvent Basicity and Polarity/Polarizability Using Computationally Derived Molecular Properties. And the article contained the following:

The Kamlet and Taft solvent basicity parameter, 尾, and solvent polarity/polarizability parameter, 蟺*, were analyzed in terms of properties of the solvent mols. derived from computational chem. The anal. of 尾, using a larger data set, confirms earlier conclusions that, for aprotic solvents, the basicity is determined by the partial charge on the most neg. atom of the solvent mol. and by the energy of the highest energy MO associated with the donor site. For alcs. and nitrogen bases containing N-H moieties, the 尾 values deviate systematically from those for the non-hydrogen bonding solvents. Anal. of the polarity/polarizability parameter, 蟺*, shows that it depends directly on the dipole moment, and quadrupolar amplitude of the solvent and on the energy of the HOMO, but decreases linearly with increasing solvent polarizability. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Category: amides-buliding-blocks

The Article related to solvent basicity polarity polarizability molicualr property, Placeholder for records without volume info and other aspects.Category: amides-buliding-blocks

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On March 15, 2020, Chen, Xinfei; Ma, Xiaoqian; Zeng, Xianghao; Zheng, Chupeng; Lu, Xiaoluan published an article.Quality Control of N,N-Diethylacetamide The title of the article was Ethanol addition during aqueous phase recirculation for further improving bio-oil yield and quality. And the article contained the following:

The increase of nitrogen content caused by the re-polymerization of nitrogenous compounds remains an important challenge during aqueous phase recirculation in the water solvent. In this work, aqueous phase recirculation was conducted in the ethanol-water solvent to evaluate the feasibility of ethanol addition in inhabiting the re-polymerization of nitrogenous compounds The present study provides a comprehensive comparison of yield and quality between bio-oils derived from aqueous phase recirculation in the water solvent and ethanol-water solvent. The results showed that the addition of ethanol in aqueous phase recirculation displayed higher promotion in bio-oil yield (7%) compared with water solvent (3.55%). The energy recovery efficiency of bio-oil from ethanol-water solvent reached 87.43% after recirculation for three times, while that from the water solvent was 74.61%. The elemental anal. and gas chromatog.-mass spectrometry anal. indicated that ethanol addition could inhibit the re-polymerization of nitrogenous compounds and thus decrease the nitrogen content in bio-oil. This resulted in lower NO and HCN emission peaks during the combustion process. Besides, the addition of ethanol increased the content of light mol. weight fractions and decreased the coke formation, which contributed to complete combustion and resulted in lower CO emission peaks. Overall, this work provides a feasible way for further improving the bio-oil yield and fuel quality through ethanol addition in solvent during aqueous phase recirculation. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Quality Control of N,N-Diethylacetamide

The Article related to ethanol bio oil yield quality aqueous phase recirculation, Placeholder for records without volume info and other aspects.Quality Control of N,N-Diethylacetamide

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On April 30, 2022, Kohn, Elkana; Barchel, Dana; Golik, Ahuva; Lougassi, Marc; Wainstock, Tamar; Berkovitch, Matitiahu; Schwartsburd, Frieda published an article.Related Products of 27115-50-0 The title of the article was Analysis of 10 urinary BTEX metabolites using LC-MS/MS. And the article contained the following:

Benzene, toluene, ethylbenzene, and xylene (BTEX) are a group of volatile organic compounds that are ubiquitous in the environment due to numerous anthropogenic sources. Exposure to BTEX poses a health hazard by increasing the risk for damage to multiple organs, neurocognitive impairment and birth defects. Urinary BTEX metabolites are useful biomarkers for the evaluation of BTEX exposure, because of the ease of sampling and their longer physiol. half-lives compared with parent compounds A method that utilizes LC-MS/MS was developed and validated for simultaneously monitoring of 10 urinary BTEX metabolites. During the sample preparation an aliquot of urine was diluted with an equal volume of 1% formic acid; internal standard solution was added, and then the sample was centrifuged and analyzed. The analytes were separated on the Kinetex-F5 column by applying a linear gradient, consisting of 0.1% formic acid and methanol. The method was validated according to the FDA Bioanal. Method Validation Guidance for Industry. The mean method鈥瞫 accuracies of the spiked matrix were 81-122%; the inter-day precision ranged from 4 to 20%; the limits of quantitation were 0.5-2 渭g/L. The method was used for the evaluation of baseline levels of urinary BTEX metabolites in 87 firefighters. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Related Products of 27115-50-0

The Article related to benzene toluene ethylbenzene xylene urine metabolite lcmsms analysis, btex, lc-ms/ms, metabolites, urine, validation, Placeholder for records without volume info and other aspects.Related Products of 27115-50-0

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On August 5, 2022, Li, Qinlan; Guo, Qian; Wang, Shuyi; Wan, Shanhe; Li, Zhonghuang; Zhang, Jiajie; Wu, Xiaoyun published an article.Application of 16230-24-3 The title of the article was Design and synthesis of proteolysis targeting chimeras (PROTACs) as an EGFR degrader based on CO-1686. And the article contained the following:

Epidermal growth factor receptor (EGFR) inhibitors represent the first-line treatment of non-small-cell lung cancer (NSCLC). However, the emergence of acquired drug resistance and side effects largely encumbered their application in clinic. The emerging technol. proteolysis targeting chimera (PROTAC) could be an alternative strategy to overcome these problems. Herein, we reported the discovery of EGFRL858R/T790M degraders based on CO-1686. Promising PROTAC 1q could effectively and selectively inhibit the growth of PC-9 (EGFRDel 19) and H1975 (EGFRL858R/T790M) cells, but not that of A549 (EGFRWT) cells. In addition, 1q could time- and dose-dependently induce degradation of EGFRL858R/T790M in H1975 cells with a DC50 value of 355.9 nM, while did not show obvious effect on the EGFRDel 19 and EGFRWT protein. Preliminary mechanism study demonstrated that the protein degradation was mediated through ubiquitin-proteasome system (UPS). Furthermore, 1q could significantly induce the apoptosis of H1975 cells and arrest the cells in G0/G1 phase. These findings demonstrated that compound 1q could be used as initial lead compound for the development of new EGFRL858R/T790M degraders based therapy. The experimental process involved the reaction of N-(3-Aminophenyl)acrylamide(cas: 16230-24-3).Application of 16230-24-3

The Article related to human lung adenocarcinoma nsclc apoptosis protac egfr degrader co1686, co-1686, degrader, egfr, protac, Placeholder for records without volume info and other aspects.Application of 16230-24-3

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Bozkus, Tugba Nigar; Deger, Orhan; Yasar, Ahmet published an article in 2021, the title of the article was Chemical characterization of water and ethanolic extracts of Turkish propolis by HPLC-DAD and GC-MS.Name: N,N-Diethylacetamide And the article contains the following content:

This study aims to determine the qual. and quant. contents of Turkish propolis collected from various regions of Turkey using high-performance liquid chromatog. with the diode-array detector (HPLC-DAD) and gas chromatog.-mass spectrometry (GC-MS) in water and ethanolic extracts In HPLC-DAD analyses, it was determined that water extract of Turkish propolis contains phenolic acids such as caffeic acid (204.00 渭g/mL), trans-cinnamic, chlorogenic, and caffeoylquinic acids, responsible for its antioxidant activity; whereas, the ethanolic extract of Turkish propolis contains chrysin (641.33 渭g/mL), caffeic acid phenethyl ester (630.67 渭g/mL), pinocembrin (572.67 渭g/mL), galangin (534.11 渭g/mL), naringenin (372.39 渭g/mL), and also kaempferol, trans-cinnamic acid, caffeic acid, myricetin, and quercetin. GC-MS analyses showed that ethanolic extract of propolis contains caffeic acid by Rtx-1 column and the water extract of propolis contains quinic acid and ferulic acid by Rtx-5ms column. Various sugar derivatives were detected by both columns in water and ethanolic extracts of Turkish propolis. HPLC-DAD can be considered as a more effective method than GC-MS for the chem. characterization of propolis. Water extract of Turkish propolis can be a good source of raw materials for various sectors, as it is both cheap and has less health risk than ethanolic extract, and is suitable for human use. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Name: N,N-Diethylacetamide

The Article related to water ethanolic extract propolis liquid gas chromatog mass spectrometry, Placeholder for records without volume info and other aspects.Name: N,N-Diethylacetamide

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Ko, Ik Jang; Park, Jin Hwan; Kim, Gyeong Woo; Lampande, Raju; Kwon, Jang Hyuk published an article in 2019, the title of the article was High-Performance Reflective Electrochromic Device by Integrating White Reflector and High Optical Density Electrochromic System.Quality Control of N,N-Diethylacetamide And the article contains the following content:

This paper reports an efficient reflective electrochromic device (ECD) by integrating a highly reflective micro-porous titanium dioxide-based white reflector film and an optimized transparent to black convertible electrochromic (EC) system. This reflective ECD can reflect almost 58.5% of light in the white state and 4.7% in the dark black state at 550 nm. Similarly, it also exhibits a very high ambient contrast ratio of 38:1 under office ambient light condition and good driving stability of about 83% in the white state (0 V) and 98% in the black state (1.7 V) after 10 000 driving cycles. In addition, the EC system is optimized by selecting good proton generator and suitable solvent for better coloration property as well as a low driving voltage via lactone ring opening reaction of leuco dye and supporting polymer for high optical d. through suppressing the movement of oxidized leuco dye to the electrode. An ECD with the optimized EC system shows significant improvement in average optical d. from 0.62 to 1.9 (at 400 to 700 nm) and faster switching speeds of about 1.6 s. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Quality Control of N,N-Diethylacetamide

The Article related to titanium dioxide white reflector electrochromic device optical density, Placeholder for records without volume info and other aspects.Quality Control of N,N-Diethylacetamide

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics