Category: 685-91-6

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

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On May 10, 2020, Shields, Erin P.; Weber, Stephen G. published an article.Synthetic Route of 685-91-6 The title of the article was A crosslinked, low pH-stable, mixed-mode cation-exchange like stationary phase made using the thiol-yne click reaction. And the article contained the following:

Mixed-mode cation-exchange stationary phases are useful for the separation of mixtures containing hydrophobic, acidic, and basic mols. To ensure that weak organic bases are protonated and carboxylic acids are neutral low pH mobile phases are required. Mixed-mode stationary phases that are stable at pH < 3 are needed. We synthesized a crosslinked structure along the surface of thiol functionalized silica gel particles using the thiol-yne click reaction. The alkyne, 1,7-octadiyne, was added to the 3-mercaptopropyl silica gel, then crosslinked using 1,6-hexanedithiol. Elemental anal. showed low octadiyne ligand surface coverage, but, stoichiometrically, three sulfurs were added to each octadiyne ligand during the crosslinking step, indicating that crosslinking occurred. The effect of the crosslinking on the stability was tested with a 50:50 (volume/volume) pH 0.50 5% TFA aqueous:acetonitrile mobile phase at 70掳C for six days, over 35,000 column volumes The stationary phase showed good stability with the retention of triphenylene decreasing only 20% during that time. The Tanaka test showed that the phase has a methylene selectivity of 1.20 卤 0.04, a high shape selectivity of 2.71 卤 0.03, and a 3.98 卤 0.05 cation-exchange factor at pH 2.70. The phase has a selectivity factor for nitrobenzene and benzene of 1.41 卤 0.01, indicating the electron donating charge transfer characteristic of the phase. The mixed-mode characteristics of the phase were investigated using a mixture of the monoamine neurotransmitters norepinephrine, dopamine, and serotonin. Baseline resolution of the monoamines could be obtained using a simple 20 mM potassium phosphate (pH 2.70)/methanol mobile phase. Altering both the methanol content and the potassium ion concentration altered the retention of the monoamines indicating mixed-mode cation exchange characteristic of the crosslinked stationary phase. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Synthetic Route of 685-91-6

The Article related to ph cation exchange stationary phase thiol yne click reaction, acid stable, cation-exchange, charge-transfer, mixed-mode, thiol-yne click chemistry, Organic Analytical Chemistry: Separations and other aspects.Synthetic Route of 685-91-6

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On November 30, 2017, Abd El-Hady, Faten K.; Shaker, Kamel H.; Souleman, Ahmed M. A.; Fayad, Walid; Abdel-Aziz, Mohamed S.; Hamed, Ahmed A.; Iodice, Carmine; Tommonaro, Giuseppina published an article.HPLC of Formula: 685-91-6 The title of the article was Comparative Correlation Between Chemical Composition and Cytotoxic Potential of the Coral-Associated Fungus Aspergillus sp. 2C1-EGY Against Human Colon Cancer Cells. And the article contained the following:

Cancer is a leading cause of death in several countries. In the search for new anticancer drugs, marine organisms have played an important role in the discovery of lead compounds and the development of new pharmaceuticals for their wide diversity of chem. structures and biol. activities. In the present study, the cytotoxicity on colorectal cancer cells HCT116 exerted by marine fungus Aspergillus sp. 2C1-EGY extracts associated with the soft coral Sinularia sp. was investigated; the sub-fractions Fr 2c and Fr 2d had significantly high cytotoxic activity (88 and 85%, resp.). Moreover, the major hexadecanoic, octadecanoic, and octadecenoic acids as well as their Me esters were isolated. GC/MS anal. revealed the identification of 46 major and minor compounds, from which 19 saturated and unsaturated fatty acids and eight fatty acid esters were identified. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).HPLC of Formula: 685-91-6

The Article related to cytotoxicity coral fungus aspergillus, Placeholder for records without volume info and other aspects.HPLC of Formula: 685-91-6

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On May 12, 2020, Henschel, Henning; Andersson, Alfred T.; Jespers, Willem; Mehdi Ghahremanpour, Mohammad; van der Spoel, David published an article.Safety of N,N-Diethylacetamide The title of the article was Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields. And the article contained the following:

IR spectroscopy can provide significant insight into the structures and dynamics of mols. of all sizes. The information that is contained in the spectrum is, however, often not easily extracted without the aid of theor. calculations or simulations. We present here the calculation of the IR spectra of a database of 703 gas phase compounds with four different force fields (CGenFF, GAFF-BCC, GAFF-ESP, and OPLS) using normal-mode anal. Modern force fields increasingly use virtual sites to describe, e.g., lone-pair electrons or the 蟽-holes on halogen atoms. This requires some adaptation of code to perform normal-mode anal. of such compounds,the implementation of which into the GROMACS software is briefly described as well. For the quant. comparison of the obtained spectra with exptl. reference data, we discuss the application of two different statistical correlation coefficients, Pearson and Spearman. The advantages and drawbacks of the different methods of comparison are discussed, and we find that both methods of comparison give the same overall picture, showing that present force field methods cannot match the performance of quantum chem. methods for the calculation of IR spectra. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Safety of N,N-Diethylacetamide

The Article related to ir spectrum similarity force field database, Placeholder for records without volume info and other aspects.Safety of N,N-Diethylacetamide

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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

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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

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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

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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

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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

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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

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