Kuznetsova, Ksenia G. et al. published their research in Journal of Proteomics in 2021 |CAS: 79-07-2

The Article related to cysteine alkylation methionine shotgun proteomics, Placeholder for records without volume info and other aspects.Category: amides-buliding-blocks

On January 16, 2021, Kuznetsova, Ksenia G.; Levitsky, Lev I.; Pyatnitskiy, Mikhail A.; Ilina, Irina Y.; Bubis, Julia A.; Solovyeva, Elizaveta M.; Zgoda, Victor G.; Gorshkov, Mikhail V.; Moshkovskii, Sergei A. published an article.Category: amides-buliding-blocks The title of the article was Cysteine alkylation methods in shotgun proteomics and their possible effects on methionine residues. And the article contained the following:

In order to optimize sample preparation for shotgun proteomics, we compared four cysteine alkylating agents: iodoacetamide, chloroacetamide, 4-vinylpyridine and Me methanethiosulfonate, and estimated their effects on the results of proteome anal. Because alkylation may result in methionine modification in vitro, proteomics data were searched for methionine to isothreonine conversions, which may mimic genomic methionine to threonine substitutions found in proteogenomic analyses. We found that chloroacetamide was superior to the other reagents in terms of the number of identified peptides and undesirable off-site reactions. Among the reagents evaluated, iodoacetamide increased the rate of methionine-to-isothreonine conversion, especially if the sample was prepared in gel. The presence of proline following methionine in a protein sequence increased the modification rate as well. Generally, the methionine-to-isothreonine conversion events were relatively rare, but should be taken into account in proteogenomic studies when searching for single nucleotide polymorphism events at the protein level. Addnl., we have evaluated other methionine modifications, such as oxidation and carbamidomethylation. We found that carbamidomethylation may affect up to 80% of peptides containing methionine under the condition of iodoacetamide alkylation. In this case, carbamidomethylation of methionine is more common than oxidation and should be accounted for as a variable modification during proteomic search. One of the most trending questions in bottom-up proteomics is the depth of proteome profiling, in other words, the coverage of proteins by identified tryptic peptides. In proteogenomics, where the identification of a single peptide, e.g. bearing an amino acid substitution, may be of interest, high sequence coverage is especially important. Chem. modifications during sample preparation may mimic biol. significant coding mutations at the proteome level. A typical example of such modification is methionine to isothreonine conversion during alkylation, which mimics methionine to threonine substitution in protein sequences due to resp. genomic mutations. Therefore, the studies on the proper selection of alkylating reagents which balance the cysteine alkylation efficiency and the extent of methionine conversion upon conventional proteomic sample preparation workflow are crucial for the outcome of proteogenomic analyses and should present a general interest for the proteomic community. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Category: amides-buliding-blocks

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Li, Xiaoqin et al. published their research in International Journal of Food Properties in 2021 |CAS: 144-80-9

The Article related to veterinary drug residue mass spectrum library, Placeholder for records without volume info and other aspects.Reference of N-((4-Aminophenyl)sulfonyl)acetamide

Li, Xiaoqin; Fang, Zhijuan; He, Xinye; Zhang, Shuqin; Ding, Hongliu; Ye, Hu published an article in 2021, the title of the article was Optimization of 204 veterinary drug residues method and establishing their mass spectrum library.Reference of N-((4-Aminophenyl)sulfonyl)acetamide And the article contains the following content:

A multi-class multi-residue anal. method was validated in this paper for simultaneously identifying 204 veterinary drugs in pork by UPLC-QTRAP MS/MS, including sulfonamides, quinolones, 尾-agonists, and nitroimidazoles. MRM-IDA-EPI mode of QTRAP was used to establish a secondary mass spectrum library of these 204 veterinary drugs, which could enhance the qual. anal. of suspect substances. The separation of substances was performed on a C18 column, with a gradient elution of 0.1% formic acid solution in water and methanol. Electrospray ionization (ESI), fast polarity switching, and scheduled MRM mode were used to collect the characterization results. Factors that affected the recovery were delicately optimized, such as solvent proportion, formic acid content, and purification method. We finally determined the extracting method with formic acid-acetonitrile-water (0.1:90:10, v:v:v) and purifying method with Cleanert LipoNo as a package for dispersive solid-phase extraction Matrix effects on the quant. results were also investigated. Some compounds had strong matrix inhibition or enhancement, and the matrix matching external standard method was used to quantify the compounds accurately. The correlation coefficient R2 was over 0.99 within the calibration linearity range for the detected 204 veterinary drugs. The limit of quantification (LOQ) was 0.5 鈭?5 渭g/kg. The recoveries ranged from 61.4% to 118.8% with RSDs of 3.1% to 19.2% (n = 6). The experimental process involved the reaction of N-((4-Aminophenyl)sulfonyl)acetamide(cas: 144-80-9).Reference of N-((4-Aminophenyl)sulfonyl)acetamide

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Bawar, Khirsten Marie et al. published their research in Asian Journal of Biological and Life Sciences in 2021 |CAS: 102-07-8

The Article related to waterborne pathogen quorum sensing inhibitor, Placeholder for records without volume info and other aspects.COA of Formula: C13H12N2O

Bawar, Khirsten Marie; Cruz, Leannie Praise; Ilao, Kristine Bernadette; Justiniano, Julianne Mica; Panganiban, Lara Mae; Fabito, Diane Laine; Amayun, Christine Joy; Nas, John Sylvester published an article in 2021, the title of the article was In silico identification of novel compounds as quorum-sensing inhibitors in selected waterborne pathogens.COA of Formula: C13H12N2O And the article contains the following content:

Quorum sensing (QS) is a process involved in producing, detecting, responding, and releasing signaling mols. to maintain physiol. activities of most utilized by both gram-pos. and gram-neg. bacteria in various environmental conditions. This study aims to identify novel compounds that have potential QS inhibitory mechanisms against the gram-pos. bacteria Staphylococcus aureus (S. aureus) and Streptococcus pneumoniae (S. pneumoniae), and the gram-neg. bacteria Salmonella typhi (S. typhi) and Escherichia coli (E. coli). Compounds that are structurally similar to the known QS inhibitors were identified using ligand-based screening. Candidate compounds with 40 to 80% similarity with the known QS inhibitors were further evaluated through mol. docking with the QS-associated enzymes, namely ComA, ComE, LsrF, LsrK, AgrC, AgrA, LsrB, and Hfq. The binding affinity was visualized to identify the different non-covalent binding interactions. Compounds with <-8.0 kcal/mol docking score were considered for evaluation for their distribution coefficient (LogD) at different optimal growth of the bacteria, such as pH 4, 6, 7.4, 7.8, 8, and 9. Out of the 63 compounds evaluated, only three compounds demonstrated a high binding affinity, namely 1-phenyl-3-[5-(phenylcarbamoylamino)naphthalen-1-yl]urea and 1-naphthalen1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea with ComE of S. pneumoniae and 3-[(4-Methylphenyl)sulfonyl][1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one to AgrA of S. aureus. Their high binding affinity may be attributed to the numerous hydrogen bonds and hydrophobic interactions. However, only 3-[(4-Methylphenyl)sulfonyl][1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one has comparable LogD value with its QS inhibitor of AgrA, savarin, at the optimal growth pH for S. aureus. These findings suggest that the use of 3-[(4-Methylphenyl)sulfonyl][1,2,3]triazolo[1,5-a] quinazolin-5(4H)-one may be effective in controlling S. aureus growth probably through inhibition of AgrA. However, further studies are needed to confirm these findings. The experimental process involved the reaction of 1,3-Diphenylurea(cas: 102-07-8).COA of Formula: C13H12N2O

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Henschel, Henning et al. published their research in Journal of Chemical Theory and Computation in 2020 |CAS: 685-91-6

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

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

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Saluti, Giorgio et al. published their research in Separations in 2021 |CAS: 144-80-9

The Article related to egg sample antibiotic residue survey italy, Placeholder for records without volume info and other aspects.Electric Literature of 144-80-9

Saluti, Giorgio; Colagrande, Maria Novella; Castellani, Federica; Ricci, Matteo; Diletti, Gianfranco; Scortichini, Giampiero published an article in 2021, the title of the article was Survey on Antibiotic Residues in Egg Samples in Italy.Electric Literature of 144-80-9 And the article contains the following content:

The presence of antibiotic residue in eggs is a current issue due to the increasingly important phenomenon of antibiotic resistance. A multiclass, confirmatory method for the determination of seventy-three antimicrobial agents (amphenicols, cephalosporins, diaminopyrimidines, lincosamides, macrolides, penicillins, pleuromutilins, quinolones, sulfonamides, and tetracyclines) with liquid chromatog. high-resolution mass spectrometry was applied to 200 egg samples collected from 119 Italian farms during the years 2018-2021. The experimental process involved the reaction of N-((4-Aminophenyl)sulfonyl)acetamide(cas: 144-80-9).Electric Literature of 144-80-9

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Huang, Linjie et al. published their research in Macromolecular Chemistry and Physics in 2020 |CAS: 79-07-2

The Article related to polypeptide thermoresponsive polymer ucst, Placeholder for records without volume info and other aspects.Related Products of 79-07-2

On July 15, 2020, Huang, Linjie; Sun, Liwei; Zhou, Congping; Ling, Ying; Lu, Hua; Luan, Shifang; Tang, Haoyu published an article.Related Products of 79-07-2 The title of the article was Preparation and Properties of UCST-Type Thermoresponsive Polypeptide Bearing Amide Pendants. And the article contained the following:

Thermoresponsive polypeptides bearing amide pendants with an upper critical solution temperature (UCST) under physiol. relevant solution conditions are developed. A series of poly(纬-propanyl-L-glutamate)s bearing amide pendants (PPLGn-Am) with different mol. weight (or d.p., DP) is prepared by copper mediated 1,3-dipolar cycloaddition While fourier transform infra-red and CD anal. reveal random coil conformation of the PPLGn-Am in the solid-state and in aqueous solutions, resp., PPLGn-Am shows reversible UCST-type phase behaviors in deionized water (DI) water and phosphate-buffered saline. Variable temperature UV-vis spectroscopy indicates that the UCST-type cloud point temperature (Tcp) in the range of 25-75 掳C can be readily tuned by mol. weight (or DP), polymer concentration, and incorporation of hydrophobic (i.e., n-hexyl) pendants. Moreover, PPLGn-Am is readily degraded by proteinase K within 48 h. The results indicate that UCST-type thermoresponsive and biodegradable polypeptides in aqueous solutions can be constructed by conjugation of amide pendants which shall provide guidance for future UCST polymer designs. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Related Products of 79-07-2

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Abd El-Hady, Faten K. et al. published their research in Current Microbiology in 2017 |CAS: 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

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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Zahoranszky-Kohalmi, Gergely et al. published their research in Journal of Chemical Information and Modeling in 2022 |CAS: 79-07-2

The Article related to synthesis graphs pruning algorithm, Placeholder for records without volume info and other aspects.Reference of 2-Chloroacetamide

On May 9, 2022, Zahoranszky-Kohalmi, Gergely; Lysov, Nikita; Vorontcov, Ilia; Wang, Jeffrey; Soundararajan, Jeyaraman; Metaxotos, Dimitrios; Mathew, Biju; Sarosh, Rafat; Michael, Samuel G.; Godfrey, Alexander G. published an article.Reference of 2-Chloroacetamide The title of the article was Algorithm for the Pruning of Synthesis Graphs. And the article contained the following:

Synthesis route planning is in the core of chem. intelligence that will power the autonomous chem. platforms. In this task we rely on algorithms to generate possible synthesis routes with the help of retro- and forward-synthetic approaches. Generated synthesis routes can be merged into a synthesis graph which represents theor. pathways to the target mol. However, it is often required to modify a synthesis graph due to typical constraints. These constraints might include “undesirable substances”, e.g., an intermediate that the chemist does not favor, or substances that might be toxic. Consequently, we need to prune the synthesis graph by the elimination of such undesirable substances. Synthesis graphs can be represented as directed (not necessarily acyclic) bipartite graphs, and the pruning of such graphs in the light of a set of undesirable substances has been an open question. In this study, we present the Synthesis Graph Pruning (SGP) algorithm that addresses this question. The input to the SGP algorithm is a synthesis graph, and a set of undesirable substances. Furthermore, information for substances is provided as metadata regarding their availability from inventory. The SGP algorithm operates with a simple local rule set, in order to determine which nodes and edges need to be eliminated from the synthesis graph. In this study, we present the SGP algorithm in details and provide several case studies that demonstrate the operation of the SGP algorithm. We believe that the SGP algorithm will be an essential component of computer aided synthesis planning. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Reference of 2-Chloroacetamide

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Mulualem, Yared Fikadu et al. published their research in Bulletin of the Chemical Society of Ethiopia in 2021 |CAS: 456-12-2

The Article related to ligustrum vulgare phoenix reclinata olea africana metal toothbrush ethiopia, Mammalian Pathological Biochemistry: Other and other aspects.Computed Properties of 456-12-2

Mulualem, Yared Fikadu; Chandravanshi, Bhagwan Singh published an article in 2021, the title of the article was Assessment of metals content of widely used traditional toothbrushes in Addis Ababa, Ethiopia.Computed Properties of 456-12-2 And the article contains the following content:

Traditional toothbrushes are used by the vast majority of people who cannot afford to buy the com. toothbrush and toothpaste. The traditional toothbrushes are generally obtained from any slim woody part of a toothbrush tree. The main purpose of this study was to determine selected metals (Ca, Fe, Mg, Al, Cu, Cr, Ni, Zn, Mn, Pb, and Cd) in traditional toothbrushes obtained from three plants including Ligustrum vulgare L., Phoenix reclinata and Olea africana, which are extensively used in Addis Ababa, Ethiopia, by using microwave plasma-at. emission spectroscopy (MP-AES) after wet digestion. Recoveries of the metals in spiked samples varied from 90.4-107%. The overall mean concentrations determined (mg/kg, dry weight) were in the ranges of Ca (4267-36514) > Fe (131-318) > Al (81.6-224) > Mg (45.6-122) > Zn (27.2-175) > Mn (20.1-29) > Cu (6.6- 20.3) > Cr (6.7-8.9) > Ni (2.6-7.9). Anal. of variance at 95% indicated significant differences in the metals’ contents of three toothbrushes. The results indicated that the selected traditional toothbrushes are good sources of essential metals and free from Pb and Cd. Therefore, the investigated Ethiopian traditional toothbrushes are found to be safe for human use. The experimental process involved the reaction of N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide(cas: 456-12-2).Computed Properties of 456-12-2

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Shields, Erin P. et al. published their research in Journal of Chromatography A in 2020 |CAS: 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

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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