Tag: 0-100

《Modeling the protein-nucleic acid base interactions through hydrogen-bonded complexes of N-heterocyclic analogs of Indene with amino acid side-chain mimics》 was written by Chopra, Neha; Chopra, Geetanjali; Kaur, Damanjit. Name: Oxetan-3-ol And the article was included in Structural Chemistry in 2020. The article conveys some information:

A series of hydrogen-bonded complexes between N-heterocyclic analogs of indene and amino acid side-chain mimics were analyzed employing second-order Moller-Plesset perturbation (MP2) theory and d. functional theory with dispersion function (DFT-D) calculations with the aim of gaining greater insight in to the nature of intermol. interactions in these systems. In this study, the hydrogen bonding ability of N-heterocyclic analogs of indene towards amino acid side-chain mimics followed the sequence azaindazole (AIND) > indazole (IND) > azaindole (AIN) > indole (IN) whereas the hydrogen bonding ability of amino acid side-chain mimics towards N-heterocyclic analogs of indene followed the sequence AcOH > MeNH2 > MeOH > MeSH. Bader’s theory of atoms in mols. (AIM) and natural bond orbitals (NBO) analyses were employed to elucidate the interaction characteristics in the complexes under study. The purpose of conducting these studies was to measure the relative strength of hydrogen bonding interactions such as N-H···O=C, N-H···O, N-H···S, N-H···N, and O-H···N in these complexes and their role in providing stability to the complexes. The AIM theory showed good correlation of the electron d. and its Laplacian at the bond critical points (BCP) with the computed stabilization energy for all the complexes under study. The results came from multiple reactions, including the reaction of Oxetan-3-ol(cas: 7748-36-9Name: Oxetan-3-ol)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Name: Oxetan-3-ol

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《Catalyst-Free N-Deoxygenation by Photoexcitation of Hantzsch Ester》 was written by Konev, Mikhail O.; Cardinale, Luana; Jacobi von Wangelin, Axel. Name: Oxetan-3-ol And the article was included in Organic Letters in 2020. The article conveys some information:

A mild and operationally simple protocol for the deoxygenation of a variety of heteroaryl N-oxides and nitroarenes has been developed. A mixture of substrate and Hantzsch ester is proposed to result in an electron donor-acceptor complex, which upon blue-light irradiation undergoes photoinduced electron transfer between the two reactants to afford the products. N-oxide deoxygenation is demonstrated with 22 examples of functionally diverse substrates, and the chemoselective reduction of nitroarenes to the corresponding hydroxylamines is also shown.Oxetan-3-ol(cas: 7748-36-9Name: Oxetan-3-ol) was used in this study.

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Name: Oxetan-3-ol

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Functional and structural characterization of the UDP-glucose dehydrogenase involved in capsular polysaccharide biosynthesis from Campylobacter jejuni》 was written by Riegert, Alexander S.; Raushel, Frank M.. Application In Synthesis of 2-Aminopropane-1,3-diolThis research focused onUDP glucose dehydrogenase Cj1441 Campylobacter structure capsular polysaccharide. The article conveys some information:

Campylobacter jejuni is a pathogenic organism that can cause campylobacteriosis in children and adults. Most commonly, campylobacter infection is brought on by consumption of raw or undercooked poultry, unsanitary drinking water, or pet feces. Surrounding the C. jejuni bacterium is a coat of sugar mols. known as the capsular polysaccharide (CPS). The capsular polysaccharide can be very diverse among the different strains of C. jejuni, and this diversity is considered important for evading the host immune system. Modifications to the CPS of C. jejuni NCTC 11168 include O-methylation, phosphoramidylation, and amidation of glucuronate with either serinol or ethanolamine. The enzymes responsible for amidation of glucuronate are currently unknown. In this study, Cj1441, an enzyme expressed from the CPS biosynthetic gene cluster in C. jejuni NCTC 11168, was shown to catalyze the oxidation of UDP-α-D-glucose into UDP-α-D-glucuronic acid with NAD+ as the cofactor. No amide products were found in an attempt to determine whether the putative thioester intermediate formed during the oxidation of UDP-glucose by Cj1441 could be captured in the presence of added amines. The three-dimensional crystal structure of Cj1441 was determined in the presence of NAD+ and UDP-glucose bound in the active site of the enzyme (Protein Data Bank entry 7KWS). A more thorough bioinformatic anal. of the CPS gene cluster suggests that the amidation activity is localized to the t-terminal half of Cj1438, a bifunctional enzyme that is currently annotated as a sugar transferase. After reading the article, we found that the author used 2-Aminopropane-1,3-diol(cas: 534-03-2Application In Synthesis of 2-Aminopropane-1,3-diol)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Halogenation, in which one or more hydrogen atoms of an amine is replaced by a halogen atom, occurs with chlorine, bromine, and iodine, as well as with some other reagents, notably hypochlorous acid (HClO). With primary amines the reaction proceeds in two stages, producing N-chloro- and N,N-dichloro-amines, RNHCl and RNCl2, respectively. With tertiary amines, an alkyl group may be displaced by a halogen.Application In Synthesis of 2-Aminopropane-1,3-diol

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銆奊raphene layers functionalized with a Janus pyrrole-based compound in natural rubber nanocomposites with improved ultimate and fracture properties銆?was written by Prioglio, Gea; Agnelli, Silvia; Conzatti, Lucia; Balasooriya, Winoj; Schrittesser, Bernd; Galimberti, Maurizio. Application In Synthesis of 2-Aminopropane-1,3-diol And the article was included in Polymers (Basel, Switzerland) in 2020. The article conveys some information:

The ultimate properties and resistance to fracture of nanocomposites based on poly(1,4-cis-isoprene) from Hevea Brasiliensis (natural rubber, NR) and a high surface area nanosized graphite (HSAG) were improved by using HSAG functionalized with 2-(2,5-dimethyl-1H-pyrrol-1-yl)propane-1,3-diol (serinol pyrrole) (HSAG-SP). The functionalization reaction occurred through a domino process, by simply mixing HSAG and serinol pyrrole and heating at 180掳C. The polarity of HSAG-SP allowed its dispersion in NR latex and the isolation of NR/HSAG-SP masterbatches via coagulation. Nanocomposites, based either on pristine HSAG or on HSAG-SP, were prepared through traditional melt blending and cured with a sulfur-based system. The samples containing HSAG-SP revealed ultimate dispersion of the graphitic filler with smaller aggregates and higher amounts of few layers stacks and isolated layers, as revealed by transmission electron microscopy. With HSAG-SP, better stress and elongation at break and higher fracture resistance were obtained. Indeed, in the case of HSAG-SP-based composites, fracture occurred at larger deformation and with higher values of load and, at the highest filler content (24 phr), deviation of fracture propagation was observed These results have been obtained with a moderate functionalization of the graphene layers (about 5%) and normal lab facilities. This work reveals a simple and scalable way to prepare tougher NR-based nanocomposites and indicates that the dispersion of a graphitic material in a rubber matrix can be improved without using an extra-amount of mech. energy, just by modifying the chem. nature of the graphitic material through a sustainable process, avoiding the traditional complex approach, which implies oxidation to graphite oxide and subsequent partial reduction In the experimental materials used by the author, we found 2-Aminopropane-1,3-diol(cas: 534-03-2Application In Synthesis of 2-Aminopropane-1,3-diol)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime.Typically the presence of an amine functional group is deduced by a combination of techniques, including mass spectrometry as well as NMR and IR spectroscopies. 1H NMR signals for amines disappear upon treatment of the sample with D2O. In their infrared spectrum primary amines exhibit two N-H bands, whereas secondary amines exhibit only one.Application In Synthesis of 2-Aminopropane-1,3-diol

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Yang, Zichen; Ma, Chaoqun; Gu, Jiao; Wu, Yamin; Zhu, Chun; Li, Lei; Gao, Hui; Zhang, Ye; Shang, Yunpeng; Wang, Chengwei; Chen, Guoqing published an article in 2021. The article was titled 《A Sensitive Surface-Enhanced Raman Spectroscopy Method for Detecting Tetracycline in Milk》, and you may find the article in Applied Spectroscopy.Recommanded Product: 4-Aminobutan-1-ol The information in the text is summarized as follows:

Tetracycline, an animal antibiotic, may remain in milk to cause harm to human health. For economic reasons, the abuse of antibiotics is becoming more and more common. Therefore, the abuse of tetracycline has alarmed the dairy industry and many countries such as New Zealand, China, and the USA have proposed strict standards Surface-enhanced Raman scattering (SERS) is an emerging detection method which has been applied in food detection with the advantages of no complex pretreatment, fast detection, and weak water environment interference. Considering the abuse of antibiotics in dairy industry, we used polydimethylsiloxane (PDMS) plasma cavity as SERS substrate to detect tetracycline in milk. We found that the enhancement ability of PDMS substrate is affected by addition of 4-amino-1-butanol and complex interplay in the milk–tetracycline system. The modified PDMS plasma cavity has high SERS sensitivity that allows us to achieve low detection limit of 0.28 μg/L. The correlation coefficient was 0.987. The detection of tetracycline in milk using PDMS substrate is quick (within 10 min) and it provides a possible method for in-site detection of tetracycline. In the experiment, the researchers used 4-Aminobutan-1-ol(cas: 13325-10-5Recommanded Product: 4-Aminobutan-1-ol)

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.Recommanded Product: 4-Aminobutan-1-ol

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Alcohol – Wikipedia,
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Liu, Jie; Xiang, Haonan; Jiang, Lvqi; Yi, Wenbin published their research in Science China: Chemistry in 2021. The article was titled 《Chemoselective desulfurization-fluorination/bromination of carbonofluoridothioates for the O-trifluoromethylation and O-bromodifluoromethylation of alcohols》.Application of 13325-10-5 The article contains the following contents:

Herein, a method for synthesizing various alkyl trifluoromethyl e.g., C6H5(CH2)5OCF3 and alkyl bromodifluoromethyl ethers e.g., C6H5(CH2)5OCF2Br using carbonofluoridothioates e.g., C6H5(CH2)5OC(S)F as precursors has been described. Carbonofluoridothioates were obtained upon the reaction of an alc. e.g., C6H5(CH2)5OH and S=CF2 generated via the decomposition of an SCF3 anion, and then selectively transformed into their corresponding trifluoromethyl and bromodifluoromethyl ethers upon changing the reaction conditions. This transformation has also been extended to the one-pot, two-step conversion of alcs. into alkyl trifluoromethyl ethers. A series of alkyl bromodifluoromethyl ethers has also been synthesized. These compounds open up a new avenue for the synthesis of a wide range of useful fluorinated products. In addition, this method is suitable for the late-stage introduction of trifluoromethyl ethers in complex small mols. In the experiment, the researchers used 4-Aminobutan-1-ol(cas: 13325-10-5Application of 13325-10-5)

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.Application of 13325-10-5

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Alcohol – Wikipedia,
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Achinivu, Ezinne C.; Frank, Skye; Baral, Nawa Raj; Das, Lalitendu; Mohan, Mood; Otoupal, Peter; Shabir, Emara; Utan, Sean; Scown, Corinne D.; Simmons, Blake A.; Gladden, John published their research in Green Chemistry in 2021. The article was titled 《Alkanolamines as Dual Functional Solvents for Biomass Deconstruction and Bioenergy Production》.SDS of cas: 534-03-2 The article contains the following contents:

This work demonstrates the feasibility of applying dual functional solvents called alkanolamines towards the conversion of biomass into biofuels. Alkanolamines have the potential to serve as effective pretreatment solvents that promote a low energy intensity, process intensification, and downstream conversion via a cost-effective route. Several key factors were considered to effectively integrate the pretreatment technol. into a biorefinery, including solvent screening (both exptl. and computationally), feedstock screening (capturing the effectiveness on softwood, hardwood, and grasses), fractionation of lignocellulose components (lignin removal), bioconversion efficacy, and a sustainability impact assessment. After a thorough and systematic optimization, the following conditions emerged for optimal process economics (i.e., shortest time, lowest temperature, and highest solid loading): pretreatment of sorghum biomass via ethanolamine (25% solvent in water) with temperature 100°C, time 1 h and solid loading 40%. These conditions generated yields of 90% glucose, 76% xylose, 59% lignin removal, and 73% solid recovery. The pretreated biomass and recovered lignin were studied using PXRD/TGA/FTIR/NMR analyses, revealing that the morphol. and crystallinity of biomass does not change after pretreatment, and recovered lignin is dominated by guaiacyl groups, which are suitable for lignin valorization. Subsequently the process was consolidated and scaled up (40X) to generate >99% sugar yields followed by a test of bioconversion using the omnivorous host R. toruloides, which converted >97% C5, C6 and phenolic into the biofuel precursor bisabolene at a titer of 1155 mg L-1. The TEA revealed that the cost of biomass deconstruction was severely reduced (up to 50%) compared to similar pretreatment methods, including ethanolamine acetate and cholinium lysinate, evaluated under the same modeling assumptions. This study has demonstrated the effectiveness and robustness of alkanolamines towards biomass processing and presents a new solvent group to be considered for biomass pretreatment within a com. biorefinery for the deconstruction of lignocellulosic biomass.2-Aminopropane-1,3-diol(cas: 534-03-2SDS of cas: 534-03-2) was used in this study.

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.SDS of cas: 534-03-2

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《Protein cation exchangers derived by charge reversal from poly(ethylenimine)-Sepharose FF: Comparisons between two derivatization routes》 was written by Xu, Rui; Li, Xianxiu; Dong, Xiaoyan; Sun, Yan. COA of Formula: C3H9NO And the article was included in Journal of Chromatography A in 2020. The article conveys some information:

It has been known that anion exchangers prepared by grafting poly(ethyleneimine) (PEI) onto Sepharose FF (PEI-Sepharose) at ionic capacities (IC) over 600 mmol/L show both high protein adsorption capacity and uptake kinetics, and charge reversal of PEI-Sepharose by modification with succinic anhydride can produce protein cation exchangers of high capacity and uptake rate. Previously, a Charge Reversal-then-Reduction procedure (route A) was studied for preparation of cation exchangers of different IC values from PEI-Sepharose. In this work, we proposed a new route, i.e., Charge Reduction-then-Reversal route (route B), to develop cation exchangers of different IC values from PEI-Sepharose FF with an IC of 700 mmol/L (FF-PEI-L700) as the starting resin. The two kinds of cation exchangers (route A, PEI-L700-CRn; route B, PEI-Rm-Cn) are compared for lysozyme (Lys) adsorption and chromatog. The two modification routes result in the difference in the ligand structures that significantly affect protein adsorption equilibrium and kinetics. Route A introduces long electroneutral groups that hinder protein adsorption and reduce equilibrium capacity. Moreover, charge reversal by reaction with succinic anhydride could cause diamide formation, which reduces remaining carboxyl groups or the IC. In the charge-reduced FF-PEI-Rm resins of the lowest IC (394 mmol/L) prepared in route B, the diamide formation was little due to the lack of primary and secondary amine groups, so its charge reversal makes a higher-IC cation exchanger. This makes PEI-Rm-Cn show a higher IC (589 mmol/L) than PEI-L700-CRn (463 mmol/L) in which De/D0 jumps about four times. The differences in the adsorption equilibrium and kinetics make the two kinds of resins behave distinctly in dynamic adsorption and chromatog. Namely, PEI-Rm-Cn resins display obviously higher dynamic binding capacities than PEI-L700-CRn resins in the IC range studied. For instance, the DBC (at 10% breakthrough) of PEI-R590-C680 (192 mg/mL) is 33% higher than that of PEI-L700-CR680 (144 mg/mL). This is proved by the purification of Lys from chicken egg white solution, in which the PEI-R590-C680 column purified Lys with a recovery yield 14% higher than the PEI-L700-CR680 column. This research thus demonstrated that Charge Reduction-then-Reversal route is superior over Charge Reversal-then-Reduction route in fabricating a high-capacity cation exchanger from PEI-Sepharose. In the part of experimental materials, we found many familiar compounds, such as 3-Aminopropan-1-ol(cas: 156-87-6COA of Formula: C3H9NO)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Amines have a free lone pair with which they can coordinate to metal centers. Amine–metal bonds are weaker because amines are incapable of backbonding, but they are still important for sensing applications.While stronger than hydrogen bonds, amine–metal bonds are still weaker than both covalent and ionic bonds.COA of Formula: C3H9NO

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In 2019,Chemical Science included an article by Stateman, Leah M.; Wappes, Ethan A.; Nakafuku, Kohki M.; Edwards, Kara M.; Nagib, David A.. HPLC of Formula: 13325-10-5. The article was titled 《Catalytic β C-H amination via an imidate radical relay》. The information in the text is summarized as follows:

The first catalytic strategy to harness imidate radicals for C-H functionalization has been developed. This iodine-catalyzed approach enables β C-H amination of alcs. e.g., 4-trichloroacetamidyl cholesterol by an imidate-mediated radical relay. In contrast to the first-generation, (super)stoichiometric protocol, this catalytic method enables faster and more efficient reactivity. Furthermore, lower oxidant concentration affords broader functional group tolerance, including alkenes (6-methyl-5-hepten-2-one, 3,7-dimethyl-2,6-octadienol), alkynes (isonicotinonitrile), alcs.(1-octanol), carbonyls (Me 2-(([(4-nitrobenzene)sulfonyl]oxy)amino)-3-phenylpropanoate) and heteroarenes (quinoline, benzofuran, benzo[b]thiophene, etc.). Mechanistic experiments interrogating the electronic nature of the key 1,5 H-atom transfer event are included, as well as probes for chemo-, regio-, and stereo-selectivity. In the part of experimental materials, we found many familiar compounds, such as 4-Aminobutan-1-ol(cas: 13325-10-5HPLC of Formula: 13325-10-5)

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.HPLC of Formula: 13325-10-5

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Jadhav, Sandip B.; Chegondi, Rambabu published their research in Organic Letters on December 20 ,2019. The article was titled 《Diastereoselective Desymmetrization of p-Quinamines through Regioselective Ring Opening of Epoxides and Aziridines》.Recommanded Product: (R)-Oxiran-2-ylmethanol The article contains the following contents:

A highly diastereoselective desymmetrization of p-quinamines via regioselective ring opening of epoxides and aziridines under mild conditions has been developed. A chairlike six-membered transition state with minimized 1,3-diaxial interactions explains the relative stereoselectivity of the cyclization reaction. This transition-metal free [3 + 3] annulation reaction provides rapid access to fused bicyclic morpholines and piperazines with a tetrasubstituted carbon center in high yields. In addition, it also allows the synthesis of enantioenriched products by using easily accessible chiral nonracemic epoxides and aziridines. In the experimental materials used by the author, we found (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Recommanded Product: (R)-Oxiran-2-ylmethanol)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Recommanded Product: (R)-Oxiran-2-ylmethanol

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