Tag: 200-300

《Regenerated Hoof Keratin from 1-Ethyl-3-Methylimidazolium Acetate and Insights into Disulfide-Ionic Liquid Interactions from MD Simulation》 was written by Apostolidou, Christina. Safety of 1,2-Diphenyldisulfane And the article was included in ChemistryOpen in 2020. The article conveys some information:

Regeneration of the hoof keratin from ionic liquids was never successful in the past because the ionic liquids were not strong enough. However, this biomaterial starts to play a central role for the preparation of biofilms in the future. In the present study, hoof keratin was regenerated for the first time from an ionic liquid by experiment and characterized by FTIR spectroscopy, Differential Scanning Calorimetry (DSC) and SEM (SEM). As 1-Ethyl-3-methylimidazolium acetate is strong enough to dissolve hooves, which have a lot of disulfide bonds, a Mol. Dynamics (MD) simulation was performed with this ionic liquid and di-Ph disulfide. The MD simulation reveals that not only the cation as postulated after experiments were carried out, but also the anion is very important for the dissolution process. This complete picture was and is not accessible via experiments and is therefore valuable for future investigations. The anion always interacts with the disulfide bond, whereas the cation prefers in some situations a strong H-O interaction with the anion. If the cations and the anions are separated from each other so that the cation can not interact with the anion, both interact with the disulfide bond. The high solvation power of this solvent is shown by the fact that the cation interacts from the left and right side and the anion from above and below the disulfide bond. The experimental part of the paper was very detailed, including the reaction process of 1,2-Diphenyldisulfane(cas: 882-33-7Safety of 1,2-Diphenyldisulfane)

1,2-Diphenyldisulfane(cas: 882-33-7) belongs to ethers.Ethers do have nonbonding electron pairs on their oxygen atoms, and they can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. Safety of 1,2-Diphenyldisulfane The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

The author of 《Orthogonal Oriented Bisanthrancene-Bridged Bis(Triarylamine) Diradical Dications: Isolation, Characterizations and Crystal Structures》 were Wang, Lei; Zhang, Li; Fang, Yong; Zhao, Yue; Tan, Gengwen; Wang, Xinping. And the article was published in Chemistry – An Asian Journal in 2019. Safety of Bis(4-methoxyphenyl)amine The author mentioned the following in the article:

Two bis(triarylamine) diradical dication salts 12+2[Al(ORF)4]- and 22+2[Al(ORF)4]- bridged with an orthogonal oriented bisanthrancene motif were synthesized. Their solid state and electronic structures were studied by various exptl. approaches in conjunction with theor. calculations Superconducting quantum interference device measurements and d. functional theory calculations reveal that both of 12+ and 22+ feature open-shell singlet ground states with rather small singlet-triplet energy gaps; thus, they can be regarded as nearly pure diradicals (biradicals). Their diradical characters are enhanced by the orthogonal configuration of the bisanthrancene moiety which demonstrates the importance of the geometry of bridging units in turning the electronic structures of bis(triarylamine) dications. In the experimental materials used by the author, we found Bis(4-methoxyphenyl)amine(cas: 101-70-2Safety of Bis(4-methoxyphenyl)amine)

Bis(4-methoxyphenyl)amine(cas: 101-70-2) is a diphenylamine derivative used as a chemical additive for cured rubber.Bis(4-methoxyphenyl)amine is highly toxic and may potentially induce chromosome abberation.Safety of Bis(4-methoxyphenyl)amine

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

The author of 《Synthesis of α-Trifluoromethylacrylates by Ligand-Free Palladium-Catalyzed Mizoroki-Heck Reaction》 were Xiao, Pan; Schlinquer, Claire; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel. And the article was published in Journal of Organic Chemistry in 2019. Formula: C7H7IO The author mentioned the following in the article:

Efficient ligand-free palladium catalyzed Mizoroki-Heck reaction allowed the formation of trisubstituted α-trifluoromethylacrylates. The reaction showed good chem. tolerance and furnished moderate to excellent yields of reaction. Silver salt additive proved to be essential for the reaction. The reaction has been then applied to the formation of 3-trifluoromethyl coumarins and analogs of therapeutic agents. In the experimental materials used by the author, we found 1-Iodo-2-methoxybenzene(cas: 529-28-2Formula: C7H7IO)

1-Iodo-2-methoxybenzene(cas: 529-28-2) participates in palladium catalyzed enantioselective Heck arylation of 2,3-dihydrofuran in the presence of chiral ionic liquids containing L-prolinate and L-lactate anions and non-chiral quaternary ammonium cations.Formula: C7H7IO

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Product Details of 101-70-2In 2019 ,《Quinoxaline based amines as blue-orange emitters: Effect of modulating donor system on optoelectrochemical and theoretical properties》 appeared in Dyes and Pigments. The author of the article were Kanekar, Deepali N.; Chacko, Sajeev; Kamble, Rajesh M.. The article conveys some information:

A series of eight novel donor-acceptor based quinoxaline-amine derivatives 2-9 were prepared by modulating donor species on quinoxaline core with Buchwald-Hartwig coupling amination reaction. The synthesized mols. were fully characterized and studied for impact of D-A interaction on optoelectrochem. properties of derivatives Absorption spectra of 2-9 display intramol. charge transfer (ICT) transitions in the range of 377-456 nm. Dyes 2-9 show pos. solvatochromism in emission and emit in blue-orange region with emission maxima 472-592 nm on excitation at their resp. ICT maxima in toluene, chloroform, DCM and neat solid film. Herein, dyes 2, 3 and 7 which possess intense emission in solid state were further studied for Aggregation Induced Emission (AIE) effect. The HOMO and LUMO energy level for compound 2-9 obtained by CV were found in the range of -5.23 to -5.83 eV and -3.55 to -3.74 eV. Theor. studies of mols. were also carried out by using TD-DFT calculations The comparable HOMO and LUMO energy level of 2-9 with reported ambipolar materials and efficient solid state emission make synthesized compounds potential candidate for solid state emissive, ambipolar materials in organic electronics. The experimental part of the paper was very detailed, including the reaction process of Bis(4-methoxyphenyl)amine(cas: 101-70-2Product Details of 101-70-2)

Bis(4-methoxyphenyl)amine(cas: 101-70-2) is a diphenylamine derivative used as a chemical additive for cured rubber.Bis(4-methoxyphenyl)amine is highly toxic and may potentially induce chromosome abberation.Product Details of 101-70-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Xia, Yingchun; Song, Ziyuan; Tan, Zhengzhong; Xue, Tianrui; Wei, Shiqi; Zhu, Lingyang; Yang, Yingfeng; Fu, Hailin; Jiang, Yunjiang; Lin, Yao; Lu, Yanbing; Ferguson, Andrew L.; Cheng, Jianjun published an article in 2021. The article was titled 《Accelerated polymerization of N-carboxyanhydrides catalyzed by crown ether》, and you may find the article in Nature Communications.Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane The information in the text is summarized as follows:

The recent advances in accelerated polymerization of N-carboxyanhydrides (NCAs) enriched the toolbox to prepare well-defined polypeptide materials. Herein we report the use of crown ether (CE) to catalyze the polymerization of NCA initiated by conventional primary amine initiators in solvents with low polarity and low hydrogen-bonding ability. The cyclic structure of the CE played a crucial role in the catalysis, with 18-crown-6 enabling the fastest polymerization kinetics. The fast polymerization kinetics outpaced common side reactions, enabling the preparation of well-defined polypeptides using an α-helical macroinitiator. Exptl. results as well as the simulation methods suggested that CE changed the binding geometry between NCA and propagating amino chain-end, which promoted the mol. interactions and lowered the activation energy for ring-opening reactions of NCAs. This work not only provides an efficient strategy to prepare well-defined polypeptides with functionalized C-termini, but also guides the design of catalysts for NCA polymerization The results came from multiple reactions, including the reaction of 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2016,Yamaura, Kei; Kiyonaka, Shigeki; Numata, Tomohiro; Inoue, Ryuji; Hamachi, Itaru published 《Discovery of allosteric modulators for GABAA receptors by ligand-directed chemistry》.Nature Chemical Biology published the findings.Electric Literature of C9H19NO4 The information in the text is summarized as follows:

The fast inhibitory actions of γ-aminobutyric acid (GABA) are mainly mediated by GABAA receptors (GABAARs) in the brain. The existence of multiple ligand-binding sites and a lack of structural information have hampered the efficient screening of drugs capable of acting on GABAARs. The authors have developed semisynthetic fluorescent biosensors for orthosteric and allosteric GABAAR ligands on live cells via coupling of affinity-based chem. labeling reagents to a bimol. fluorescence quenching and recovery system. These biosensors were amenable to the high-throughput screening of a chem. library, leading to the discovery of new small mols. capable of interacting with GABAARs. Electrophysiol. measurements revealed that one hit, 4,4′,4”-(4-propyl-[1H]-pyrazole-1,3,5-triyl)trisphenol (PPT), was a novel neg. allosteric modulator capable of strongly suppressing GABA-induced chloride currents. Thus, these semisynthetic biosensors represent versatile platforms for screening drugs to treat GABAAR-related neurol. disorders, and this strategy can be extended to structurally complicated membrane proteins. After reading the article, we found that the author used tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6Electric Literature of C9H19NO4)

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers.The C-O bonds that comprise simple ethers are strong. Electric Literature of C9H19NO4 They are unreactive toward all but the strongest bases. Although generally of low chemical reactivity, they are more reactive than alkanes.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2015,Wold, Erik D.; Axup, Jun Y.; Felding, Brunhilde H.; Smider, Vaughn V. published 《Fc-small molecule antibody mimetics》.Bioconjugate Chemistry published the findings.Synthetic Route of C9H19NO4 The information in the text is summarized as follows:

Antibody therapeutics are a promising drug class due to their high specificity and favorable pharmacokinetics. While there are many methods for the development of antibodies specific to disease associated antigens, selecting antibodies against functional epitopes with high specificity and affinity can be difficult for certain epitopes. We describe a generalizable method for synthesizing antibody mimetics by site specifically conjugating small mols. (with high affinity and specificity to disease associated antigens) to an Fc fragment to develop drugs with the benefits of an antibody. As a proof of concept, an E269pAcPhe Fc antibody Fc fragment was produced and subsequently site-specifically labeled with a linker-modified folic acid compound to generate an Fc-folic acid antibody-mimetic. This was chosen as the model system because the high-affinity folate receptor FR-α is highly expressed in a number of cancer types including breast and ovarian cancer. The specificity of the Fc-folic acid conjugate was assessed via flow cytometry with the folate-receptor pos. breast cancer cell line MDA-MB-231 by measuring Fc-folic acid binding in both the absence and presence of an excess of folic acid. Fc-small mol. conjugates could be developed into a unique class of antibody-like therapeutics. In addition to this study using tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate, there are many other studies that have used tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6Synthetic Route of C9H19NO4) was used in this study.

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers.Synthetic Route of C9H19NO4Although ethers resist hydrolysis, they are cleaved by hydrobromic acid and hydroiodic acid. Hydrogen chloride cleaves ethers only slowly.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2012,Gule, Nonjabulo P.; Bshena, Osama; de Kwaadsteniet, Michele; Cloete, Thomas E.; Klumperman, Bert published 《Immobilized Furanone Derivatives as Inhibitors for Adhesion of Bacteria on Modified Poly(styrene-co-maleic anhydride)》.Biomacromolecules published the findings.SDS of cas: 139115-91-6 The information in the text is summarized as follows:

The ability of brominated furanones and other furanone compounds with 2(3H) and 2(5H) cores to inhibit bacterial adhesion of surfaces as well deactivate (destroy) them has been previously reported. The furanone derivatives 4-(2-(2-aminoethoxy))-2,5-dimethyl-3(2H)-furanone and 5-(2-(2-aminoethoxy)-ethoxy)methyl-2(5H)-furanone were synthesized in our laboratory These furanone derivatives were then covalently immobilized onto poly(styrene-co-maleic anhydride) (SMA) and electrospun to fabricate nonwoven nanofibrous mats with antimicrobial and cell-adhesion inhibition properties. The electrospun nanofibrous mats were tested for their ability to inhibit cell attachment by strains of bacteria commonly found in water (Klebsiella pneumoniae Xen 39, Staphylococcus aureus Xen 36, E. coli Xen 14, Pseudomonas aeruginosa Xen 5, and Salmonella typhimurium Xen 26). 1H NMR, electrospray mass spectroscopy (ES-MS), and attenuated total reflectance FTIR spectroscopy (ATR-FTIR) were used to confirm the structures of the synthesized furanones as well as their successful immobilization on SMA. To ascertain that the immobilized furanone compounds do not leach into filtered water, samples of water, filtered through the nanofibrous mats were analyzed using gas chromatog. coupled with mass spectroscopy (GC-MS). The morphol. of the electrospun nanofibers was characterized using SEM.tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6SDS of cas: 139115-91-6) was used in this study.

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers. Ethers lack the hydroxyl groups of alcohols. SDS of cas: 139115-91-6 Without the strongly polarized O―H bond, ether molecules cannot engage in hydrogen bonding with each other.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Product Details of 882-33-7In 2022 ,《NFSI-catalyzed S-S bond exchange reaction for the synthesis of unsymmetrical disulfides》 was published in Chinese Chemical Letters. The article was written by Song, Mengjie; Hu, Qingyue; Li, Zheng-Yi; Sun, Xiaoqiang; Yang, Ke. The article contains the following contents:

The metal-free S-S bond exchange reaction of sym. disulfides catalyzed by NFSI was described. This novel protocol provided a facile and efficient approach to accessing important unsym. disulfides. Furthermore, this strategy could also be utilized in the late-stage functionalization of amino acids, drugs, and natural products. The broad substrate scope, good functional group tolerance and easy accessibility of catalyst indicate that this strategy afforded a green and practical complementary method to various unsym. disulfides.1,2-Diphenyldisulfane(cas: 882-33-7Product Details of 882-33-7) was used in this study.

1,2-Diphenyldisulfane(cas: 882-33-7) belongs to ethers.The C-O bonds that comprise simple ethers are strong. Product Details of 882-33-7 They are unreactive toward all but the strongest bases. Although generally of low chemical reactivity, they are more reactive than alkanes.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2022,Rakipov, Ilnaz T.; Semenov, Konstantin N.; Petrov, Artem A.; Akhmadiyarov, Aydar A.; Khachatrian, Artashes A.; Gainutdinova, Aliya Z.; Varfolomeev, Mikhail A. published an article in Thermochimica Acta. The title of the article was 《Thermochemistry of hydrogen bonding of ethers with aliphatic alcohols》.Application of 33100-27-5 The author mentioned the following in the article:

In present work an enthalpies of solution at infinite dilution and solvation of ethers (di-Et ether, diglyme, 1,4-dioxane, 12-crown-4 and 15-crown-5) in aliphatic alcs. at 298.15 K and enthalpies of aliphatic alcs., alkanes in ethers were determined The enthalpies of hydrogen bonding for these systems were calculated using exptl. data. The hydrogen bond enthalpies of ethers in alcs. are significantly lower by absolute values than the enthalpies of hydrogen bonding in the complexes 1:1 of alcs. in ethers solution due to reorganization effects of aliphatic alcs. as a solvent (breaking of solvent-solvent hydrogen bonds). The cooperative effects in multi-particle complexes of alcs. with ethers were evaluated taking into account reorganization effect.1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Application of 33100-27-5) was used in this study.

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Application of 33100-27-5

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem