Tag: M.W:200-300

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 33941-15-0, is researched, SMILESS is O1CCOCCOCCOCCOCCNCC1, Molecular C12H25NO5Journal, Article, Chemistry – A European Journal called Hexabenzocoronene Graphitic Nanocoils Appended with Crown Ethers: Supramolecular Chirality Induced by Host-Guest Interaction, Author is Zeng, Wang; Zhang, Wei; Li, Xianying; Jin, Wusong; Zhang, Dengqing, the main research direction is hexabenzocoronene graphitic nanocoil inclusion reaction chirality UV CD; crown ether; hexa-peri-hexabenzocoronene; host-guest interactions; induced helical chirality; nanocoils.Recommanded Product: 33941-15-0.

We have designed and synthesized two new achiral hexa-peri-hexabenzocoronene (HBC) derivatives, HBCCE and HBCTEG-CE, which bear the crown ether as the pendant for the amino acid binding site. The HBCCE self-assembled into a racemic mixture of P- and M-handed helical nanocoils, however, in the presence of chiral amino acid guests, it formed helical nanocoils with one-handed screw sense. The effects of the concentration, type and configuration of the guests on the induced CD (ICD) during the co-assembly of HBCCE with chiral amino acids were also investigated. Addnl., after complete removal of the chiral guests, the optically active nanocoils did not racemize, even in the presence of excess amino acids with the opposite configuration. In contrast, HBCTEG-CE with a long triethylene glycol (TEG) chain between the crown ether group and the HBC unit did not exhibit ICD during the co-assembly with chiral amino acids.

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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Food Chemistry called Increasing calcium phosphate aqueous solubility and spontaneous supersaturation combining citrate and gluconate with perspectives for functional foods, Author is de Zawadzki, Andressa; Liu, Xiao-Chen; Ahrne, Lilia M.; Skibsted, Leif H., which mentions a compound: 527-07-1, SMILESS is O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C([O-])=O.[Na+], Molecular C6H11NaO7, Reference of Sodium Gluconate.

Uptake of calcium from food depends on solubility of calcium salts in the intestines, and precipitation of calcium phosphates decreases bioaccessibility of food calcium. Citrate as a high affinity complex binder for calcium was found spontaneously to create strongly supersaturated solutions by rapid dissolution of calcium hydrogen phosphate characterized by short lag phases for precipitation Gluconate with weaker affinity for calcium binding showed longer lag phases for precipitation from supersaturated solutions For citrate/gluconate combinations, the highest degree of supersaturation with longest lag phases for precipitation were found by trial-and-error experiments for a citrate/gluconate ratio of 1:10 for dissolution of calcium hydrogen phosphate resulting in supersaturation factors around three and without precipitation for more than a month. The aim of the present study was to provide a physicochem. explanation of this robust supersaturation Calcium speciation based on electrochem. calcium activity measurement identified a low [Ca2+]·[HCitr2-] product as critical for supersaturation

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Benzoxazole – Wikipedia,
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Jagleniec, Damian; Ziach, Krzysztof; Dabrowa, Kajetan; Romanski, Jan published the article 《The effect of substitution pattern on binding ability in regioisomeric ion pair receptors based on an aminobenzoic platform》. Keywords: nitrophenylurea azacrown ether inclusion compound mol recognition substitution effect; NMR spectroscopy; UV-Vis spectroscopy; ion pair receptors; molecular recognition; salt binding; substitution effects.They researched the compound: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane( cas:33941-15-0 ).Computed Properties of C12H25NO5. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:33941-15-0) here.

A series of ditopic ion pair receptors equipped with 4-nitrophenylurea and 1-aza-18-crown-6-ether linked by ortho-(1), meta-(2), and para-(3) substituted benzoic acid were readily synthesized in three steps from com. available materials. The binding properties of these regioisomeric receptors were determined using UV-vis and 1H NMR spectroscopy in MeCN and in the solid state by single-crystal X-ray diffraction crystallog. The solution studies revealed that, apart from carboxylates, all the anions tested formed stronger complexes in the presence of sodium cations. Receptors 2 and 3 were found to interact with ion pairs with remarkably higher affinity than ortho-substituted 1. 1H NMR titration experiments showed that both urea NH protons interacted with anions with comparable strength in the case of receptors 2 and 3, but only one of the NHs was effective in anion binding in the case of receptor 1. X-ray anal. of the crystal structure of receptor 1 and 1·NaPF6 complex showed that binding was hampered due to the formation of an intramol. hydrogen bond. Anal. of the crystal structures of 2·NaBr and 3·NaBr complexes revealed that proper mutual orientation of binding domains was responsible for the improved binding of the sodium salts.

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Benzoxazole – Wikipedia,
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Related Products of 33941-15-0. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, is researched, Molecular C12H25NO5, CAS is 33941-15-0, about Design and characterization of a 2-(2′-hydroxyphenyl)benzimidazole-based Sr2+-selective fluorescent probe in organic and micellar solution systems. Author is Akutsu-Suyama, Kazuhiro; Mori, Seiji; Hanashima, Takayasu.

A novel Sr2+ fluorescent probe, N-(2-hydroxy-3-(1H-benzimidazol-2-yl)-phenyl)-1-aza-18-crown-6-ether (BIC), was synthesized and its fluorescence properties, equilibrium, and local structure in solution were studied in detail. The fluorescence intensity of BIC in DMSO was enhanced selectively upon addition of Sr2+ but not Na+, K+, Mg2+, Ca2+, and Ba2+. To employ this rather hydrophobic BIC probe in aqueous media, a sodium laurate (LaNa) micellar solution was used as a good solvent. The detection limit of said LaNa micelle-BIC system (2.02μM) is lower than that of the H2O system (309μM), but higher than that of the DMSO system (0.04μM). Therefore, it is clear that the LaNa micelles have an effect on the detection of Sr2+ by BIC in aqueous solutions Further structural studies by extended X-ray absorption fine structure and speciation analyses revealed that BIC undergoes complexation equilibrium corresponding to the formation of [Sr(BIC)]+ species in all solution types. It was concluded that the changes in the Sr2+-BIC fluorescence in solution are attributed to the formation of such [Sr(BIC)]+ complexes.

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Benzoxazole – Wikipedia,
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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, is researched, Molecular C12H25NO5, CAS is 33941-15-0, about Switch-on diketopyrrolopyrrole-based chemosensors for cations possessing Lewis acid character.COA of Formula: C12H25NO5.

For the first time diketopyrrolopyrroles (DPPs) have been synthesized directly from nitriles possessing (aza)crown ethers leading to macrocycle-dye hybrids. Depending on the nature of the linkage between DPP and macrocyclic ring, various coordination effects are found. The strong interaction of the cations possessing Lewis acid character such as Li+, Mg2+ and Zn2+ with 2-aminopyridin-4-yl-DPPs, leading to a bathochromic shift of both emission and absorption, as well as to strong enhancement of fluorescence was rationalized in terms of strong binding of these cations to the N=C-NR2 functionality. The same effect has been observed for protonation. Depending on the size and the structure of the macrocyclic ring the complexation of cations by aza-crown ethers plays an important but secondary role. The interaction of Na+ and K+ with 2-aminopyridin-4-yl-DPPs leads to moderate enhancement of fluorescence due to the aza-crown ethers binding. The very weak fluorescence of DPP bearing 2-dialkylamino-pyridine-4-yl substituents is due to the closely lying T2 state and the resulting intersystem crossing.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Reference of 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, is researched, Molecular C12H25NO5, CAS is 33941-15-0, about Covalently decorated crown ethers on magnetic graphene oxides as bi-functional adsorbents with tailorable ion recognition properties for selective metal ion capture in water. Author is Nisola, Grace M.; Parohinog, Khino J.; Cho, Min Kyung; Burnea, Francis Kirby B.; Lee, Jin Yong; Seo, Jeong Gil; Lee, Seong-Poong; Chung, Wook-Jin.

Metal ions (Mn+) in water are considered as environmental pollutants, as industrial impurities or as potential secondary sources for valuable metals. Increasing generation of complex feed streams has raised the need for more specialized adsorbents that could preferentially capture the target Mn+. While graphene oxide (GO) is an effective adsorbent, its indiscriminate sequestration neg. affects its selectivity. To meet the growing demand for more Mn+-selective materials, GO adsorbents with dual features of ion recognition and magnetic responsiveness were developed. The bi-functional GOs were fabricated by in-situ nucleation of Fe3O4 nanoclusters on GO oxygenous groups and by direct grafting of ethynylbenzene linkers on its backbone, which served as tethering sites for the macrocyclic crown ether (CEs) ligands with tunable Mn+ affinities (i.e. CE@Fe3O4-rGO). As proof-of-concept, 12CE4@Fe3O4-rGO was proven highly selective for Li+ capture, achieving α = 367-14,513 against Na+, K+, Mg2+, Ca2+ in seawater. Its Langmuir-type Li+ adsorption achieved nearly ∼100% 12CE4 utilization (1.03 mmol g-1 CE loading). Its pseudo-second uptake rate demonstrated its rapid Li+ capture. 12CE4@Fe3O4-rGO is water-dispersible, magnetically retrievable, and recyclable with consistent Li+ uptake performance. By replacing the CEs with aza15CE5, aza18CE6 and dibenzo-24CE8, three more types of CE@Fe3O4-rGOs (1.24-1.71 mmol CE g-1) were successfully synthesized with varying affinities towards heavy metals, radionuclides and alkali metal ions. These findings highlight the versatility of the proposed technique in producing a wide selection of CE@Fe3O4-rGOs which can be used for selective Mn+ capture in various application for water decontamination, salts removal, and resource recovery.

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Benzoxazole – Wikipedia,
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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Physical Chemistry Chemical Physics called Proton in the ring: spectroscopy and dynamics of proton bonding in macrocycle cavities, Author is Gamez, Francisco; Aviles-Moreno, Juan R.; Berden, Giel; Oomens, Jos; Martinez-Haya, Bruno, which mentions a compound: 33941-15-0, SMILESS is O1CCOCCOCCOCCOCCNCC1, Molecular C12H25NO5, Application In Synthesis of 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane.

The proton bond is a paradigmatic quantum mol. interaction and a major driving force of supramol. chem. The ring cavities of crown ethers provide an intriguing environment, promoting competitive proton sharing with multiple coordination anchors. This study shows that protons confined in crown ether cavities form dynamic bonds that migrate to varying pairs of coordinating atoms when allowed by the flexibility of the macrocycle backbone. Prototypic native crown ethers (12-crown-4, 15-crown-5 and 18-crown-6) and aza-crown ethers (cyclen, 1-aza-18-crown-6 and hexacyclen) are investigated. For each system, IR action spectroscopy experiments and ab initio Mol. Dynamics computations are employed to elucidate the structural effects associated with proton diffusion and its entanglement with the conformational and vibrational dynamics of the protonated host.

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Benzoxazole – Wikipedia,
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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 33941-15-0, is researched, Molecular C12H25NO5, about The dimer-monomer equilibrium of SARS-CoV-2 main protease is affected by small molecule inhibitors, the main research direction is equilibrium SARS CoV2 protease small mol inhibitor.Recommanded Product: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane.

Abstract: The maturation of coronavirus SARS-CoV-2, which is the etiol. agent at the origin of the COVID-19 pandemic, requires a main protease Mpro to cleave the virus-encoded polyproteins. Despite a wealth of exptl. information already available, there is wide disagreement about the Mpro monomer-dimer equilibrium dissociation constant Since the functional unit of Mpro is a homodimer, the detailed knowledge of the thermodn. of this equilibrium is a key piece of information for possible therapeutic intervention, with small mols. interfering with dimerization being potential broad-spectrum antiviral drug leads. In the present study, we exploit Small Angle X-ray Scattering (SAXS) to investigate the structural features of SARS-CoV-2 Mpro in solution as a function of protein concentration and temperature A detailed thermodn. picture of the monomer-dimer equilibrium is derived, together with the temperature-dependent value of the dissociation constant SAXS is also used to study how the Mpro dissociation process is affected by small inhibitors selected by virtual screening. We find that these inhibitors affect dimerization and enzymic activity to a different extent and sometimes in an opposite way, likely due to the different mol. mechanisms underlying the two processes. The Mpro residues that emerge as key to optimize both dissociation and enzymic activity inhibition are discussed.

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Application In Synthesis of Sodium Gluconate. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: Sodium Gluconate, is researched, Molecular C6H11NaO7, CAS is 527-07-1, about A novel polysaccharides-based bioflocculant produced by Bacillus subtilis ZHX3 and its application in the treatment of multiple pollutants.

A high bioflocculant-producing bacterial strain was identified and named Bacillus subtilis ZHX3. Single-factor experiments suggested that 10 g/L starch and 5 g/L yeast extract were optimal for strain ZHX3 to produce bioflocculant MBF-ZHX3. The maximum flocculating rate reached 95.5%, and 3.14 g/L product was extracted after 3 days of cultivation. MBF-ZHX3 was mainly composed of polysaccharides (77.2%) and protein (14.8%). The polysaccharides contained 28.9% uronic acid and 3.7% amino sugar. Rhamnose, arabinose, galactose, glucose, mannose, and galacturonic acid in a molar ratio of 0.35:1.83:3.09:12.66:0.46:3.81 were detected. MBF-ZHX3 had a mol. weight of 10,028 Da and contained abundant groups (-OH, C=O, >P=O, C-O-C) contributing to flocculation. Adsorption and bridging was considered as the main flocculation mechanism. MBF-ZHX3 was more effective in decolorizing dyes, removing heavy metals and flotation reagents compared to polyacrylamide. The results implied that MBF-ZHX3 has the potential to substitute polyacrylamide in wastewater treatment because of its excellent biol. and environmental benefits.

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Benzoxazole – Wikipedia,
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Application In Synthesis of 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, is researched, Molecular C12H25NO5, CAS is 33941-15-0, about Crown Ether-Derived Chiral BINOL: Enantioselective Michael Addition of Alkenyl Boronic Acids to α,β-Unsaturated Ketones. Author is Tao, Jia-Ju; Tang, Jia-Dong; Hong, Tao; Ye, Jia-Wen; Chen, Jia-Yu; Xie, Chunsong; Zhang, Zibin; Li, Shijun.

A new class of aza-crown ether-derived chiral BINOL catalysts were designed, synthesized, and applied in the asym. Michael addition of alkenylboronic acids to α,β-unsaturated ketones. It was found that introducing aza-crown ethers to the BINOL catalyst could achieve apparently higher enantioselectivity than a similar BINOL catalyst without aza-crown ethers did, although the host-guest complexation of alkali ions by the aza-crown ethers could not further improve the catalysis effectiveness. Under mediation of the aza-crown ether-derived chiral BINOL and in the presence of a magnesium salt, an array of chiral γ,δ-unsaturated ketones were furnished in good enantioselectivities (81-95% ee’s).

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem