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81.
Enantiomeric separation of six antihistamine agents was first systematically investigated on a cellulose-based chiral stationary phase (CSP), that is, cellulose tris-(3,5-dimethyl phenyl carbamate) (Chiralcel OD-RH), under the reversed-phase mode. Orphenadrine, meclizine, terfenadine, dioxopromethazine, and carbinoxamine enantiomers were completely separated under the optimized mobile phase conditions with resolutions of 5.02, 1.93, 1.68, 1.67, and 1.54, respectively. Mequitazine was partially separated with a resolution of 0.77. The influences of type and concentration of buffer salt, the pH of buffer solution, and the type and ratio of organic modifier on the chiral separation were evaluated and optimized. For a better insight into the enantiorecognition mechanisms, molecular docking was carried out via the Autodock software. The lowest binding energy and the optimal conformations of the analytes/CSP complexes were supplied, and the mechanisms of chiral recognition were determined. According to the results, the key interactions for the chiral recognition of these six analytes on CDMPC were π–π interactions, hydrophobic interactions, hydrogen bond interactions, and some special interactions. 相似文献
82.
Abstract The chemical modified β-cyclodextrin(CD), which bears a fluorophore group — N,N-dimethylamino-chalcone (DMAC), was synthesized. The self-inclusion behavior of this compound in aqueous solution and in alcohol/water mixed solvents was investigated in detail, and compared with the inclusion system of non-modified CD with free DMAC molecule. The results showed that a deep self-inclusion complex was formed for this compound in aqueous solution and had the ability to recognize different organic molecules by two fully different modes: “in-out” and “co-inclusion” mechanisms. The inclusion behavior of these systems in various ratio of alcohol/water mixture as solvents was investigated. The results indicated that the self-inclusion complex has a higher stability in alcohol/water mixed solvents than that in the case of non-modified CD. The chalcone group appended at β-CD enabled the host as a sensitive probe to study the inclusion behavior of CD. 相似文献
83.
Benjamin M. Long 《Supramolecular chemistry》2013,25(1-2):136-140
The use of modified Job plot methodology provides a quick and easy means for evaluating host–guest stoichiometry and requires less material than the original method. In this short paper, the results of a recent anion recognition study using thiourea-functionalised norbornanes and [n]polynorbornanes are presented. A significant difference between the plots constructed using the original and modified method was observed and, as such, caution is advised when the modified Job's method is solely used for the determination of host–guest stoichiometry. 相似文献
84.
Dr. Ning Chen Dr. Yanglin Shen Dr. Ting Xu Dr. Wangqiang Shen Prof. Xing Lu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(65):16212-16218
Surface cracks could improve the optical and photoelectronic properties of crystalline materials as they increase specific surface area, but the controlled self-assembly of fullerene (C60) molecules into micro-/nanostructures with surface cracks is still challenging. Herein, we report the morphology engineering of novel C60 microstructures bearing surface cracks for the first time, selecting phenetole and propan-1-ol (NPA) as good and poor solvents, respectively. Our systematic investigations reveal that phenetole molecules initially participate in the formation of the ends of the C60 microstructures, and then NPA molecules are involved in the gradual growth of the sidewalls of the microstructures. Therefore, the surface cracks of C60 microstructures can be finely regulated by adjusting the addition of NPA and the crystallization time. Interestingly, the cracked C60 microstructures show superior photoluminescence properties relative to the smooth microstructures due to the increased specific surface area. In addition, C60 microstructures with wide cracks show preferential recognition of silica particles over C60 particles owing to electrostatic interactions between the negatively charged C60 microstructures and the positively charged silica microparticles. These C60 crystals with surface cracks have potential applications from optoelectronics to biology. 相似文献
85.
Three new chiral urea-type anion receptors were synthesized from aromatic diamines and 1-amino-1-deoxyglucose. The anion binding properties of these receptors were studied using chiral carboxylates derived from mandelic acid and three α-amino acids. We found that the size of the anion binding pocket played an important role in chiral recognition processes. The best results were obtained for 1,8-diaminoanthracene and α-amino acid anions. 相似文献
86.
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88.
Carbohydrates are used in nature as molecular recognition tools. Understanding their conformational behavior upon aggregation helps in rationalizing the way in which cells and bacteria use sugars to communicate. Here, the simplest α-hydroxy carbonyl compound, glycolaldehyde, was used as a model system. It was shown to form compact polar C2-symmetric dimers with intermolecular O–H⋅⋅⋅O=C bonds, while sacrificing the corresponding intramolecular hydrogen bonds. Supersonic jet infrared (IR) and Raman spectra combined with high-level quantum chemical calculations provide a consistent picture for the preference over more typical hydrogen bond insertion and addition patterns. Experimental evidence for at least one metastable dimer is presented. A rotational spectroscopy investigation of these dimers is encouraged, also in view of astrophysical searches. The binding motif competition of aldehydic sugars might play a role in chirality recognition phenomena of more complex derivatives in the gas phase. 相似文献
89.
Dr. Ruth Matesanz Dr. José Fernando Diaz Dr. Francisco Corzana Andrés G. Santana Dr. Agatha Bastida Dr. Juan Luis Asensio 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(10):2875-2889
The most common mode of bacterial resistance to aminoglycoside antibiotics is the enzyme‐catalysed chemical modification of the drug. Over the last two decades, significant efforts in medicinal chemistry have been focused on the design of non‐ inactivable antibiotics. Unfortunately, this strategy has met with limited success on account of the remarkably wide substrate specificity of aminoglycoside‐modifying enzymes. To understand the mechanisms behind substrate promiscuity, we have performed a comprehensive experimental and theoretical analysis of the molecular‐recognition processes that lead to antibiotic inactivation by Staphylococcus aureus nucleotidyltransferase 4′(ANT(4′)), a clinically relevant protein. According to our results, the ability of this enzyme to inactivate structurally diverse polycationic molecules relies on three specific features of the catalytic region. First, the dominant role of electrostatics in aminoglycoside recognition, in combination with the significant extension of the enzyme anionic regions, confers to the protein/antibiotic complex a highly dynamic character. The motion deduced for the bound antibiotic seem to be essential for the enzyme action and probably provide a mechanism to explore alternative drug inactivation modes. Second, the nucleotide recognition is exclusively mediated by the inorganic fragment. In fact, even inorganic triphosphate can be employed as a substrate. Third, ANT(4′) seems to be equipped with a duplicated basic catalyst that is able to promote drug inactivation through different reactive geometries. This particular combination of features explains the enzyme versatility and renders the design of non‐inactivable derivatives a challenging task. 相似文献