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81.
Metabolic profiles of dioscin in rats revealed by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry 下载免费PDF全文
He Zhu Jin‐Di Xu Qian Mao Hong Shen Ming Kong Jian‐Ping Chen Song‐Lin Li 《Biomedical chromatography : BMC》2015,29(9):1415-1421
Dioscin (DIS), one of the most abundant bioactive steroidal saponins in Dioscorea sp., is used as a complementary medicine to treat coronary disease and angina pectoris in China. Although the pharmacological activities and pharmacokinetics of DIS have been well demonstrated, information regarding the final metabolic fates is very limited. This study investigated the in vivo metabolic profiles of DIS after oral administration by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry method. The structures of the metabolites were identified and tentatively characterized by means of comparing the molecular mass, retention time and fragmentation pattern of the analytes with those of the parent compound. A total of eight metabolites, including seven phase I and one phase II metabolites, were detected and tentatively identified for the first time. Oxidation, deglycosylation and glucuronidation were found to be the major metabolic processes of the compound in rats. In addition, a possible metabolic pathway on the biotransformation of DIS in vivo was proposed. This study provides valuable and new information on the metabolism of DIS, which will be helpful for further understanding its mechanism of action. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
82.
Jongeun Kang Eunha Hwang Hyunseung Lee Mi Young Cho Sanu Karan Hak Nam Kim Jong Seung Kim Jonathan L. Sessler Sankarprasad Bhuniya Kwan Soo Hong 《Molecules (Basel, Switzerland)》2021,26(7)
We have synthesized new magnetic resonance imaging (MRI) T1 contrast agents (CA1 and CA2) that permit the activatable recognition of the cellular vicinal thiol motifs of the protein thioredoxin. The contrast agents showed MR relaxivities typical of gadolinium complexes with a single water molecule coordinated to a Gd3+ center (i.e., ~4.54 mM−1s−1) for both CA1 and CA2 at 60 MHz. The contrast agent CA1 showed a ~140% relaxivity enhancement in the presence of thioredoxin, a finding attributed to a reduction in the flexibility of the molecule after binding to thioredoxin. Support for this rationale, as opposed to one based on preferential binding, came from 1H-15N-HSQC NMR spectral studies; these revealed that the binding affinities toward thioredoxin were almost the same for both CA1 and CA2. In the case of CA1, T1-weighted phantom images of cancer cells (MCF-7, A549) could be generated based on the expression of thioredoxin. We further confirmed thioredoxin expression-dependent changes in the T1-weighted contrast via knockdown of the expression of the thioredoxin using siRNA-transfected MCF-7 cells. The nontoxic nature of CA1, coupled with its relaxivity features, leads us to suggest that it constitutes a first-in-class MRI T1 contrast agent that allows for the facile and noninvasive monitoring of vicinal thiol protein motif expression in live cells. 相似文献
83.
Organic electrode materials (OEMs) are being investigated as promising candidates for aqueous zinc-ion batteries (AZIBs) owing to their environmental friendliness, cost-effectiveness, and structural diversity, and tunability. Understanding the correlation between structural regulation of OEMs and their electrochemical property in AZIBs is vital to rational design of OEMs. Herein, we first discuss the fundamentals of the energy storage mechanism of OEMs. Then, strategies to improve the electrochemical performance, including the specific capacity, voltage, rate capability, and cycling stability, are elaborated from the perspective of molecular engineering. Finally, we share our views on the remaining challenges and prospects of OEMs in AZIBs. 相似文献
84.
Many efforts are currently devoted to improving the stability and crystallinity of imine-based two-dimensional (2D) covalent organic frameworks (COFs) given their wide range of potential applications. The variation in the relative orientations of the imine bonds has been found to be a critical factor that impacts the stacking of the 2D COF layers, leads to the formation of isomer structures, and influences the crystallinity of the final product. Most investigations to date have focused only on the structural properties, while the role of the imine orientations on the electronic properties has not been studied systematically. Here, we explore this effect by examining how the electronic band structures, electronic couplings, and effective masses evolve when considering four isomeric structures of an imine-linked tetraphenyl-pyrene naphthalene-diimide COF. Our results provide an understanding of the impact of the imine orientations and how they need to be controlled to realize COF inter-layer stackings that can lead to efficient cross-plane electron transport. They can be used to guide the design and synthesis of imine-based COFs for applications where charge transport needs to be optimized. 相似文献
85.
Six new carbonate-bridged Zn2Ln2 cluster complexes derived from salen-type Schiff base ligands [H2La = N, N′-bis(3-methoxysalicylidene)-1,3-diaminopropane and H2Lb = N, N′-bis(3-methoxysalicylidene)- 1,2-diaminoethane] have been synthesized. The bis-imine chain in Schiff base ligands have an obvious influence on the cluster complexes' structures, magnetic and luminescence properties. The carbonate bridging ligand exactly comes from autoimmobilization of carbon dioxide, which may mediate ferromagnetic coupling between Ln3+ ions, favoring magnetocaloric effects and single molecule magnet (SMM) properties. Complexes Zn2Dy2(μ3-CO3)2(La)2(NO3)2(MeOH)2 ( 1 ) and [Zn2Dy2(μ3-CO3)2(Lb)2(NO3)2]·2MeOH ( 2) show field-induced SMM properties; complexes Zn2Tb2(μ3-CO3)2(La)2(NO3)2(MeOH)2 ( 3 ) and [Zn2Tb2(μ3-CO3)2(Lb)2(NO3)2]·2MeOH ( 4 ) display both luminescence and field-induced SMM behaviors; while complexes [Zn2Gd2(μ3-CO3)2(La)2(NO3)2]·2MeOH ( 5 ) and [Zn2Gd2(μ3-CO3)2(Lb)2(NO3)2]·2MeOH ( 6 ) exhibit medium magnetic entropy changes, which are candidates for cryogenic molecular magnetic refrigerants. 相似文献
86.
Detailed gas-phase chemical kinetic models are widely used in combustion research, and many new mechanisms for different fuels and reacting conditions are developed each year. Recent works have highlighted the need for error checking when preparing such models, but a useful community tool to perform such analysis is missing. In this work, we present a simple online tool to screen chemical kinetic mechanisms for bimolecular reactions exceeding collision limits. The tool is implemented on a user-friendly website, cloudflame.kaust.edu.sa, and checks three different classes of bimolecular reactions; (ie, pressure independent, pressure-dependent falloff, and pressure-dependent PLOG). In addition, two other online modules are provided to check thermodynamic properties and transport parameters to help kinetic model developers determine the sources of errors for reactions that are not collision limit compliant. Furthermore, issues related to unphysically fast timescales can remain an issue even if all bimolecular reactions are within collision limits. Therefore, we also present a procedure to screen ultrafast reaction timescales using computational singular perturbation. For demonstration purposes only, three versions of the rigorously developed AramcoMech are screened for collision limit compliance and ultrafast timescales, and recommendations are made for improving the models. Larger models for biodiesel surrogates, tetrahydropyran, and gasoline surrogates are also analyzed for exemplary purposes. Numerical simulations with updated kinetic parameters are presented to show improvements in wall-clock time when resolving ultrafast timescales. 相似文献
87.
Yi Liu Jiaqi Wang Shiguo Han Dr. Xitao Liu Maofan Li Zhiyun Xu Wuqian Guo Prof. Maochun Hong Prof. Junhua Luo Prof. Zhihua Sun 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(16):3494-3498
3D perovskite CsPbBr3 has recently taken a blooming position for optoelectronic applications. However, due to the lack of natural anisotropy of optical attributes, it is a great challenge to fulfil polarization-sensitive photodetection. Here, for the first time, we exploited dimensionality reduction of CsPbBr3 to tailor a 2D-multilayered hybrid perovskite, (TRA)2CsPb2Br7 ( 1 , in which TRA is (carboxy)cyclohexylmethylammonium), serving as a potential polarized-light detecting candidate. Its unique quantum-confined 2D structure results in intrinsic anisotropy of electrical conductivity, optical absorbance, and polarization-dependent responses. Particularly, it exhibits remarkable dichroism with the photocurrent ratio (Ipc/Ipa) of ≈2.1, being much higher than that of the isotropic CsPbBr3 crystal and reported CH3NH3PbI3 nanowire (≈1.3), which reveals its great potentials for polarization-sensitive photodetection. Further, crystal-based detectors of 1 show fascinating responses to the polarized light, including high detectivity (>1010 Jones), fast responding time (≈300 μs), and sizeable on/off current ratios (>104). To our best knowledge, this is the first study on 2D Cs-based hybrid perovskite exhibiting strong polarization-sensitivity. The work highlights an effective pathway to explore new polarization sensitive candidates for hybrid perovskites and promotes their future electronic applications. 相似文献
88.
Dr. Hong Shang Yu Gu Prof. Yingbin Wang Dr. Zicheng Zuo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(24):5434-5440
Nonuniform nucleation is one of the major reasons for the dendric growth of metallic lithium, which leads to intractable problems in the efficiency, reversibility, and safety in Li-based batteries. To improve the deposition of metallic Li on Cu substrates, herein, a freestanding current collector (NGDY@CuNW) is formed by coating pyridinic nitrogen-doped graphdiyne (NGDY) nanofilms on 3D Cu nanowires (CuNWs). Theoretical predictions reveal that the introduction of nitrogen atoms in the 2D GDY can enhance the binding energy between the Li atom and GDY, therefore improving the lithiophilicity on the surface for uniform lithium nucleation and deposition. Accordingly, the deposited metallic Li on the NGDY@CuNW electrode exhibits a dendrite-free morphology, resulting in significant improvements in terms of the reversibility with a high coulombic efficiency (CE) and a long lifespan at high current density. Our research provides an efficient method to control the surface property of Cu, which also will be instructive for other metal batteries. 相似文献
89.
Dr. Gao Li Wu-Yue Yang Wen-Hao Li Yun-Yi Luo Yeh-Jun Lim Prof. Dr. Yang Li Dr. Ashim Paul Prof. Dr. Daniel Segal Liu Hong Prof. Dr. Yan-Mei Li 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(16):3499-3503
It has been reported that many molecules could inhibit the aggregation of Aβ (amyloid-β) through suppressing either primary nucleation, secondary nucleation, or elongation processes. In order to suppress multiple pathways of Aβ aggregation, we screened 23 small molecules and found two types of inhibitors with different inhibiting mechanisms based on chemical kinetics analysis. Trp-glucose conjugates ( AS2 ) could bind with fibril ends while natural products ( D3 and D4 ) could associate with monomers. A cocktail of these two kinds of molecules achieved co-inhibition of various fibrillar species and avoid unwanted interference. 相似文献
90.
Xiaojuan Liu Qingqing Wen Prof. Dr. Li Xiang Dr. Xuebing Leng Prof. Dr. Yaofeng Chen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(24):5494-5499
The synthesis and catalytic applications of trivalent rare-earth metal alkyl complexes have been well developed, but the chemistry of divalent rare-earth metal alkyl complexes lagged much behind. Herein, we report the synthesis, structure, and catalytic applications of a samarium(II) monoalkyl complex supported by a β-diketiminato-based tetradentate ligand, [LSmCH(SiMe3)2] (L=[MeC(NDipp)CHC(Me)NCH2CH2N(Me)CH2CH2NMe2]−, Dipp=2,6-(iPr)2C6H3). This complex is synthesized by the salt metathesis reaction of samarium iodide [LSm(μ-I)]2 and KCH(SiMe3)2 in 63 % yield. Its structure is characterized by single-crystal X-ray diffraction, showing a distorted square-pyramid coordination geometry. This samarium(II) monoalkyl complex exhibits high catalytic activity in the hydrosilylation of aryl and methyl-substituted unsymmetrical internal alkynes with secondary hydrosilanes, selectively providing the α-(E) products in high yields. 相似文献