CRYSTAL GROWTH & DESIGN
·
2026
·
IF 3.6
He-Mei Yin,Xin-Yu Sun,Ping Xu,Shu-Long Liu,Fu-Min Xue
Baloxavir marboxil (BXM), a novel oral antiviral drug, is classified as BCS II and suffers from bioavailability limitations due to its low solubility. To overcome these limitations, a cocrystallization strategy was adopted in the present study. It is noteworthy that no cocrystal form of BXM has been reported in the CSD database. This study reports the synthesis and comprehensive characterization of a novel baloxavir marboxil and probenecid (PRO) pharmaceutical cocrystal (BXM-PRO), which was designed to improve the dissolution performance of BXM for enhanced therapeutic efficacy. The single crystal was successfully prepared via slow evaporation from a mixed solvent of methanol and water and thoroughly characterized using single-crystal X-ray diffraction, powder X-ray diffraction, thermogravimetric and differential scanning calorimetry, Fourier transform infrared spectra, scanning electron microscopy, Hirshfeld surface analysis, and density functional theory calculations. Structural analysis confirmed the formation of a cocrystal stabilized by strong O–H···O hydrogen bonds. Subsequent evaluations included the powder dissolution rate, accelerated stability, and antiviral activity. The dissolution profiles revealed that the BXM-PRO cocrystal exhibits a significantly enhanced dissolution rate and higher solubility in both water and pH 6.8 buffer compared to pure BXM. Theoretical analysis suggests that strong hydrogen bonding between hydrogens of the O–H···O complexes plays a critical role in facilitating the improved dissolution performance of the cocrystal. Additionally, cytotoxicity assessment via CCK-8 assay indicated that the cocrystal possesses lower cytotoxicity against MDCK cells than BXM. The antiviral activity of the BXM-PRO cocrystals was compared with that of BXM alone as well as with that of physical mixtures of BXM with PRO in adequate stoichiometric ratios. Antiviral assays demonstrated that the cocrystal exhibits superior efficacy against the Yamagata strain, reduced effectiveness against H1N1 PR8 and H3N2 strains, and comparable activity against the Victoria strain relative to BXM alone. These findings indicate that the BXM-PRO cocrystal represents a promising strategy to enhance the solubility and bioavailability of BXM, with potential clinical benefits for the treatment of influenza virus infections.
✓ 已验证
产品关联
DOI
高影响因子
Micromachines
·
2017
·Vol. 8
·期 9
·
IF 1.833
Pengfei Lu,Liangyu Wu,Xiangdong Liu
A simple and robust co-flowing microfluidic device for double emulsion preparation is designed and assembled to visually study the double emulsion formation by the use of a microscope and high-speed camera. Using a visualization system, the transient processes of double emulsion formation in co-flowing stream are observed and recorded for a variety of flow rates. The effects of flow rates of each fluid on flow modes, drop sizes, and polydispersities are examined and analyzed. The results indicate that the detaching of the inner drops accelerates the detaching of the outer drops and speeds up the drop formation process of double emulsions. The manipulation of flow rates is capable to actively control the sizes of the inner and outer drops as well as the number of inner drops encapsulated. Without surface modification, the microfluidic device produces a variety of emulsions, including the single-core and multi-core O/W/O double emulsions as well as binary emulsions of single and double emulsions. The proposed co-flowing microfluidic device is highly desirable in producing double emulsions in an easy and cheap way.
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Entong Ye,Zheng Chen,Yongyong Shi,Dan Zhang,Wenfei Li,Hong Qin,Ziming Luo,Quansheng Wu,Qian Lin,Hongyan Pan,Keliang Wang
Although a high-activity yield of hydrogen peroxide (H 2 O 2 ) can be achieved by direct synthesis from hydrogen and oxygen, developing an extreme catalyst with high activity and stability is still very challenging, which limits its industrial application. Here, we reported a catalyst Pd/SPE with polyelectrolyte membranes SPE as an electronic acceptor to anchor Pd, which achieves H 2 O 2 selectivity of 90.1% and productivity of 5764.4 mmol∙g Pd -1 ∙h −1 . The results of TEM, XRD and ICP-MS, XPS, CO-DRIFT, O 2 -TPD, synchrotron radiation and density functional theory (DFT) simulations reveal that the electrons of Pd are transferred into polyelectrolyte membranes and Pd clusters are strongly chemisorbed on SPE, which is beneficial for O 2 adsorption and inhibits the dissociation of O-O bond, leading to significantly enhanced H 2 O 2 productivity and selectivity.
✓ 已验证
产品关联
DOI
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2020
·Vol. 22
·期 20
·11508-11518
·
IF 3.43
Jing Chen,Hanling Yang,Hongquan Fu,Hongyan He,Qiang Zeng,Xuehui Li
Electrochemical oxidation is a promising and effective method for lignin depolymerization owing to its selective oxidation capacity and environmental friendliness. Herein, the electrooxidation of non-phenolic alkyl aryl ether monomers and β-O-4 dimers was experimentally (by cyclic voltammetry, in situ spectroelectrochemistry, and gas chromatography-mass spectroscopy) and theoretically (by DFT calculations) explored in detail. Compared to the reported literature (T. Shiraishi, T. Takano, H. Kamitakahara and F. Nakatsubo, Holzforschung, 2012, 66(3), 303–309), 1-(4-ethoxyphenyl)ethanol showed a distinguishable oxidation pathway, where the resulting carbonyl product surprisingly underwent a bond cleavage on alkyl–aryl ether to ultimately produce a quinoid like compound. In contrast, β-O-4 dimers, like 2-phenoxy-1-phenethanol and 2-phenoxyacetophenone also demonstrated electrochemical oxidation induced by Cβ–O and Cα–Cβ bond cleavages. For the oxidation products, the presence of the Cα-hydroxyl group in dimers was the key to selectively generate aldehyde-containing species under mild electrochemical conditions, otherwise it produces alcohol-containing products following a different mechanism compared to the CαO containing dimers.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
APPLIED SURFACE SCIENCE
·
2019
·
IF 5.155
Hongjie Zhu,Lingxuan Gong,Zhengkui Li
There is a great need to design a new method for fabricating efficient and cheap Z-scheme photocatalysts. For this reason, we synthesized a novel Z-scheme photocatalyst α-Fe 2 O 3 /P3HT with O-Ti-O charge transfer mediator. The effective compounding of each part was confirmed by different characterization methods. The charge transfer mechanism was confirmed to obey the Z-scheme mechanism by measuring the valence band value and by ESR experiments. Moreover, the Z-scheme mechanism in this system was further discussed based on the observed changes in the chemical structure and the theoretical calculation. Based on the characterization of the optical properties, this novel catalyst exhibited better charge transfer and separation abilities under visible light conditions due to its unique architecture. Additionally, this novel Z-scheme photocatalyst showed enhancement in the bisphenol A degradation effect, the degradation reaction was pseudo-first-order kinetics, a removal rate of up to 90% was maintained after four cycles. The BPA degradation pathway was also discussed in this study. This study provides a new approach for the construction of Z-scheme photocatalysts.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2012
·
IF 2.905
Xiaohua Zhu,Qifang Jiao,Chuyi Zhang,Xiaoxi Zuo,Xin Xiao,Yong Liang,Junmin Nan
The graphene and 5-[ o -(4-Bromine amyloxy) phenyl]-10,15,20-triphenylporphrin ( o -BrPETPP) composite (GR- o -BrPETPP) film is prepared on the glassy carbon electrode (GCE) with graphene oxide (GO) modifier through a consecutive cyclic voltammetry process, and then its electrocatalytic oxidation to indirubin is investigated. The as-prepared GR- o -BrPETPP film exhibits wrinkling paper-like structure and lower electron transfer resistance. In comparison with the o -BrPETPP/GCE and GCE, the GR- o -BrPETPP film electrode prepared for five cycles indicates an excellent electrocatalytic oxidation activity toward indirubin with about 2.2 and 13.3 times higher current response, respectively. In addition, in the 0.1 mol L −1 acetate buffer solution (pH = 4.6), the film electrode displays a linear relationship between the oxidation current and the indirubin concentration in the range from 5.0 × 10 −7 mol L −1 to 2.4 × 10 −5 mol L −1 , and presents a detection limit of 1.0 × 10 −7 mol L −1 ( S / N = 3) by differential pulse voltammetry (DPV) with 220 s accumulation. Especially, this film electrode also shows a comparative sensitivity with high-performance liquid chromatography (HPLC) for the determination of the indirubin extractive of herbal medicines, showing its practical prospect in the electrochemical determination of indirubin.
✓ 已验证
产品关联
DOI
高影响因子
INORGANIC CHEMISTRY
·
2025
·
IF 4.7
Chao Yang,Hao Chen,Yuankai Li,Zhelin Su,Yeshuang Wang,Xufei Liu,Huiling Fan
The low sulfur selectivity of Fe-based H2S-selective catalytic oxidation catalysts is still a problem, especially at a high O2 content. This is alleviated here through anchoring FeOx nanoclusters on UiO-66 via the formation of Fe–O–Zr bonds. The introduced FeOx species exist in the form of FeIII and FeII. Therein the FeIII–O species are the predominant active sites for H2S-oxidation. The formed Fe–O–Zr bonds strengthen the redox cycle of FeIII/FeII through promoting electron transfer from Fe to Zr. The FeII–O species can activate molecular oxygen to oxidize H2S into elemental S, which accelerates the formation rate of atomic S, hindering its further oxidation into SO2. The combination of these factors empowers the catalysts, enabling 100% H2S conversion and 98.2% sulfur yield. The catalyst also has satisfactory stability with the sulfur selectivity only decreasing from 98.2% to 91.3% after the reaction going on 50 h. The decreased sulfur selectivity might be caused by the deterioration of pores and the deposition of elemental S on the surface. The former hinders the diffusion of sulfur oligomers timely from pores to the gas phase, while the latter is suspected to capture electrons to promote its further reaction with molecular oxygen.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ACS Catalysis
·
2024
·
IF 11.3
Baoxin Ge,Pengyang Jiang,Biyi Chen,Caijin Huang
The orbital hybridization between metal and oxygen of perovskite catalysts can lower the overpotential and enhance the oxygen evolution reaction (OER) activity. This study combines density functional theory with experiments to clarify how Sr/Fe codoping modulates orbital hybridization and enhances OER catalytic activity of LaCoO3. The as-prepared La0.50Sr0.50Co0.75Fe0.25O3 shows remarkable performance with a low overpotential of 310 mV at 10 mA cm–2 current density and a 107.03 mV dec–1 Tafel slope, outperforming most state-of-the-art perovskite-based OER electrocatalysts. The experimental results confirm that Sr/Fe codoping enhances the expansion of Co–O–Co bond angles and strengthens the covalency of the Co–O bond in LaCoO3, leading to enhanced electrocatalytic activity. Moreover, increasing Sr doping reduces the distance between the Co 3d/O 2p center and the Fermi level, decreasing the energy difference between them and enhancing the degree of orbital hybridization between Co 3d and O 2p. As the degree of Co 3d/O 2p orbital hybridization increases, a higher charge transfer was found between the active center and intermediate product, OOH, reducing the energy barrier of the rate-determining step while lowering the overpotential. This study provides thorough insight into the rational design of OER catalysts based on orbital hybridization.
✓ 已验证
产品关联
DOI
高影响因子
LETTERS IN ORGANIC CHEMISTRY
·
2024
·Vol. 21
·期 9
·784-789
·
IF 0.7
Mao Xiaoxia,Zhang Yuying,Wang Keyang,Zhao Guiqin,Zhou Dejun,Cui Zhengguo
In this study, an efficient method for the synthesis of one type of aromatic ether was introduced, and its antitumor activity was investigated. Specifically, (diacetoxyiodo)arene was prepared from 2-methyliodobenzene and used to oxidize the 4-nitrophenol to give the aromatic ether.
Our study further found that aromatic ether has a strong apoptotic effect on U937 monocytes, suggesting that it might be developed as a new drug for the treatment of acute myeloid leukemia.
研究领域:
药物化学
·
肿瘤学
✓ 已验证
DOI
高影响因子
MOLECULAR CELL
·
2023
·
IF 16
Chenchen Xu,Xiaoqing Pan,Dong Wang,Yuanyuan Guan,Wenyu Yang,Xing Chen,Ying Liu
The mechanistic target of rapamycin complex 1 (mTORC1) regulates metabolism and cell growth in response to nutrient levels. Dysregulation of mTORC1 results in a broad spectrum of diseases. Glucose is the primary energy supply of cells, and therefore, glucose levels must be accurately conveyed to mTORC1 through highly responsive signaling mechanisms to control mTORC1 activity. Here, we report that glucose-induced mTORC1 activation is regulated by O-GlcNAcylation of Raptor, a core component of mTORC1, in HEK293T cells. Mechanistically, O-GlcNAcylation of Raptor at threonine 700 facilitates the interactions between Raptor and Rag GTPases and promotes the translocation of mTOR to the lysosomal surface, consequently activating mTORC1. In addition, we show that AMPK-mediated phosphorylation of Raptor suppresses Raptor O-GlcNAcylation and inhibits Raptor-Rags interactions. Our findings reveal an exquisitely controlled mechanism, which suggests how glucose coordinately regulates cellular anabolism and catabolism.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CERAMICS INTERNATIONAL
·
2021
·
IF 4.527
Bijie Wang,Yujie Song,Xiao Zhang,Ke Chen,Ming Liu,Xiao Hu,Liu He,Qing Huang
SiBCN ceramics have excellent high-temperature stability and anti-oxidation properties, and they are candidates for materials used at extreme conditions. In this paper, amorphous SiBCN(O) ceramics were obtained through pyrolysis of cross-linked polyborosilazanes. The element content could be readily tuned through adjusting the structures of polymer precursors. The cerminization process and microstructure evolution process were systematically investigated. The SiBCN(O) ceramics remain amorphous below 1400 °C. The carbothermal reduction was suppressed because of the presence of boron. The SiBCN(O) ceramics showed 95.7% and 99.2% carbon residual in argon and air at 1600 °C, indicating high-temperature stability and good anti-oxidation properties. These SiBCN(O) precursors/ceramics could be potentially used in composites or protective coatings for harsh environments.
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2020
·Vol. 21
·期 6
·2211
·
IF 4.556
Wei Zhang,Danyang Li,Jianguang Zhang,Lingli Jiang,Zhaofa Li,Jun Sheng Lin
The compound 1,1,1-trichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl) ethane (o,p’-DDT) has been identified as one of the endocrine-disrupting chemicals causing adverse effects on wildlife and even humans through bioaccumulation. Its detection has become increasingly important. We have obtained candidate aptamers binding too,p’-DDT by a systematic evolution of ligands by exponential enrichment (SELEX) protocol. Five out of seventeen candidate sequences were selected for preliminary characterization by SYBR Green I assay. One sequence with highest fluorescence response witho,p’-DDT, designated DDT_13, was chosen for further characterization. Its dissociation constant (Kd) was determined to be 412.3 ± 124.6 nM. DDT_13 exhibited low cross-binding activities on other tested small molecules. The good bioactivities of DDT_13 were demonstrated for the analysis of spiked lake water and tap water samples. This study provides a novelo,p’-DDT-specific probe for its future applications.Keywords:o,p’-DDT;aptamer;SELEX;AuNPs;biosensor;real water sample
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）