INTERNATIONAL JOURNAL OF PHARMACEUTICS
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2022
·
IF 6.51
Yue-Ming Yu,Fan-Zhi Bu,Su-Su Meng,Cui-Wei Yan,Zhi-Yong Wu,Yan-Tuan Li
In order to highlight the advantages of cocrystallization technique in perfecting in vitro / vivo natures of marine drug cytarabine (ARC), and fill the gap of the research of marine pharmaceutical cocrystals with synergistic antitumor effects, the first dual-drug cocrystal simultaneously containing ARC and antitumor drug 5-fluorouracil (FU), viz. ARC-FU, is successfully designed and assembled. The accurate structure is perfectly resolved by single-crystal X-ray diffraction and other approaches. The analytical outcomes demonstrate that the codrug cocrystal consists of ARC and FU with a molar ratio of 1:1, in which FU molecule plays an important role by participating in the formation of both “pyrimidine-pyrimidine” and “pyrimidine-sugar” cyclic hydrogen-bonding systems with ARC molecules. In the cocrystal, there are twofold hydrogen-bonding helixes of ARC molecules and a whole three-dimensional hydrogen-bonding network which also contains the aromatic stacking interaction between pyrimidine rings of both components. Such structural feature and aggregation model have crucial influences on the improvements of in vitro/vivo properties, which is methodically verified by the combination of theoretical analyses and experimental measurements. The in vitro studies exhibit the suitably reduced solubility and obviously increased permeability for the cocrystal that is in accord with the theoretical prediction. Importantly, the ameliorated in vitro peculiarities realize in vivo pharmacokinetic optimization including the extended residence time and enhanced relative bioavailability. Of greater significance, ARC exerts synergistic antitumor effects in association with FU that brings about potentiation of cell growth inhibition with lower IC 50 . Thus, this research not only provides a novel crystalline form for ARC with forward-looking development value, but also breaks new ground for the development of synergistic antitumor pharmaceutical cocrystals with marine characteristics.
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高影响因子
JOURNAL OF MOLECULAR STRUCTURE
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2022
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IF 3.841
Fan-Zhi Bu,Yue-Ming Yu,Yu-Li Shen,Zhi-Yong Wu,Yan-Tuan Li
The present investigation aims to fully exploit the structural dominance and liver protective efficacy of phenolic acid nutraceutical ferulic acid (FUA) towards decreasing antifungal drug 5-fluorocytosine (FTS) in solubility and dissolution rate through a cocrystallization stratagem, thereby achieving some fire-new understandings for addressing the side effects generated by the fast and inappropriate absorption from FTS. Toward this end, the cocrystalline complex of FTS with FUA, viz . FTS-FUA, as the first cocrystal of FTS with phenolic acid nutrient of hydroxycinnamic acid subgroup is directionally assembled and fully characterized. The crystal structure determined by the single-crystal X-ray diffraction method demonstrates that FUA molecules in the lattice seize the polar sites in situ of FTS founded on the compact hydrogen-bond interaction, therefore leading to the formation of a rigid S-shaped module (RSM) with hydrophobic potentials, which induces a simultaneous down-regulation of the cocrystal in solubility and intrinsic dissolution rate versus raw drug FTS itself. The experimental outcomes are strongly verified by relevant theoretical investigations. The molecular electrostatic potential and the mutual penetration distance authenticate that the RSM's polarity in the cocrystal is lower than that of FTS per se, which complies with the abatement in polarity attributable to the reinforced hydrogen-bonds energy as per topology analysis with atoms in molecules theory, thus giving a remarkable improvement in hydrophobicity for the cocrystal. As a result, the current contribution not only provides a new crystallization form for FTS, but also exemplifies the feasibility of cocrystallization clue from integrated experimental with a systematic theoretical approach to overcome intractable adverse effects of the antifungal agent.
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RSC Advances
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2022
·Vol. 12
·期 50
·32534-32551
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IF 4.036
Huanli Yin,Qi Yan,Yuan Liu,Lan Yang,Yang Liu,Yujie Luo,Tianyu Chen,Ningxi Li,Min Wu
A dual-loaded multi-targeted drug delivery nanosystem was constructed to simultaneously load paclitaxel (PTX) and 5-fluorouracil (5-FU) for targeted delivery and sustained release at tumor sites. Hollow mesoporous silica nanoparticles (HMSNs) were prepared by the inverse microemulsion method, then modified with folic acid and pH- and temperature-responsive materials, co-loaded with PTX and 5-FU, and finally encapsulated into lipid membranes. The obtained nanosystem was selectively internalized by human breast cancer MCF-7 cells that overexpress folate receptors through an energy-dependent process, and it released both drugs in vitro in a simulated tumor microenvironment. Moreover, the inhibitory effect of the dual-loaded nanoparticles was significantly better than that of the free drugs, suggesting that the composite nanosystem has the potential to selectively target tumor sites and perform the synergistic effect of PTX and 5-FU, while reducing their toxic effects on normal tissues.
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高影响因子
RENEWABLE ENERGY
·
2022
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IF 8.634
Shanshan Tu,Xiaojie Yu,Qinghua Ji,Qiannan Ma,Cunshan Zhou,Li Chen,Clinton Emeka Okonkwo
With the deepening of the research on the conversion of cellulose biomass to furfural, there is no green and efficient method to separate sugars and 5-HMF. This study utilized a thermoreversible aqueous two-phase system (ATPS) coupled with tetrabutylammonium bromide ([N 4444 ]Br)- based deep eutectic solvents (DES) and inorganic salts for separating glucose and 5-HMF. The thermal characteristics of DESs were analyzed by thermogravimetry (TGA) and differential scanning calorimetry (DSC). The thermoreversible phase behavior of ATPS was determined by phase diagram. Furthermore, the process factors were optimized, such as the type and concentration of DES and phosphate, the temperature, and the time of ATPS were investigated, to maximize the separation of glucose and 5-HMF. Finally, the ATPS was a successful integrated catalytic reaction of glucose involving CrCl 3 and 5-HMF separation. The results showed that the ATPS consist of 30 wt% [N 4444 ]Br-EG and 25 wt% K 2 HPO 4 had the most efficient extraction rate, 5-HMF reached 96.0 ± 0.6%, and mainly existed in the DES phase, while glucose was enriched in salt phase, and the extraction rate reached 99.9 ± 0.03%. And the 5-HMF yield reached 25.6 ± 1.1% in the production separation integrated platform. This thermoreversible ATPS may provide a guide for the effective extraction of furfural from biomass-derived glucose.
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高影响因子
Foods
·
2022
·Vol. 11
·期 5
·657
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IF 5.561
Huiyu Hu,Yuting Wang,Yousheng Huang,Yanpeng Yu,Mingyue Shen,Chang Li,Shaoping Nie,Mingyong Xie
Maillard reaction during food processing contributes to the formation of some unpleasant heat-induced toxicants including advanced glycation end products (AGEs) and 5-hydroxymethylfurfural (HMF). The current study prepared butter cookies fortified with two dietary natural antioxidants (catechins and curcumin) and two dietary hydrocolloids (pectin and chitosan), and investigated their effects on formation of free Nε-(carboxymethyl)lysine (CML)/Nε-(carboxyethyl)lysine (CEL), protein-bound CML/CEL and HMF and on the sensory qualities of butter cookies. Meanwhile, three typical α-dicarbonyl compounds were also determined to identify possible correlations between α-dicarbonyl intermediates and formation of these harmful heat-induced products in butter cookies. Experimental data showed that catechin exhibited the strongest inhibitory effects on formation of AGEs and HMF, but its addition would impair the color and taste of cookies. On the other hand, chitosan was not so effective in inhibiting AGEs and HMF as compared to catechin, but its addition could increase the sensory qualities of butter cookies.Keywords:advanced glycation end products;5-hydroxymethylfurfural;butter cookies;natural antioxidants;hydrocolloids
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高影响因子
Molecular Catalysis
·
2022
·
IF 5.089
Yiqiang Liu,Yimei Qiu,Wenlong Jia,Zhiliang Shen,Zheng Li,Jiaren Zhang,Yong Sun,Xing Tang,Xianhai Zeng,Lu Lin
In this work, a porous Zirconium based coordination polymer (Zr-ATMP) was facilely synthesized at room temperature with amino tris(methylene phosphonic acid) (ATMP) as ligand, and the surface acidic sites could be adjusted in different solvents. Specifically, the coordination polymer with equivalent content of Bronsted and Lewis acid sites was synthesized in aqueous system, showing high-efficiency catalytic activity for fructose dehydration to 5-hydroxymethylfurfural (HMF). In comparison, the coordination polymer containing an abundance of Lewis acid sites was synthesized in DMF solvent, which efficiently catalyzed the transfer hydrogenation of HMF. Compared to the catalysts preparation in organic solvents, the coordinatively unsaturated Zr 4+ could be hydrated in water during catalyst preparation, resulting in the generation of additional Bronsted acid sites at the cost of Lewis acid sites. This contribution proposed a facile approach to prepare Zr-based coordination polymer with tunable acid properties for biomass valorization.
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高影响因子
FOOD RESEARCH INTERNATIONAL
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2022
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IF 7.425
Yingjie Ma,Hairong Huang,Yan Zhang,Feng Li,Bei Gan,Qiang Yu,Jianhua Xie,Yi Chen
This study investigated the impact of soluble dietary fiber (SDF) from untreated (U-SDF), fermented (F-SDF) and high temperature cooked (H-SDF) from tea residues on formation of acrylamide (AA) and 5-hydroxymethylfurfural (5-HMF) in biscuits. Both 3% F-SDF and 2% H-SDF can simultaneously inhibit AA and 5-HMF and SDFs increased the types of volatile compounds in biscuits. After the determination of the bound polyphenol compositions in SDFs by LC-QTOF-MS/MS, six polyphenols with different structural characteristics were selected to explore their contributions on the inhibitory effect of SDFs and structure-inhibitory capacity relationships in the “glucose-asparagine-linoleic acid” model system. It showed that the inhibitory activities of those polyphenols were greatly affected by the number of hydroxyl groups and methoxy groups on the benzene ring. Almost all polyphenols were also found to scavenge hydroxyl radicals generated in reactions. Thus, this study suggests that the bound polyphenols of SDFs play a key role in the inhibition of AA and 5-HMF.
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CORROSION SCIENCE
·
2022
·
IF 7.72
Youmin Qiu,Jie Li,Yifeng Bi,Xiaopeng Lu,Xiaohui Tu,Junjie Yang
A novel mixture, comprising sodium fluoride (NaF) and 3-amino-1,2,4-triazole-5-thiol (ATT), was reported as an effective hybrid corrosion inhibitor for magnesium alloy in pH neutral NaCl solution. The highest efficiency (95.8%) was achieved when 50 mM NaF and 5 mM ATT were mixed. Both experimental and theoretical approaches were employed for addressing the synergism. The synergism was proposed as the formation of a double-layered inhibitors film, in which the lower layer is a uniform fluoride-enriched precipitate layer and the upper one is a hydrophobic adsorption layer. These two layers were mutually strengthened to produce an excellent inhibition effect as a whole.
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APPLIED CATALYSIS B-ENVIRONMENTAL
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2022
·
IF 24.319
Yongfang Zhou,Yi Shen,Hongying Li
Electrocatalytic oxidation of biomass such as 5-hydroxymethylfurfural (HMF) is a green route to produce value-added chemicals. However, in-depth understanding of the electrocatalytic process is still lacking. Herein, the mechanism of HMF electro-oxidation was studied by operando surface-enhanced Raman spectroscopy (SERS) coupled with an Fe 3+ probe. A multicomponent platform consisting of titanium plates integrated with a gold film and uniform nickel, cobalt and copper nanoparticles (NPs) was employed as an electrode as well as a SERS substrate, enabling operando SERS study on the electrocatalytic process with simultaneous evaluation on catalytic activity and visualization on the variations of active sites. Fe 3+ was intentionally added into the electrolyte as a probe to correlate the nature of active sites with catalytic activity and product selectivity in virtue of its strong interaction with the active sites of the electrocatalysts. Electrodes integrated with Ni and Cu NPs exhibited excellent HMF oxidation performance but their activity were suppressed by adding 1 ppm Fe 3+ . Conversely, the activity towards water oxidation was significantly enhanced by Fe 3+ addition. Fe 3+ inhibits the oxidation of Ni 2+ to Ni 3+ and promotes the formation of more CuO and Cu III . Cu III is better active sites for water oxidation. The presence of Fe 3+ also inhibits the transformation of Co 3+ to Co 4+ , but it has no pronounced effects on HMF oxidation performance. A highest 2,5-furandicarboxylic acid yield (94.0%) and a maximum HMF conversion (98%) are obtained from the electrode integrated with Cu NPs at a potential of 1.47 V. HMF oxidation on Cu NPs follows the aldehyde oxidation pathway, which is not affected by Fe 3+ addition. This work could afford a feasible route to explore mechanisms of electrocatalytic processes.
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JOURNAL OF CATALYSIS
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2022
·
IF 8.047
Xin-Xin Fu,Jian-Peng Li,Zhuo-Qian Li,Yan Liu,Chen-Xiao Feng,Hai-Yang Wang,Zhi-Peng Zhao,Qiao-Yun Liu,Zhong-Yi Liu,Zhi-Kun Peng
Biomass is a promising renewable carbon resource, and bio-based platform molecules such as furan derivatives play an important role in the green manufacturing of high value-added chemicals. Of these, the conversion of 2-methylfuran (2-MF) to 3-acetyl-1-propanol (3-AP) over a bifunctional catalyst has attracted significant interest. However, bifunctional catalysts prepared by traditional method suffer from poor catalytic performance and limited stability due to the agglomeration of metal NPs. Here, Pd@HZSM-5, in which Pd NPs were encapsulated in HZSM-5 in situ showed improved stability and 3-AP yield. The highest yield of 3-AP (90.6%) to date was obtained with a nearly 100% conversion of 2-MF. The catalytic performance over a series of Pd@Zeolite confirms the superiority of the encapsulation effect, which is ascribed to the optimal adjustment of metal/acid balance. The Pd@HZSM-5 catalyst displayed excellent stability due to the encapsulation structure, which restricts the Pd NPs agglomeration. The highest yield of 3-AP was obtained at a high concentration of 2-MF (60%), which implies a promising strategy for the green industrial manufacture of 3-AP. This work reports a new bifunctional catalytic system for the green synthesis of 3-AP from 2-MF, thus stimulating the downstream biomass market.
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高影响因子
FUEL PROCESSING TECHNOLOGY
·
2022
·
IF 8.129
Xin Ning,Junwen Chen,Qi Zuo,Wenlin Li,Jiajun Zheng,Ruifeng Li
Light alkenes oligomerization , performed in the presence of solid acid catalysts , is an important alternative for the production of clean jet fuels. For 1-hexene oligomerization, the current catalyst often suffers from low activity and selectivity. The developed process is upgraded by zeolite catalyst, targeting high-concentration of jet-range hydrocarbons. An efficient and selective IM-5 zeolite-derived catalytic system has been developed for the oligomerization of 1-hexene. The treatment in an aqueous NH 4 F solution led to dealumination without structure degradation. The IM-5 zeolite with a unique two-dimensional IMF structure and 2.5 nm nanoslab showed rapid diffusion ability than ZSM-5 zeolite. Enhance acidities were observed in the NH 4 F-treated IM-5 zeolites owing to fluoride residue and the removal of Al atoms. The strong Brønsted acid sites exerted a positive effect on both the cracking and the oligomerization reactions with the increasing of the yields of dimers. The contact time and partial pressure between the 1-hexene and the IM-5 zeolites were used to analyze the competition of cracking reactions. High 1-hexene conversion (62%), optimal oligomerization to C 3 -C 5 ratio (O/C = 32), and reasonable stability were obtained over the etched IM-5 catalyst at 240 °C, 4 MPa, and the flow rate of N 2 was 50 mL/min.
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Catalysts
·
2021
·Vol. 11
·期 3
·324
·
IF 4.146
Jinkun Guan,Lusha Zhou,Weiquan Li,Die Hu,Jie Wen,Bichun Huang
SO2poisoning is a great challenge for the practical application of Mn-based catalysts in low-temperature selective catalytic reduction (SCR) reactions of NOxwith NH3. A series of Gadolinium (Gd)-modified MnOx/ZSM-5 catalysts were synthesized via a citric acid–ethanol dispersion method and evaluated by low-temperature NH3-SCR. Among them, the GdMn/Z-0.3 catalyst with the molar ratio of Gd/Mn of 0.3 presented the highest catalytic activity, in which a 100% NO conversion could be obtained in the temperature range of 120–240 °C. Furthermore, GdMn/Z-0.3 exhibited good SO2resistance compared with Mn/Z in the presence of 100 ppm SO2. The results of Brunauer–Emmett–Teller (BET), X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction of H2(H2-TPR) and temperature-programmed desorption of NH3(NH3-TPD) illustrated that such catalytic performance was mainly caused by large surface area, abundant Mn4+and surface chemisorbed oxygen species, strong reducibility and the suitable acidity of the catalyst. The in situ diffuse reflectance infrared Fourier transform spectra (DRIFTS) results revealed that the addition of Gd greatly inhibited the reaction between the SO2and MnOxactive sites to form bulk manganese sulfate, thus contributing to high SO2resistance. Moreover, in situ DRIFTS experiments also shed light on the mechanism of low-temperature SCR reactions over Mn/Z and GdMn/Z-0.3, which both followed the Langmuir–Hinshelwood (L–H) and Eley–Rideal (E–R) mechanism.Keywords:SO2poisoning;low temperature;NH3-SCR;in situ DRIFTS
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