Chinese Journal of Chromatography
·
2022
·Vol. 40
·期 5
·433-442
·
IF 0
Yangjie LI,Jiaying HUANG,Jihui FANG,Zhiye HUANG
A high throughput screening method based on ultra performance liquid chromatography-quadrupole-time-of-flight high resolution mass spectrometry (UPLC-Q-TOF HRMS) was developed for the simultaneous and rapid confirmation of 73 prohibited compounds in cosmetics. The sample was dispersed in a saturated sodium chloride solution and ultrasonically extracted using acetonitrile containing 0.2% (v/v) formic acid. The resultant solution was centrifuged and then cleaned using dispersive solid phase extraction using a primary secondary amine (PSA) sorbent. The purified solution was centrifuged, and the supernatant was filtered through a 0.22 μm membrane before determination. The optimal pretreatment method was determined by comparing the recovery rates obtained using different extraction solvents and different amounts of purifying agents. The chromatographic separation conditions and mass spectrometry scanning mode were also optimized. Chromatographic separation was performed on an Acquity UPLC HSS T3 column (100 mm×2.1 mm, 1.8 μm) with gradient elution using 0.1% (v/v) formic acid aqueous solution and methanol as mobile phases. The eluent from the column was further detected using Q-TOF HRMS with the high resolution multiple reaction monitoring (MRM HR) scanning mode. Retention time, precise mass of parent ion, isotope abundance ratio, and precise mass of fragment ions were the parameters considered for rapid untargeted screening and confirmation. The matrix effects of water- and cream-based cosmetics were investigated. The matrix effects could be addressed using the matrix matched standard curve method. The correlation coefficients for the 73 prohibited compounds were all >0.99 in the corresponding linear concentration range. The limits of detection (LODs) were in the range of 5-150 μg/kg, and the limits of quantification (LOQs) were in the range of 15-450 μg/kg. Average recoveries were in the range of 60.3%-130.3% at three spiked levels, and the intra-day and inter-day precisions were 0.8%-10.0% ( n =6) and 1.1%-15.0% ( n =3), respectively. A total of 692 cosmetics samples were screened; 16 positive samples were detected, namely, sulfamethoxazole, meprednisone, lincomycin, 4-acetamidophenol, trimethoprim, alfacalcidol, betamethasone 17-valerate, brimonidine, chloramphenicol, chlorpheniramine, clobetasol propionate, crotamiton, econazole, ketoconazole, prednisone 21-acetate, and prednisone, with content in the range of 0.5-1136.1 mg/kg. The optimized method is accurate, fast, and simple, and it is suitable for the routine detection and rapid screening of common prohibited compounds in cosmetics. In addition, a screening and confirmation library was established for the 650 prohibited compounds using SCIEX OS and Library View software, using information-dependent acquisition (IDA)-MS/MS mode for MS data acquisition. The database contains multiple types of information, including formulas, theoretical exact mass, retention time, precise mass of parent ion, isotope abundance ratio, and fragment ion distribution. The library can be used for the simultaneous and rapid confirmation of prohibited compounds in cosmetics.
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ACS ES&T Engineering
·
2022
·
IF 0
Fan Li,Zhicong Lu,Peng Zhang,Yang Jin,Tong Li,Chun Hu
The adsorption of organic pollutants on the surface defects of photocatalysts can directly change the surface redox reaction to improve the photocatalytic degradation efficiency; however, the interaction mechanism remains unclear. In this study, graphitic carbon nitride (g-C3N4) with C vacancies enabling more C–NHx exposure (HTCN) was synthesized and used to study the effect of organic pollutant adsorption on photocatalytic properties. The exposure of C–NHx distinctly separates the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital of HTCN and avoids the competitive adsorption between O2 and organic pollutants on the HTCN surface, facilitating the generation of O2•– and direct pollutant oxidation by h+. More importantly, the pollutants exactly adsorbed on the HOMO distribution area of HTCN derived from C vacancies further regulate the energy band structure by spontaneous electron transfer, which promotes more electrons to be captured by O2 for O2•– generation and high-performance degradation of pollutants.
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INTERNATIONAL JOURNAL OF PHARMACEUTICS
·
2021
·
IF 5.875
Qi Tian,Peng Quan,Liang Fang,Hui Xu,Chao Liu
A transdermal/topical absorption classification system for the characterization of the systemic or local delivery of drugs is the theoretical basis for the design and evaluation of transdermal/topical formulations. A classification system was established on the basis of the in vitro and in vivo skin permeation/retention behaviors of 12 model drugs. Drug skin penetration/retention exhibited a significant correlation with physicochemical parameters (log K O/W , molecular weight, polar surface area, and polarizability). Four representative model drugs were selected to clarify the molecular mechanisms of drug skin permeation/retention behaviors. The excellent lipid-disrupting effect and enhanced partitioning exhibited by propranolol (high permeation–high retention) and zolmitriptan (high permeation-low retention) via the formation of moderate H-bonds with skin lipids were proven by ATR–FTIR (Δ ν asCH2 > 2 cm −1 ), Raman spectra (ΔLPP, SPP > 0.2 nm), and X-ray scattering (lipid crystallization) and were supported by 13 C NMR results. The low lipid miscibility of zolmitriptan (Δ H zolmitriptan-lipid = 126.92 J/g) caused the low skin retention of this drug. High polarizabiltiy ( α = 38.5 × 10 −24 cm 3 ) and low H-bond forming capability ( E H-bond = 0 kcal/mol) restricted terbinafine (low permeation–high retention) in terms of partitioning ( k D-SC = 0.09). Diclofenac (low permeation–low retention) stabilized skin lipids through the formation of strong H-bonds and exhibited excessive drug–lipid miscibility (Δ H diclofenac-skin = −128.73 J/g), thus restricting its skin absorption. This classification system reflects the most essential drug skin absorption characteristics and provides a theoretical basis for the design of transdermal/topical formulations.
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高影响因子
TOXICOLOGY AND APPLIED PHARMACOLOGY
·
2023
·
IF 3.8
Fei Gong,Huihui Hu,Ying Ouyang,Zheng-Zheng Liao,Ying Kong,Jin-Fang Hu,Hua He,Ying Zhou
The drug-drug interactions (DDIs) between tacrolimus and voriconazole are highly variable among individuals. We aimed to develop a physiologically based pharmacokinetic (PBPK) model to predict the DDIs in people with different CYP3A5 and CYP2C19 alleles. First, pharmacokinetic data of humans receiving tacrolimus with or without voriconazole from the literature were used to construct and validate the PBPK model. Thereafter, we developed a model incorporating the metabolism of voriconazole mediated by CYP2C19 and the inhibitory effect of voriconazole on CYP3A4/5. Finally, the model was used to evaluate the dose adjustment of tacrolimus in people with different CYP3A5 and CYP2C19 alleles. When tacrolimus was administered alone (3 mg PO, single dose), the predicted AUC 0-∞ of tacrolimus in CYP3A5 nonexpressers (19.22) was 3.5-fold higher than that in expressers (5.48). Following voriconazole (200 mg PO, bid) administration in human with different CYP2C19 genotypes, the AUC 0-∞ of tacrolimus increased by 5.1- to 8.3-fold in CYP3A5 expressers and by 5.3- to 10.2-fold in CYP3A5 nonexpressers. The lower the gene expression level of CYP2C19 in the population, the higher the exposure to tacrolimus. When tacrolimus was combined with voriconazole (200 mg, bid; 400 mg, bid, on Day 1), the final model simulations suggested that the dose regimen of tacrolimus should be regulated to 0.15 mg/kg/day (qd) in CYP3A5 expressers with different CYP2C19 genotypes. For CYP3A5 nonexpressers, the dosing schedule of tacrolimus should be modified to 0.05 mg/kg/24 h for patients with 2C19 EM, 0.05 mg/kg/48 h for 2C19 IM and 0.05 mg/kg/72 h for 2C19 PM. In conclusion, a PBPK model with CYP3A5 and CYP2C19 polymorphisms was successfully established, providing more insights regarding the DDIs between tacrolimus and voriconazole to guide the clinical use of tacrolimus.
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高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Shaoqian Liu,Chao Lu,Jiemei Liu,Dongxuan Yang,Yanfen Fang,Chun Hu,Lai Lyu
Livestock and poultry manure (LM) management issues stemming from high-density livestock production and the increasing presence of emerging contaminants (ECs) in the water environment pose a significant threat to the ecosystem and public health. It is difficult for current technology to achieve efficient management of LM and ECs with low energy consumption. In this work, a novel and efficient DRC catalyst (Cu-CPM) is prepared for the first time using pigeon manure waste. Cu-CPM facilitates directed electron transfer and energy supply of ECs to activate dissolved oxygen in water as the primary electron acceptor for the generation of reactive oxygen species, resulting in the high-efficiency removal of ECs without the addition of extra oxidants or energy. The performance of the system is unaffected by the presence of various environmental factors (pH, anions, NOM, etc.). Notably, tetracycline (TC) as a typical ECs is completely removed within 15 min in actual water environment. Even after 1,080 h of simulated tertiary wastewater treatment, the removal of TC remains at 100 %. This work provides a reference for resource utilization of LM and efficient removal of ECs in complex water environment without external consumption.
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JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
·
2025
·
IF 4.9
Rui Li,Wenhui Ruan,Rui Hao,Jue Chen,Chu Xu,Liyan Lu,Yingli Wang
Cannabidiol (CBD) is a natural cannabinoid with anti-epileptic, anti-inflammatory, and other biological activities. However, CBD is highly lipophilic, and its oral bioavailability is only 6%, which greatly limits its efficacy. Here, we aimed to overcome the poor solubility and low oral bioavailability of CBD by formulating O-carboxymethyl chitosan-grafted cholesterol succinate monoester-loaded cannabidiol nanomicelles (CBD/CCMC NMs). The particle size, polydispersity index, and zeta potential of the optimised CBD/CCMC NMs were 230.61 ± 1.82 nm, 0.17 ± 0.05, and -13.52 ± 1.24 mV, respectively. And it showed a spherical structure under scanning electron microscopy, exhibited stability at 25 °C and 37 °C, with pH-dependent release in vitro . There was improved the solubility of CBD in water by 568.67-fold and exhibited excellent biocompatibility. There was also improved bioavailability of CBD. Therefore, CBD/CCMC NMs can be used as delivery systems for improving the solubility and intestinal absorption of hydrophobic drugs.
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Nature Communications
·
2025
·Vol. 16
·期 1
·1-11
·
IF 15.7
Wang Weixue,Liu Yang,Du Xinjie,Wang Huihui,Ai Yuejie,Liu Qianwei,Wang Xiangke,Chen Zhe
Two-dimensional (2D) nanomaterials display unique characteristics owing to their ultrahigh surface-to-volume ratio and quantum confinement effects. Nonetheless, seeking a versatile and facile method to rationally shape ultrathin 2D frameworks is still an appealing challenge. Herein, a series of ultrathin 2D metal oxide crystals (2D MOs), including 3d transition metals (Ti, Cr, Mn, Fe, Co, Ni, Cu, Zr, W), lanthanide (Ce) and nontransition metal (In, Sn, Bi) oxides, were created through a confined interlayer growth strategy in combination with melt infiltration, in which no complicated chemistry or sophisticated equipment was needed. The 2D oxides presented lamellar constructions with high crystallinity, and the thickness was strictly limited to ~ 1 nm. The crystallization process, including the Frank-van der Merwe mode and the Volmer-Weber mode, was described. The defects and distortions of 2D TiO 2 reduced the optical band gap and improved the sunlight utilization efficiency, thus accelerating the photocatalytic activity. This method could be extended to the preparation of 2D polymetallic oxides, metal sulfides etc., which enables the development of versatile systems for ultrathin 2D frameworks, especially for nonlayered structures originally.
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高影响因子
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