DRUG METABOLISM AND DISPOSITION
·
2020
·Vol. 48
·期 5
·345-352
·
IF 3.231
Xiaohua Zhao,Hong Ma,Qiusha Pan,Haiyi Wang,Xingkai Qian,Peifang Song,Liwei Zou,Mingqing Mao,Shuyue Xia,Guangbo Ge,Ling Yang
Doxophylline (DOXO) and theophylline are widely used as bronchodilators for treating asthma and chronic obstructive pulmonary disease, and DOXO has a better safety profile than theophylline. How DOXO’s metabolism and disposition affect its antiasthmatic efficacy and safety remains to be explored. In this study, the metabolites of DOXO were characterized. A total of nine metabolites of DOXO were identified in vitro using liver microsomes from human and four other animal species. Among them, six metabolites were reported for the first time. The top three metabolites were theophylline acetaldehyde (M1), theophylline-7-acetic acid (M2), and etophylline (M4). A comparative analysis of DOXO metabolism in human using liver microsomes, S9 fraction, and plasma samples demonstrated the following: 1) The metabolism of DOXO began with a cytochrome P450 (P450)–mediated, rate-limiting step at the C ring and produced M1, the most abundant metabolite in human liver microsomes. However, in human plasma, the M1 production was rather low. 2) M1 was further converted to M2 and M4, the end products of DOXO metabolism in vivo, by non-P450 dismutase in the cytosol. This dismutation process also relied on the ratio of NADP+/NADPH in the cell. These findings for the first time elucidated the metabolic sites and routes of DOXO metabolism in human.
研究领域:
药理学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
NEW JOURNAL OF CHEMISTRY
·
2022
·Vol. 46
·期 9
·4198-4211
·
IF 3.925
Na Liu,Juan Teng,Alula Yohannes,Hang Song,Shun Yao
For the extraction of theophylline from a water phase, four hydrophobic ionic liquids (ILs) were designed and synthesized which included various amino acid ester cations and the same bis(trifluoromethyl)sulfonimide anion. After screening, L-phenylalanine ethyl ester bis(trifluoromethyl)sulfonimide ([PheC2][Tf2N]) showed the highest distribution coefficient and it was then applied to further investigations focused on the extraction conditions. It was also immobilized through a simple procedure and used for the adsorption of theophylline for comparison. The new sorbent was characterized via infrared spectroscopy (IR), scanning electron microscopy (SEM), elemental analysis, thermogravimetric analysis, and particle size analysis. In addition, thorough investigations into the adsorption conditions, kinetics, isotherms, and thermodynamics were carried out, together with selective separation studies. The post-treatment and reuse of the IL were also explored using the two separation approaches. A comprehensive comparison was made between these approaches and reported methods.
研究领域:
化学
·
药学
✓ 已验证
DOI
高影响因子
Crystals
·
2019
·Vol. 9
·期 5
·260
·
IF 2.061
Manli Zhu,Yongli Wang,Fei Li,Ying Bao,Xin Huang,Huanhuan Shi,Hongxun Hao
In this work, theophylline was selected as the model compound to study and simulate the solution-mediated polymorphic transformation. The polymorph I and polymorph II of theophylline were prepared and fully characterized. Raman and UV spectra methods were carried out to observe the phase transformation of theophylline from polymorph I to polymorph II at different temperatures. The theoretical models, including dissolution model, nucleation model, and growth model, were established to describe and simulate the transformation processes. By combination of experiments and simulations, the controlling steps of the transformation processes were discussed. The effects of temperature and/or solvent on the transformation processes were evaluated. This work can shed light on the polymorphic transformation processes.Keywords:theophylline;polymorphic transformation;temperature;solvent;mathematical model
研究领域:
药学
·
化学
✓ 已验证
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2013
·
IF 2.206
Chongjun Liu,Leping Dang,Yao Tong,Hongyuan Wei
In this paper, the influence of polymorphs on the transformation water activity that corresponds to the transformation between hydrate and anhydrate of theophylline was investigated. Theophylline is known to exist either as anhydrates or a monohydrate. The transformation water activities of theophylline form II and IV were determined respectively, and the solubility data of these two forms in methanol, ethanol, acetonitrile, and acetone was also determined. The following thermodynamic derivation indicates that the transformation water activity ratio of theophylline forms II to IV can be correlated with the solubility ratio. According to the above study, the stability and intercoversion of theophylline polymorphs is discussed. This work will be useful in understanding the transformation process and benificial for industrial process control.
研究领域:
药学
·
物理化学
✓ 已验证
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2020
·
IF 4.192
Xiaoyun Jiang,Dingmin Zhang,Yongling Lu,Lishuang Lv
Increasing evidence has identified the unsaturated aldehyde acrolein (ACR) as the potential factor that causes deoxyribonucleic acid cross-linking and the development of chronic diseases. The objective of this study was to investigate the mechanism by which theophylline (TP) scavenges ACR for the first time. TP efficiently scavenged ACR through forming adducts, which was demonstrated in a system in which TP was incubated with ACR at different ratios for different times for liquid chromatography with tandem mass spectrometry. Then, the mono- and di-ACR-TP adducts were purified, and their structures were elucidated by high-resolution mass spectrometry and nuclear magnetic resonance analysis. We found that the ACR residue on mono-ACR-TP further trapped one more ACR and formed di-ACR-TP adducts. Furthermore, mono- and di-ACR-TP had similar time-dependent ACR-scavenging activity to TP. Finally, we demonstrated that green tea, coffee, and cocoa inhibited ACR by trapping ACR to form mono- and di-ACR-TP adducts during the incubation of green tea, coffee, and cocoa with ACR.
研究领域:
食品科学
·
毒理学
·
生物化学
✓ 已验证
DOI
PubMed
高影响因子
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
·
2022
·Vol. 128
·期 4
·1-10
·
IF 2.983
Zhang Hongding,Wu Sifei,Xing Zhenhua,Gao Man,Sun Mengwei,Wang Jiaoyu,Wang Hai-Bo
Main conclusion Carbon dots (CDs) have attracted more and more attention due to their low toxicity, good biocompatibility and easy preparation. However, synthesis of CDs with high quantum yield using green and economic method is still challenging. Herein, an effective synthesis route was reported for green synthesizing CDs using waste chicken eggshell membrane as carbon source via microwave-assisted method. The obtained CDs showed good photo-stability with a high quantum yield of 19.5%. The as-prepared CDs was designed as a fluorescent probe for facile, rapid, sensitive determination of theophylline (TP) based on the fluorescence turn on–off strategy. The designed method exhibited good performance for the determination of TP. Under the optimal conditions, the fluorescent response of CDs was proportional to the TP concentrations in the range of 0.1–1 and 1–1000 μM with limit of detection of 28 nM. Moreover, the proposed method was applied to detect the TP content in tea samples. The as-prepared CDs provide a green and economic approach for the food safety test. Graphical abstract Eggshell membrane-derived carbon nanodots for direct and rapid detection of theophylline.
研究领域:
分析化学
·
食品安全检测
·
纳米材料
✓ 已验证
产品关联
DOI
高影响因子
International Journal of Electrochemical Science
·
2023
·
IF 1.5
Ziwei Wang,Rui An,Yuxuan Dai,Hongxia Luo
In this work, carbon dots (CDs) were produced by one-step ultrasound technology with glucose as the precursor. The effective synthesis of CDs was characterized by Raman spectroscopy and UV-visible spectra. The as-prepared CDs were fixed on a glassy carbon electrode (GCE) via electrochemical deposition to fabricate CDs/GCE, which simultaneously detected dopamine (DA), uric acid (UA), L-tryptophan (Trp) and theophylline (TP). With the differential pulse voltammetry technique, the oxidation peak currents of these four biomolecules were significantly enhanced on CDs/GCE compared to those on bare GCE. The potential differences of DA-UA, UA-Trp, and Trp-TP were computed as 145 mV, 381 mV, and 323 mV, respectively. The broad linear ranges were 0.5-50 μM for DA, 3-75 μM for UA, 1-65 μM for Trp and 10-200 μM for TP with limits of detection (LODs) of 0.007 μM, 0.011 μM, 0.11 μM and 0.33 μM (S/N = 3), respectively. The CD/GCE sensor had good stability and strong anti-interference ability and was applicable to detecting actual samples.
研究领域:
分析化学
·
生物医学工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF PHARMACY AND PHARMACOLOGY
·
2012
·Vol. 65
·期 1
·149-155
·
IF 2.175
Zhang Yan-Hui,Zhang You-Jin,Guo Yan-Lei,Li Wen-Juan,Yu Chao
ObjectivesWith the growing popularity of herbal and natural medicinal products, attention has turned to possible interactions between these products and pharmaceutical drugs. In this study, we examined whether astragaloside IV (AGS-IV) could inhibit the activity of CYP1A2 in rat liver microsomes in vitro and in vivo.MethodsThe effect of AGS-IV on CYP1A2 activity was investigated using probe substrates: phenacetin in vitro and theophylline in vivo. Phenacetin was incubated in rat liver microsomes with or without AGS-IV, and the mechanism, kinetics and type of inhibition were determined. The inhibitory effect of AGS-IV on CYP1A2 activity in rats was also determined using theophylline in vivo. The pharmacokinetics of theophylline were observed after a single or week-long treatment with AGS-IV.Key findingsAGS-IV was found to be a competitive inhibitor with a Ki value of 6.29 μm in vitro. In the multiple-pretreatment rat group, it was found to have a significantly higher area under the concentration–time curve (AUC) for theophylline, as well as a lower apparent oral total body clearance value (CL/F). In contrast, no significant difference in metabolism of theophylline was found for the single pretreatment group.ConclusionsThese findings suggest that AGS-IV is a potent inhibitor of CYP1A2. This work offers a useful reference for the reasonable and safe use of clinically prescribed herbal or natural products to avoid unnecessary herb–drug interactions.
研究领域:
药理学
·
中药学
·
代谢酶研究
✓ 已验证
DOI
高影响因子
ANALYTICAL SCIENCES
·
2012
·Vol. 28
·期 5
·497-502
·
IF 1.255
Li Yamin,Wu Shufang,Luo Peili,Liu Jie,Song Ge,Zhang Kai,Ye Baoxian
An ultrasensitive voltammetric sensor, a simply coated graphene-Nafion suspension on a glass carbon electrode surface, was fabricated and used to investigate the electrochemical behavior of theophylline as described in the present paper. The results indicated that this voltammetric sensor exhibited a special recognition capacity to determine theophylline as well as having high sensitivity due to the excellent characteristics of graphene and the adsorption action of Nafion for theophylline. Under the selected condition using differential pulse voltammetry, the response peak currents had a linear relationship with the theophylline concentrations in two ranges from 1.0 × 10 –8 – 1.0 × 10 –6 and 2.0 × 10 –6 – 3.0 × 10 –5 mol L –1 with a low detection limit of 6.0 × 10 –9 mol L –1 . Moreover, according to the results obtained in the analysis of theophylline in two standard samples, it demonstrated the applicability of present method into real sample determination.
研究领域:
分析化学
·
电化学
✓ 已验证
DOI
PubMed
高影响因子
Journal of Water Process Engineering
·
2024
·
IF 6.3
Jiao Liu,Fan Yang,Yanjie Xie,Meijie Ren
This study confirmed the discrepancy of growth period and molecular weight (MW) of extracellular organic matter (EOM) on the photodegradation of carbamazepine (CBZ) and theophylline (TF). Comparing to high MW EOM (100 kDa), low MW components (<100 kDa) acted as stronger competitors to photons and free radicals, which restrained the photodegradation of CBZ and TF. 3 EOM* played an important role in the degradation of CBZ and TF. Lignin was considered as a new precursor of 3 EOM*, which was highly depended on the MW of EOM. The high MW 3 EOM* was derived from the CHON compound, while the low MW 3 EOM* was derived from the CHONS compound. The results demonstrated that the discrepancy of EOM properties in algae growth period might play a non-negligible influence in the migration and transformation of CECs in the true natural water system.
研究领域:
环境科学
·
药理学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2014
·
IF 2.045
Chongjun Liu,Leping Dang,Wenshuai Bai,Rui Wang,Hongyuan Wei
In this work, the thermodynamics of theophylline anhydrate and monohydrate were investigated. The solubilities of theophylline anhydrate and monohydrate in methanol–water and isopropanol–water mixtures were measured from 278.15 K to 303.15 K. Then the solubility data were correlated with the combined nearly ideal binary solvent/Redlich–Kister (CNIBS/R–K) model and the modified Jouyban–Acree model, respectively. The water activity aT that corresponds to the transformation between hydrate and anhydrate forms of theophylline was investigated. The water activity was accurately calculated by the Wilson equation and correlated by the van’t Hoff equation. The transformation enthalpy and entropy were calculated as well. The ternary phase diagrams of the theophylline–methanol–water system and theophylline–isopropanol–water system thus were obtained.
研究领域:
药学
·
物理化学
✓ 已验证
DOI
高影响因子
MICROCHIMICA ACTA
·
2019
·Vol. 186
·期 11
·1-8
·
IF 5.479
Hu Xiaopeng,Xi Jiajia,Xia Yuanyuan,Zhao Faqiong,Zeng Baizhao
A space-confined synthesis method is employed for the preparation of a single-layer MoS 2 –boron doped ordered mesoporous carbon nanocomposite. A phenol-formaldehyde resin is used as carbon source to create a confined space for the formation of single-layer MoS 2 . The addition of pluronic F127, as a soft template, suppresses the stacking of MoS 2 layers and makes the composite porous. The nanocomposite is characterized by scanning electron and transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy and energy dispersive X-ray spectroscopy. The single-layer MoS 2 sheets have a lateral size of about 5 nm and are uniformly embedded in the composite. They possess numerous active edge sites and display a strong synergistic effect with other components. The composite is modified on a glassy carbon electrode, followed by the electrochemical imprinting of theophylline, and the resulting electrode exhibits good electrochemical response to theophylline. The linear response range is 0.01–250 μM by differential pulse voltammetry, and the lower detection limit is 5 nM. It has been successfully applied to the determination of theophylline in spiked tea drink samples.
Single-layer MoS 2 –boron doped ordered mesoporous carbon nanocomposite has large surface area and high catalysis, when coupling with molecularly imprinted polymer the resulting electrode shows highly sensitive and selective response to theophylline.
研究领域:
材料科学
·
分析化学
·
药物分析
✓ 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）