JOURNAL OF MOLECULAR STRUCTURE
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2020
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IF 2.463
Rugang Teng,Liping Wang,Mingshuo Chen,Wen Fang,Zhenguo Gao,Yinghui Chai,Pei Zhao,Ying Bao
Cocrystals can be formed with a pair of carefully selected organic molecules, which may present novel structures that are not available for individual molecule. Pharmaceutical cocrystals may offer synergetic physicochemical properties of the drugs. In this paper, we aimed to screen chlorothiazide(CTZ) cocrystals under the structural resemblance strategy to investigate the correlation between the structure of CTZ cocrystals and their physicochemical properties. Four new cocrystals of CTZ were synthesized and characterized, namely CTZ−Sarcosine (CTZ−SAR), CTZ−DL-proline (CTZ−DL-PRO), CTZ−L-proline hydrate (CTZ−L-PRO-H 2 O) and CTZ−D-proline hydrate (CTZ−D-PRO-H 2 O). Single crystal data indicate the CTZ molecule attractively interacts with the amino acids through the amine−carboxylate interactions. CTZ−SAR and CTZ−DL-PRO exhibit very similar crystal structures due to the structural similarity between SAR and PRO. In the two PRO hydrate cocrystals, PRO molecule is in favor to form the hydrogen bonding with the CTZ molecule but not with other neighboring PRO molecules while water is strongly hydrogen bonded to both the CTZ (Sulfonyl O) and the PRO (Amino N–H) as a bridge link. Thermal analysis of hydrate cocrystals shows high thermal stability (∼156 °C). Dissolution kinetic measurements reveal that CTZ−SAR and CTZ−DL-PRO cocrystals exhibit improved solubility in water.
研究领域:
药学
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结构生物学
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DOI
高影响因子
CRYSTENGCOMM
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2014
·Vol. 16
·期 30
·6996-7003
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IF 3.858
Jian-Rong Wang,Chanjuan Ye,Xuefeng Mei
Crystal engineering principles were employed in designing new co-crystals of hydrochlorothiazide (HCT). A variety of potential co-crystal formers were initially identified in a search of the Cambridge Structural Database with complementary hydrogen-bonding functionalities. Subsequent co-crystallization screening monitored by powder X-ray diffraction led to the discovery of new crystalline phases of HCT with pyrazinamide (1), 4,4′-bipyridine (2), 1,2-bis(4-pyridyl)ethane (3), and trans-1,2-bis(4-pyridyl)ethylene (4). All of the resulting co-crystals were thoroughly characterized by X-ray diffraction, FT-IR and Raman spectroscopy, and thermal analysis. Noticeably, the co-crystal 1 involves the formation of drug–drug co-crystals of HCT and pyrazinamide, which makes it a potential candidate for development of HCT formulations for combinational therapy.
研究领域:
药学
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材料科学
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DOI
高影响因子
DIAMOND AND RELATED MATERIALS
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2025
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IF 5.1
Chenxi Wu,Mohammad Jahidul Alam,Shengzhou Qiu,Sima Akter,Shaoli Hong,Kazi N. Islam,Huihong Liu,Sakil Mahmud
Hydrochlorothiazide (HCT), a widely used thiazide diuretic, faces detection challenges due to low sensitivity, interference, and complex analysis methods. This study explores an innovative electrochemical sensor based on cobalt oxide-modified screen-printed carbon electrodes (CoO/SPCE) to enhance HCT detection. CoO was electrodeposited onto SPCE, optimizing parameters like the CoO concentration and electrodeposition time through cyclic voltammetry. Microscopic analysis confirmed smoother CoO/SPCE surfaces, indicative of improved structural integrity. The modified electrode demonstrated an oxidation peak at 0.242 V with a current of 5.8 μA for HCT, outperforming unmodified electrodes. Electrochemical impedance spectroscopy revealed a 495-fold decrease in charge transfer resistance after modification, underscoring enhanced electron transfer. The sensor exhibited a low limit of detection, minimal relative standard deviation for signal stability (RSD = 3.38 %), and consistent multi-electrode performance (RSD = 3.32 %). The linear relationship between peak current and HCT concentration, I = 0.01941c + 0.4319 (R 2 = 0.996), confirms the reliability of the method. This CoO/SPCE sensor offers simplicity and rapid detection, marking a significant advancement for in-field HCT analysis.
研究领域:
分析化学
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药学
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材料科学
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DOI
高影响因子
CURRENT PHARMACEUTICAL DESIGN
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2024
·Vol. 30
·期 32
·2574-2585
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IF 2.6
Yuanjian Wang,Ruixun Wang,Huijia Wang,Ran Liu,Kaishun Bi,Qing Li
BackgroundEssential hypertension is a common clinical disease and a risk factor for cardiovascular and cerebrovascular diseases. Olmesartan medoxomil, amlodipine, and hydrochlorothiazide are commonly used antihypertensive drugs. The aim of this study was to establish a robust UPLC-MS/MS method for the simultaneous determination of olmesartan medoxomil, amlodipine, and hydrochlorothiazide in dog plasma. At the same time, the in vivo and in vitro release studies were conducted, and a preliminary in vitro-in vivo correlation (IVIVC) evaluation was performed.MethodsThe bioequivalence experiment was conducted with a double-crossed design. Three major components were extracted and analyzed by UHPLC-MS/MS. With the MRM scan, olmesartan and amlodipine were quantified by fragment conversion (m/z 447.10→190.10) and (m/z 408.95→294.00) under positive ESI mode, while hydrochlorothiazide was quantified with fragment conversion (m/z 295.90→268.90) under negative ESI mode. The in vitro release studies were performed using a USP paddle, and the dissolution medium was chosen from pH 6.0 to pH 6.8 according to the BCS classification of compounds. The IVIVC was calculated using the Wagner-Nelson equation.ResultsThe linear ranges of olmesartan, amlodipine, and hydrochlorothiazide in the plasma were 5.0-2500, 0.1-50, and 3.0-1500 ng/mL, respectively. All accuracies were within 3.8% of the target values, and the findings revealed that intra-day and inter-day accuracies were less than 12.1%. Moreover, the recoveries exceeded 88.3%, the matrix effect tests were positive, and the stability tests were positive. With the establishment of correlation, the distinguishable dissolution condition (pH 6.8) was selected as the predictable condition.ConclusionThe established method was suitable for the preclinical pharmacokinetic study of tripartite drugs with strong specificity and high sensitivity. Through the evaluation of IVIVC, the connection between in vivo and in vitro drug testing was initially established.
研究领域:
药理学
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分析化学
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临床医学
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DOI
PubMed
高影响因子
Analytical Methods
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2013
·Vol. 5
·期 21
·6094-6099
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IF 1.855
Jing Ma,Fang Wang,Meng Fan,Tianyi Wang,Wei Bian,Shaomin Shuang
The room temperature phosphorescence (RTP) of quantum dots (QDs) offers many advantages compared with fluorescence, such as a longer emission lifetime, wider gap between excitation and emission spectra and minimal interference. Hence, the RTP properties of QDs and their potential for phosphorescence detection have drawn more and more attention. In this paper, N-acetyl-L-cysteine (NAC)-capped Mn-doped ZnS QDs were synthesized by a hydrothermal method. The QDs displayed a strong phosphorescence emission peak at 590 nm upon excitation at 315 nm. Because their RTP was efficiently quenched by hydrochlorothiazide (HCT), a novel RTP method for determination of HCT was developed. The results showed that under the optimized conditions, the changes of RTP intensity showed a good linear relationship with the concentration of HCT in the range of 2.5 to 95 μM, with a limit of detection of 1.25 μM and relative standard deviation of 0.44%. The related theories preliminarily demonstrated the dynamic quenching mechanism. In addition, this method was successfully applied to the analysis of practical samples. The recovery of spiked solutions ranged from 94–104%.
研究领域:
分析化学
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材料科学
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DOI
高影响因子
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
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2014
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IF 0.7
Ren-Dan ZHOU,Lai-Sheng LI,Biao-Ping CHENG,Gui-Zhen NIE,Hong-Fu ZHANG
A 6-azido-β-cyclodextrin was synthesized and derivatized with p -nitrophenyl isocyanate as chiral ligand. Then the ligand was chemically bonded to mesoporous SBA-15 via a ‘Click Chemistry’ reaction of the azido group with alkynyl group. A new p -nitrophenylcarbamoylated β-cyclodextrin bonded SBA-15 chiral stationary phase (NPCSP) for HPLC was thus obtained. The new stationary phase was first used for enantioseparation of propranolol in human plasma under the polar organic solvent mode. The effects of methanol content, concentration of glacial acetic acid/triethylamine in mobile phase and the temperature on the enantioseparation were studied in detail. The optimized chromatographic conditions were as follows: mobile phase was acetonitrile/methanol/glacial acetic acid/triethylamine (90/10/1.25/2.25, V/V ) at 288 K, with a flow rate of 0.5 mL min −1 , an injection volume of 20 μL and detection wavelength at 290 nm. The resolution was 2.04 with a short run time (< 15 min) under the optimal conditions. The content of propranolol in plasma was quantitatively measured by HPLC-MS under selected ion monitoring mode ([M + H] + m/z 260.10) with hydrochlorothiazide as an internal standard. The good linear relationship was observed in the range of 2.5−50 μg L −1 . The detection limits were 1 μg L −1 according to S/N = 3 for both enantiomers. The experimental results showed that the chiral stationary phase exhibited excellent chiral separation ability to propranolol. The analytical method for propranolol enantiomers was sensitive, accurate, simple and fast, which was can be for the determination of propranolol in plasma and related pharmacokinetic studies.
研究领域:
分析化学
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药学
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色谱学
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DOI
高影响因子
ANALYTICA CHIMICA ACTA
·
2023
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IF 6.2
Hongying Liu,Cairui Zhang,Chenwei Wang,Kai Fan,Yuqing Zhang,Lu Fang,Lihua Li,Chaoxiang Ren,Zheng-Zhi Yin,Zhong Lü
Promethazine (PMZ) is an effective antihistamine that is used as a nerve tranquilizer to treat mental disorders. However, drug abuse causes harm to the human body and also pollutes the environment to a certain extent. Therefore, it is crucial to develop a highly selective and sensitive biosensor for PMZ determination. An acupuncture needle (AN) was used as an electrode in 2015, and further research on the electrode's essence in electrochemistry is needed. In this work, a sensor based on a surface imprinted film coordinated Au/Sn biometal was first fabricated on AN via electrochemistry. The obtained cavities showed complementary and suitable sites for “N atom” electron transfer through the phenyl ring structure in promethazine, which is rigorous for the configuration near the interface. Under the optimal conditions, MIP/Au/Sn/ANE exhibits a good linear relationship in the range of 0.5 μM–500 μM, and the detection limit (LOD) is 0.14 μM (S/N = 3). The sensor exhibits good repeatability, stability, and selectivity and can be successfully used to analyze and detect PMZ in human serum and environmental water. The findings are scientifically significant for AN electrochemistry and the sensors have potential for in vivo medicamentosus monitoring in the future.
研究领域:
分析化学
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生物传感
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环境科学
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药物检测
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）