JOURNAL OF MOLECULAR STRUCTURE
·
2020
·
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
·
结构生物学
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产品关联
DOI
高影响因子
BIOELECTROCHEMISTRY
·
2019
·
IF 4.474
Xueyan Li,Xianwen Kan
In this work, a novel electrochemical sensing platform was designed and fabricated by the modification of boronic acid functionalized carbon nanodots (B-CNDs) and poly(thionine) (pTHI) on an electrode surface. B-CNDs can not only accelerate electron transfer but also covalently interact with cis-diol groups of dihydronicotinamide adenine dinucleotide (NADH) through functionalized boronic acid groups. Meanwhile, pTHI served as an inner reference element to provide a built-in correction, which enabled the sensor to detect NADH with high accuracy and reliability based on a ratiometric signal (∆I NADH /∆I THI ). The electrochemical experimental results demonstrated that the ratiometric strategy-based sensor possessed good selectivity and high sensitivity. A linear range of 5.0 × 10 −7 - 2.0 × 10 −4 mol/L for NADH detection was obtained with a limit of detection of 1.5 × 10 −7 mol/L. The sensor has been applied to analyze NADH in human serum samples with satisfactory results. The simple and effective ratiometric strategy reported here can be further used to prepare electrochemical sensors for selective, sensitive, and reliable detection of other cis-diol compounds.
研究领域:
生物化学
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分析化学
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产品关联
DOI
PubMed
高影响因子
CRYSTENGCOMM
·
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
ANALYST
·
2018
·Vol. 144
·期 2
·530-535
·
IF 3.864
Bo Peng,Zaiyong Zhang,Jian-Rong Wang,Meiqi Li,Qi Zhang,Xuefeng Mei
Discrimination of active pharmaceutical ingredients (APIs) existing as neutral molecules or salts is essential and complicated. However, the discrimination of pharmaceutical salts by confocal Raman micro-spectroscopy remains relatively poorly understood. In this paper, four new salts of triamterene (Tri) cocrystallized with nicotinic acid (NA), benzoic acid (BA), p-toluenesulfonic acid (TA), or isonicotinic acid (INA) were prepared and characterized comprehensively by powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), polarized light microscopy (PLM), and dynamic vapor sorption (DVS). Ionized pteridine is identified by marker peaks in the confocal Raman micro-spectra that are characteristic of CN. The single crystal structures of Tri-NA·H2O and Tri-TA further demonstrate that a proton transfers from the carboxylic group of NA or TA to the pyrimidine N1 atom of Tri and their salts formation take place. The intrinsic dissolution rate (IDR) and apparent equilibrium solubility of these four salts are improved compared to the pure Tri component, especially for Tri-BA. This study provides a valuable insight into pharmaceutical salt discrimination by vibrational spectroscopy and presents that the combination of Tri with an acid can be a possible and promising alternative formulation of Tri.
研究领域:
药物化学
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分析化学
·
晶体学
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DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
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2025
·
IF 3.8
Guo Mengyue,Ke Tongwei,Zhang Huiru,Zhang Jing,Qin Jia’an,Ruan Haonan,Tian Jiao,He Chunjiao,Luo Yawen,Qin Xuhua,Luo Jiaoyang,Yang Meihua
Thiamethoxam is one of the top three neonicotinoids found in the environment and in food. The widespread use of thiamethoxam in medicinal and edible herbs threatens their safe use. Therefore, it is particularly important to develop a rapid and simple approach to detect thiamethoxam residues in herbal medicines. In this study, colloidal carbon-based immunochromatographic strip (CNP-ICS) and colloidal gold-based immunochromatographic test strip (GNP-ICS) methods were respectively developed for the determination of thiamethoxam . The cutoff value of CNP-ICS was 0.1 ng mL −1 , which is six times more sensitive than that of the GNP-ICS method (0.6 ng mL −1 ). The CNP-ICS method was applied to detect thiamethoxam in medicinal and edible Lonicerae Japonicae Flos (LJF) for the first time, with a limit of detection of 10 ng g −1 . The detection results of thiamethoxam in 26 batches of LJF samples by the CNP-ICS were consistent with those of the LC–MS/MS method. High residue levels (10.16–530.40 ng g −1 ) and high detection rates (69.23%) of thiamethoxam in LJF were observed. The CNP-ICS prepared in this study has the merits of low cost, simple preparation, non-toxicity, and high sensitivity, which can be utilized for rapid field screening of thiamethoxam residues in complex matrices such as herbal medicines. Graphical
研究领域:
植物学
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分析化学
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环境科学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2022
·
IF 6.633
Ying Wang,Bowen Hu,Qing Li,Yijie Wu,Xintong Shang,Pinghua Yang,Yimin Cai,Lihua Yuan,Wen Feng
A challenge in nuclear waste remediation is the construction of extraction systems with exceptional stability and remarkable selectivity under harsh conditions, to achieve efficient uranium separation from nuclear wastewater. In this work, two novel N, O-hybrid extractants, L1 and L2 attaching two or one pyrrolidone groups to the phenanthroline skeleton were synthesized and applied in uranium extraction. Solvent extraction tests showed that these ligands in 3-nitrobenzotrifluoride can extract uranium with fast kinetics, high selectivity over twelve competing ions, and facile stripping. Slope analysis indicated that each uranyl ion binds to one ligand during extraction, and the extraction conforms to the cation exchange mechanism. The effect of temperature on uranium extraction was also carried out to determine the thermodynamic parameters. Notably, outstanding radiation stability was demonstrated for these extractants even after being exposed to 500 kGy γ ray irradiation. In addition, NMR titration and DFT calculations were performed to understand the complexation behaviors between ligands and uranyl ions. This study reveals the potential of these two phenanthroline-based extractants for the use in uranium separation from nuclear wastewater.
研究领域:
核化学与化工
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环境科学
·
计算化学
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DOI
高影响因子
Scientific Reports
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2013
·Vol. 3
·期 1
·1-7
·
IF 2.927
Liu Xian-Wei,Sun Xue-Fei,Chen Jie-Jie,Huang Yu-Xi,Xie Jia-Fang,Li Wen-Wei,Sheng Guo-Ping,Zhang Yuan-Yuan,Zhao Feng,Lu Rui,Yu Han-Qing
In bioelectrochemical system (BES) the extracellular electron transfer (EET) from bacteria to anode electrode is recognized as a crucial step that governs the anodic reaction efficiency. Here, we report a novel approach to substantially enhance the microbial EET by immobilization of a small active phenothiazine derivative, methylene blue, on electrode surface. A comparison of the currents generated by Shewanella oneidensis MR-1 and its mutants as well as the electrochemical analytical results reveal that the accelerated EET was attributed to enhanced interactions between the bacterial outer-membrane cytochromes and the immobilized methylene blue. A further investigation into the process using in situ Raman spectro-electrochemical method coupled with density functional theory calculations demonstrates that the electron shuttling was achieved through the change of the molecule conformation of phenothiazine in the redox process. These results offer useful information for engineering BES.
研究领域:
微生物学
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生物电化学
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环境科学
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产品关联
DOI
PubMed
高影响因子
CRYSTENGCOMM
·
2019
·Vol. 21
·期 34
·5106-5114
·
IF 3.382
Ying Cao,Huixiang Wang,Xiaobo Ren,Fan Li,Jing Wang,Ruimin Ding,Liancheng Wang,Jianbo Wu,Zhong Liu,Baoliang Lv
Herein, MoO3 nanowires (Fe–MoO3 NWs) along the [110] direction were successfully synthesized in the presence of Fe3+ cations. The Fe–MoO3 NWs present a large specific surface area of 174.7 m2 g−1 and rich surface –OH groups, and the possible formation mechanism of such a structure is due to the adsorption of Fe3+ cations toward non-(110) planes of MoO3 in solution with pH greater than its isoelectric point. The obtained Fe–MoO3 NWs show excellent and highly selective adsorption capacity toward quasi-phenothiazine dyes (methylene blue, toluidine blue, azure I, and acridine orange). The dye removal rate could reach 99% in 3 min, and the maximum adsorption capacity is up to 144.3 mg g−1 and the adsorption is up to 28.86 mg g−1 per minute, which is 11 times greater than that of pure MoO3 and far greater than that of the recently reported MoO3 nanostructures. This excellent selective adsorption performance of Fe–MoO3 NWs was mainly attributed to the enhanced chemical adsorption of quasi-phenothiazine dyes by rich surface –OH groups and Fe species through hydrogen bond and coordination bond adsorption with N and S, respectively, which was confirmed by adsorption isotherms and adsorption kinetics. These results suggest the potential application of Fe–MoO3 NWs in the field of water pollution treatment.
研究领域:
材料科学
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环境科学
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DOI
高影响因子
DIAMOND AND RELATED MATERIALS
·
2025
·
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
·
材料科学
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产品关联
DOI
高影响因子
RSC Advances
·
2018
·Vol. 8
·期 17
·9277-9286
·
IF 2.936
Nadeem Muhammad,Fenglian Wang,Qamar Subhani,Qiming Zhao,Muhammad Abdul Qadir,Hairong Cui,Yan Zhu
There are increasing concerns about the dietary risks of neonicotinoids (NNIs); therefore their sensitive and accurate determination in dietary products is indispensable. However, the complex composition of agricultural food matrixes makes their extraction and quantitative determination a challenging task. Realizing this need, we herein report a simple, cost-effective, selective and sensitive fluorescence analytical workflow for analyses of two non-fluorescent neonicotinoids imidacloprid (IMI) and clothianidin (CLT) in six complex food samples (honey, ginger, durian, apple, tomato, cucumber) by online clean-up of sample extracts using two-dimensional ion chromatography (2D-IC) and a subsequent online post column UV induced fluorescence detection system. This online clean-up setup has proven advantageous to improve the limit of detection, potentially diminish matrix effects, and reduce analysis time and labor. The developed method showed excellent analytical figures of merit including linearity, selectivity, repeatability, recovery, and resolution for analysis of IMI and CLT in food samples.
研究领域:
分析化学
·
食品安全
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF ORGANIC CHEMISTRY
·
2021
·
IF 4.354
Xiyan Rui,Chao Wang,Dongjuan Si,Xuechao Hui,Keting Li,Hongmei Wen,Wei Li,Jian Liu
A one-pot and step economic reaction involving Rh(III)-catalyzed C–H thiolation and relay Cu(II)-catalyzed C–N amination of acetanilide and 2-bromothiophenol is reported here, with several valuable phenothiazine products obtained. This synthesis protocol proceeds from easily starting materials, demonstrating high atom economy, broad substrate scope, and good yield. Furthermore, the directing group can be easily eliminated, and chlorpromazine is provided in a large scale; thus this synthesis protocol could be utilized to construct phenothiazine scaffolds.
研究领域:
有机化学
·
药物化学
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产品关联
DOI
PubMed
高影响因子
EUROPEAN POLYMER JOURNAL
·
2020
·
IF 3.862
Yanyan Wang,Xiaoteng Jia,Erik B. Berda,Jiaxin Zhao,Xincai Liu,Danming Chao
Multicolor electrochromic polymers have attracted great attention and interest owing to their potential applications in multicolor displays, intelligent electronic devices, and smart visualized sensors. Herein, we prepared new electrochromic polysiloxanes by chemically coupling oligoaniline groups with cathodically colouring viologen and/or anodically colouring phenothiazine groups, respectively. Due to the combined effect and synergistic effect of paired anodically colouring oligoaniline and cathodically colouring viologen, the resulting polysiloxane exhibits multicolor electrochromic behavior switching from purple to transparent grey, to light green, finally to blue. As the oligoaniline units coupled with anodically colouring phenothiazine groups, the resultant polysiloxane also demonstrates multicolor electrochromic behavior changing from transparent grey to light green, to gray-blue, to brown and finally black purple. Furthermore, good switching durability has also been revealed during the electrochromic measurements, because of their robust network molecular structure and covalent bonding to the substrate.
研究领域:
材料科学
·
化学工程
·
显示技术
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）