JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Mingya Wang,Hongxia Pan,Yongzheng Liu,Jun Chen,Duanlin Cao,Linxiu Zhao
3(5)-Nitropyrazole is obtained by rearrangement of 1-nitropyrazole in high boiling organic solvents. In this paper, the solubility of 3(5)-nitropyrazole in 12 high boiling solvents (anisole, benzonitrile, mesitylene, o-dichlorobenzene, 1-octanol, benzyl alcohol, 2-ethylhexyl acetate, dimethyl glutarate, cyclohexanone, N,N-dimethylformamide, N-methylformamide, and isophorone) was determined using the static gravimetric method over the temperature range of 283.15–323.15 K. The experimental results revealed that the solubility of 3(5)-nitropyrazole exhibited a positive correlation with temperature. Under ambient conditions at 298.15 K, the solubility decreased in the following order: N,N-dimethylformamide (37.705 × 10–2), N-methylformamide (20.131 × 10–2), cyclohexanone (13.469 × 10–2), isophorone (11.957 × 10–2), dimethyl glutarate (6.667 × 10–2), benzyl alcohol (3.909 × 10–2), benzonitrile (2.915 × 10–2), 1-octanol (1.916 × 10–2), 2-ethylhexyl acetate (1.220 × 10–2), o-dichlorobenzene (0.666 × 10–2), anisole (0.688 × 10–2), and mesitylene (0.246 × 10–2). The solubility of 3(5)-nitropyrazole was fitted using the Apelblat equation, λh equation, NRTL model, and van’t Hoff model. The fitting results were evaluated using average relative deviation and RMSD. The NRTL model exhibited the best overall performance. The use of Hansen solubility parameters for solubility prediction and analysis has certain limitations.
研究领域:
化学工程
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物理化学
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高影响因子
NEW JOURNAL OF CHEMISTRY
·
2021
·Vol. 45
·期 18
·8306-8313
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IF 3.591
Hui Xu,Yue Xiao,Jinlu Tang,Dongfang Liu,Xinxin Shi,Aaron Albert Aryee,Hongmin Meng,Lingbo Qu,Zhaohui Li
Chemotherapy for cancer treatment is widely used but remains restricted by several limitations, including inefficient drug delivery and concomitant adverse side effects. Herein, we report a new prodrug-based self-assembled nanoparticle for the efficient treatment of cancer. Amphiphilic prodrug molecules (3′,5′-dioleoyl floxuridine, DOF) were constructed to form prodrug nanoparticles (DOF NPs) through a self-assembly process in water via hydrophobic interactions. The DOF NPs with high stability can be quickly enriched in tumor cells and release the floxuridine drug via hydrolysis of ester bonds by esterase. In vitro experiments reveal that the DOF NPs possess satisfactory tumor killing effects and weak toxicity and side effects. These unique features could further promote the research progress of prodrug-based self-assembled strategies for the application of chemotherapy in cancer.
研究领域:
药学
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肿瘤学
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纳米医学
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高影响因子
Chemistry Central Journal
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2013
·Vol. 7
·期 1
·1-5
·
IF 1.312
Liu Run-Qiang,Bai Lian-yang,Zhang Yi-Jun,Zhang Yu-Ping
Background At present, the study on the homogeneous-phase derivatization of cellulose in ionic liquid is mainly focused on its acetylation. To the best of our knowledge, there has been no such report on the preparation of cellulose-tris(3,5-dimethylphenylcarbamate) (CDMPC) with ionic liquid 1-allyl-3-methyl-imidazolium chloride (AmimCl) so far.Results With ionic liquid 1-allyl-3-methylimidazolium chloride (AmimCl) as a reaction solvent, cellulose-tris(3,5-dimethylphenylcarbamate) (CDMPC) was synthesized by the reaction of 3,5-dimethylphenyl isocyanate and soluble microcrystalline cellulose in a homogeneous phase. The synthesized CDMPC was then coated onto the surfaces of aminopropyl silica gel to prepare a chiral stationary phase (CSP). The prepared CSP was successfully used in chiral separation of seven racemic pesticides by high performance liquid chromatography (HPLC). Good chiral separation was obtained using n-hexane and different modifiers as the mobile phases under the optimal percentage and column temperature, with the resolution of metalaxyl, diniconazole, flutriafol, paclobutrazol, hexaconazole, myclobutanil and hexythiazox of 1.73, 1.56, 1.26, 1.00, 1.18, 1.14 and 1.51, respectively. The experimental results suggested it was a good choice using a green solvent of AmimCl for cellulose functionalization.Conclusion CDMPC was successfully synthesized as the chiral selector by reacting 3, 5-dimethylphenyl isocyanate with dissolved microcrystalline cellulose in a green ionic liquid of AmimCl.
研究领域:
分析化学
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绿色化学
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DOI
PubMed
高影响因子
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
·
2019
·
IF 4.833
Wen-Jing Zhu,Ben-Wen Cui,Hui Min Wang,Ji-Xing Nan,Hu-Ri Piao,Li-Hua Lian,Cheng Hua Jin
Six series of 4-(benzo[ c ][1,2,5]thiadiazol-5-yl)-3(5)-(6-methylpyridin-2-yl)- pyrazoles 18a – d , 19a – d , 22a – d and 3(5)-(6-methylpyridin-2-yl)-4-(thieno[3,2,- c ]- pyridin-2-yl)pyrazoles 20a – d , 21a – d , 23c , 23d have been synthesized and evaluated for their activin receptor-like kinase 5 (ALK5) and p38α mitogen activated protein (MAP) kinase inhibitory activities in enzymatic assays. Among these compounds, the most active compound, 22c , inhibited ALK5 phosphorylation with an IC 50 value of 0.030 μM in the enzymatic assay. Compound 22c showed four-fold more potent activity against ALK5 kinase than the clinical candidate, compound LY-2157299 . The selectivity index of 22c against p38α MAP kinase is 235, which is much higher than that of LY-2157299 (4) and equally selective to that of EW-7197 (218). Compound 22c effectively suppressed protein and mRNA expression of collagen I and α-SMA in TGF-β-induced LX-2 human hepatic stellate cell (HSC), this result shows that compound 22c has the ability to inhibit the activation of HSC. Compound 22c is expected to be a preclinical candidate for the treatment of hepatic fibrosis .
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PubMed
高影响因子
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
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2022
·Vol. 25
·期 6
·1031-1039
·
IF 1.714
Chen Genqiang,Zhu Lina,Xia Yanfei,Yang Jinming,Zhang Song,Li Yuanhao,Guo Xiaolong,Sun Di,He Jiaxuan,Tian Yuee,Liu Shengming,Jiang Jia,Che Zhiping
Background: Developing the high-efficiency and low-risk small-molecule greennematocide is the key of effective control of the nematodes. Paeonol, is a naturally occurring phenolic compound, isolated from the root bark of Paeonia suffruticosa and the whole plant of Cynanchum paniculatum.
Due to its crucial phenolic ketone skeleton, modern biological science research has indicated that paeonol has a wide range of biological activities. Methods: The structural modification of paeonol into paeonol carbonyl hydrazone derivatives is a potential approach for the development
of novel nematodes, which showed more toxicity than paeonol. However, there are no reports on the nematicidal activity of paeonol carbonyl hydrazone derivatives to control Heterodera glycines. Results: We always endeavor to discover and develop biorational natural products-based pesticidal
agents, 4 significant intermediates and 21 novel 3/5(3,5)-(di)nitro/chloropaeonol carbonyl hydrazone derivatives were prepared, and their structures well characterized by 1H NMR, HRMS, MS, and mp. Due to the steric hindrance, the substituents on the C=N double bond of
all hydrazine compounds adopted E configuration. Results of nematicidal activity revealed that, among all compounds, especially 5-nitropaeonol (5) and 3,5-dinitropaeonol (7) displayed the most potent nematicidal activity H. glycines in vivo with LC50 values of 0.0323
and 0.0367 mg/mL, respectively. Conclusion: It suggested that for the 3/5(3,5)-(di)nitro/chloropaeonol carbonyl hydrazone derivatives, a nitro group introduced at C5 position of 1 was necessary for obtaining the potent compound as nematicidal agents. These preliminary results will pave
the way for further modification of paeonol in the development of potential new nematicides.
研究领域:
植物化学
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农药学
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药理学
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PubMed
高影响因子
AQUATIC TOXICOLOGY
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2020
·
IF 4.346
Lei Peng,Chang Wang,Pingdeng Li,Bo Cheng,Yeli Hu,Yang Cheng,Qi Zheng
Halogenated dipeptides, 3, 5-di-I-tyrosylalanine (DIYA), have been identified as novel disinfection byproducts (DBPs), following chloramination of authentic water. However, little is known about their toxicity. Zebrafish embryos were used to assess the toxicity of novel iodinated DBPs (I-DBPs). Although DIYA did not exhibit high acute toxicity to embryonic zebrafish (LC 50 > 2 mM), it significantly inhibited pigmentation of melanophores and xanthophores on head, trunk and tail at 500 μM as determined by photographic analysis. Whereas N-phenylthiourea (PTU) as a pigment inhibitor did not inhibit development of yellow pigments. Colorimetric detection of melanin further confirmed these results. Quantitative real time polymerase chain reaction (qRT-PCR) measurements indicated that genes ( dct , slc24a5 , tyr , tyrp1a , tyrp1b , silva ) associated with the melanogenesis pathway were dramatically down-regulated following exposure to 500 μM DIYA. In addition, enzymatic activity of tyrosinase (TYR) decreased, also demonstrating that the underlying mechanism of hypopigmentation was attributed to the disruption of melanogenesis pathway. Transcription levels of xanthophore genes ( gch2 , bnc2 , csf1a , csf1b , pax7a and pax7b ) were also monitored by qRT-PCR assay. DIYA exposure up-regulated expression of gch2 and bnc2 , but not csf1 and pax7 . Tested DIYA analogues, brominated tyrosine was unlikely to inhibit pigmentation, indicating that the iodine substitution and dipeptides structure are of important structural feature for the inhibition of pigmentation. In this study, we observed that DIYA inhibited melanogenesis related genes, which might contribute to pigmentation defects. Moreover, as an emerging I-DBPs, the developmental toxicity of aromatic dipeptides should be further studied.
研究领域:
环境毒理学
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发育生物学
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水生毒理学
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DOI
PubMed
高影响因子
CERAMICS INTERNATIONAL
·
2020
·
IF 3.83
Yunjia Hu,Tengchao Guo,Kangsen Peng,Shujuan Tan,Cheng Xu,Jie Deng
In this study, Ce 1−x Cu x O 2−x (x = 0, 0.01, 0.03, 0.05, 0.07) samples were prepared by hydrothermal method . The structure, microstructure, and elemental composition of the powders were characterized by X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray spectroscopy, whereas the electrical conductivity , ultraviolet–visible absorption spectroscopy , and infrared emissivity at 3–5 μm were measured as well. Moreover, the effects of Cu 2+ doping concentration on the microstructure, morphology, bandgap, conductivity, and infrared emissivity of Cu-doped CeO 2 powders were systematically studied. The effects of Cu 2+ doping on infrared reflection and absorption in a 3–5 μm band and their mechanisms were explained based on electromagnetic theory, lattice vibration absorption, and free carrier absorption . Our result indicated that the emissivity of 1% Cu-doped powder reached the lowest emissivity of 0.200 at 800 °C. When the doping concentration was above 1%, the curve of infrared emissivity versus temperature exhibited a “U” shape, with the minimum point shifting towards the low-temperature region with the increase of Cu doping amount. This phenomenon was attributed to the different enhancement amplitude of reflectivity and absorbance of CeO 2 powder by Cu 2+ at different temperatures.
研究领域:
材料科学
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光学
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DOI
高影响因子
Advanced Optical Materials
·
2021
·Vol. 10
·期 4
·2102041
·
IF 9.926
Yangyi Zhang,Songyang Yuan,Yaxuan Yuan,Yunkai Bao,Qing Ran,Enming Liu,Jiandong Fan,Wenzhe Li
Organic–inorganic hybrid metal halide perovskites have played an important role in optoelectronic and photonic community owing to their remarkably high photoluminescence quantum yields and color tunability with ultrafast emission performance. Herein, two kinds of novel perovskite single crystals, i.e., TpyInCl 3 and TpyInCl 5 , grown by means of a solution-processed hydrothermal method are innovatively designed. Regulating the polarity of the precursor solution allows to fine-tune the light emission from pink to blue with an extremely short photoluminescence lifetime of 2.5 ns. The density functional theory calculations reveal that the unique luminescence characteristics are associated with the contribution of the terpyridine π–π* transition and the exciton quenching in the inorganic framework, that is, InCl 3 /[In 2 Cl 10 ] 4− , wherein the reduction of the recombination path and the increase of exciton quenching can effectively increase the luminous intensity. The current study provides a new paradigm toward designing multifunctional perovskite materials with tunable structure and electron dimension in emitter devices.
研究领域:
光电子学
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光物理
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材料科学
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钙钛矿材料
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发光材料
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DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2019
·
IF 3.206
Mengling Lin,Yingjie Guo,Zhiyong Liang,Xuesong Zhao,Jianan Chen,Yilin Wang
Biothiols, generally including glutathione (GSH), cysteine (CySH), and homocysteine (HcySH), are important biomarkers and closely related to many diseases. In this work, a simple method for the spectrophotometric determination of the three biothiols was developed. The proposed method was based on the fact that Fe 3+ could oxidize 3, 3′, 5, 5′-tetramethylbenzidine (TMB) to oxidized TMB (ox-TMB) and induce a blue color solution corresponding to an absorption peak centered at 652 nm. However, the introduction of a biothiol compound could cause the reduction of ox-TMB which resulted in a blue color fading and a decrease of the absorbance. Based on this finding, we developed a method for the determination of biothiols with the help of UV–vis spectroscopy, and the influence of different factors including pH, temperature, and incubation time was studied when glutathione worked as an example. The detection limits for GSH, CySH, and HcySH were 1.04, 0.82, and 2.09 μM, respectively. More importantly, the suggested method was successfully applied for the determination of GSH in human serum samples with the recovery of 97%–112%. This method is simple, fast and without the use of complicated nanomaterials .
研究领域:
分析化学
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医学
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生物学
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高影响因子
JOURNAL OF SOLID STATE CHEMISTRY
·
2020
·
IF 2.726
Yang Yunxia,Xia Shiying,Zhang Haixia,Niu Huihui,Dong Wenjing,Wu Xiangxiang
Two kinds of new complexes based on 3, 5-bis (triazol-1-yl) benzoic acid (HL) and 1, 3, 5-benzenetricarboxylic acid (H 3 bta), {[Zn 2 (μ 4 -L)(μ 3 -bta(3H 2 O)]∙H 2 O}n( 1 ) and {[Cd 2 (μ 4 -L)(μ 3 -bta(3H 2 O)]∙4H 2 O}n( 2 ), were prepared by solvothermal reactions and the structures were characterized by single-crystal X-ray diffraction. The experimental results showed that complexes 1 and 2 were isomorphic, in which metal ions were separately chelated with the ligands to form one mononuclear Cd 1 and another binuclear Cd 2 O 4 structure. Each metal center (M) can be considered as a three-connection, each M 2 O 4 as a six-connection, and the ligands of HL and H 3 bta can be used as three-junctions. Finally, complex 1 and 2 showed a (3, 6)-connection of {6 3 } 6 {6 6 ;8 6 ;10 2 ;12} topology. Solid-state fluorescence experiments showed that only complex 1 could selectively identify Fe 3+ (detection limit: 0.11 mM) and Cr 6+ (detection limit: 0.1 mM) in aqueous solution by a fluorescence quenching mechanism and the fluorescence quenching constant of Fe 3+ reached 10 4 . Dye adsorption experiments showed that the complexes could absorb different organic dyes and the adsorption capacity was 1 > 2 . Furthermore, the adsorption efficiency of 1 for methylene blue was as high as 97.64%.
研究领域:
化学
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材料科学
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环境科学
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高影响因子
RESEARCH ON CHEMICAL INTERMEDIATES
·
2022
·Vol. 48
·期 3
·983-1001
·
IF 3.134
Zhang Dawei,Ren Lu,Liu Ailing,Zhang Yumin,Lv Yang,Gu Qiang
Abstract An efficient synthesis of 1,3,5-trisubstituted-1 H -pyrazoles was developed via cyclocondensation in 78–92% yields starting from α , β -unsaturated aldehydes/ketones with substituted phenylhydrazine using vitamin B 1 as a catalyst, and was characterized by HR-MS, FT-IR, 1 H NMR and 13 C NMR spectroscopy. The reaction has simple operation, metal-free catalysis, acid or base free catalysis. As a green catalyst, vitamin B 1 was found to possess favorable catalytic activity and reusability for the condensation reaction. 1,3,5-trisubstituted-1 H -pyrazole shows from orange-red to cyan in different solvents when the electron withdrawing group is attached to acetophenone (taking compound 5i as an example). Compound 5i as a metal ion fluorescent probe has excellent selectivity for Ag + detection. The crystal structure of the compound 3-(4-chlorophenyl)-1,5-diphenyl-4,5-dihydro-1 H -pyrazole ( 5b ) in the orthorhombic space group Pca 21 was presented and formed racemic crystals. Graphical abstract
研究领域:
有机化学
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材料科学
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分析化学
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DOI
高影响因子
Advanced Science Letters
·
2013
·Vol. 19
·期 4
·1226-1228
·
IF 0
Chao Guoku,Shao Lianping,Yao Shuai,Hong Liming,Li Dashuai,Xiong Jing
7 Aza-Michael adducts, 3-(5-substituted-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid ethyl esters were synthesized by 5-subtituted uracils and ethyl acrylate with ammonia as a catalyst. It was significant that the synthetic compounds were collected in almost quantitive yields
without column chromatography. The structures of the compounds were determined by NMR, mass spectra, X-ray crystallography analyses and elemental analyses.
研究领域:
有机化学
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药物化学
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杂环化学
·
合成方法学
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DOI
危险品化学品经营许可证（带存储）