WATER RESEARCH
·
2024
·
IF 11.4
Pengfei Yu,Zhongyu Guo,Jieqiong Wang,Yuchen Guo,Tingting Wang,Lilan Zhang
Methylisothiazolinone (MIT) and Benzisothiazolinone (BIT) are two widely used non-oxidizing biocides of isothiazolinones. Their production and usage volume have sharply increased since the pandemic of COVID-19, inevitably leading to more release into water environment. However, their photochemical behaviors in water environment are still unclear. Therefore, this study investigated photodegradation properties of MIT and BIT in natural water under simulated sunlight. The results demonstrated that direct photolysis was mainly responsible for their photodegradation which occurred through their excited singlet states rather than triplet states. The quantum yields of MIT and BIT photodegradation were 11 - 13.6 × 10 −4 and 2.43 - 5.79 × 10 −4 , respectively. pH had almost no effect on the photodegradation of MIT, while the photodegradation of BIT was significantly promoted under alkaline condition due to abundance of BIT in its deprotonated form (BIT- N − ). Cl − , NO 3 − and dissolved organic matter (DOM) in natural water inhibited the photodegradation of both MIT and BIT, with the light screening effect of DOM being the most significantly inhibitory factor. The addition of other isothiazolinones, which possibly coexisted with MIT and BIT in actual condition, slightly inhibited the photodegradation of MIT and BIT. The estimated half-life under natural sunlight at a 30°N latitude was estimated to be approximately 1.1 days. The photodegradation pathways of MIT and BIT are similar, primarily initiated from the ring-opening at the N-S bond, with Frontier electron densities (FED) calculations suggesting the likelihood of oxidation and ·OH addition reactions at the O, N, and S sites. While the photodegradation products exhibited significantly reduced acute toxicity compared to their parent compounds, they nonetheless posed substantial chronic toxicity. These insights are vital for assessing the ecological impacts of MIT and BIT in aquatic environments.
研究领域:
环境科学
·
生态学
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产品关联
DOI
PubMed
高影响因子
ACS Applied Materials & Interfaces
·
2023
·
IF 9.5
Xuyi Li,Chen Huang,Yu Fan,Zhiang Bai,Bao-Li An,Jiaqiang Xu,Weiwei Zheng,Yue-Ling Bai
A new strategy is developed herein to improve the solid fluorescence of thiazolothiazole viologen by using the ZnCl42– cluster as a scaffold to hinder π-stacking. Importantly, the Cl···H bonds are formed in the solid state to sustain the framework and can be automatically dissociated when dissolved in H2O, thus having no impact on the strong emission in aqueous solution. As such, the first case of organic–inorganic viologen–zinc halide named 4PV·ZnCl4 was designed and synthesized, and a significant increase in photoluminescence quantum yield (ΦF) is realized from 4PV·2Br (ΦF = 0%) to 4PV·ZnCl4 (ΦF = 27.0%) in solid and from 97% to 98% in H2O. 4PV·ZnCl4 also displays pH stimuli-responsive naked-eye chromic behavior and photoluminescence with different coloring states and intensities. The multifunctional performance of 4PV·ZnCl4 provides a prerequisite for carrying different information, expanding their promising application in multilevel information encryption.
研究领域:
化学
·
材料科学
·
光学
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产品关联
DOI
PubMed
高影响因子
ARCHIV DER PHARMAZIE
·
2023
·Vol. 356
·期 8
·2300110
·
IF 5.1
Jun-Da Qi,Yu-Qing Meng,Jingxin Sun,Wan-Xin Li,Hou-Xiang Zhai,Changhao Zhang,Jishan Quan,Cheng-Hua Jin
Four series of novel pyrazole derivatives (compounds 17a – m, 18a – m, 19a – g , and 20a – g ) were synthesized, and their antibacterial and antifungal activities were evaluated. Most of the target compounds ( 17a – m, 18k – m , and 19b – g ) showed strong antifungal activity and high selectivity relative to both Gram-positive and Gram-negative bacteria. Among them, compounds 17l (minimum inhibitory concentration [MIC] = 0.25 µg/mL) and 17m (MIC = 0.25 µg/mL) showed the strongest antifungal activity, being 2- and 4-fold more active than the positive controls gatifloxacin and fluconazole, respectively. In particular, compound 17l showed little cytotoxicity against human LO2 cells and did not exhibit hemolysis at ultrahigh concentrations, as did the positive control compounds gatifloxacin and fluconazole. These results indicate that these compounds are valuable for further development as antifungal agents.
研究领域:
药物化学
·
药理学
·
微生物学
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DOI
PubMed
高影响因子
CHEMISTRY & BIODIVERSITY
·
2024
·
IF 2.3
Liu Yang,Yu-Xin Jiao,Yan-Hua Quan,Ming-Yu Li,Xin-Yi Huang,Jun-Zheng Jin,Siqi Li,Ji-Shan Quan,Cheng-Hua Jin
Four series of novel pyridine derivatives ( 17 a – i , 18 a – i , 19 a – e , and 20 a – e ) were synthesized and their antimicrobial activities were evaluated. Of all the target compounds, almost half target compounds showed moderate or high antibacterial activity. The 4-F substituted compound 17 d (MIC=0.5 μg/mL) showed the highest antibacterial activity, its activity was twice the positive control compound gatifloxacin (MIC=1.0 μg/mL). For fungus ATCC 9763, the activities of compounds 17 a and 17 d are equivalent to the positive control compound fluconazole (MIC=8 μg/mL). Furthermore, compounds 17 a and 17 d showed little cytotoxicity to human LO2 cells, and did not show hemolysis even at ultra-high concentration (200 μM). The results indicate that these compounds are valuable for further development as antibacterial and antifungal agents. Graphical
研究领域:
药物化学
·
微生物学
·
药理学
✓ 已验证
DOI
PubMed
高影响因子
Polymers
·
2017
·Vol. 10
·期 1
·23
·
IF 3.364
Yan Zhang,Lingqian Kong,Xiuping Ju,Jinsheng Zhao
Two new donor–acceptor type electrochromic copolymers containing non-fluorinated and di-fluorinated benzothiadiazole analogues, namely P(TBT-TBTh) and P(TBT-F-TBTh), were synthesized successfully through chemical polymerization. Both polymers were measured by cyclic voltammetry, UV-vis spectroscopy, colorimetry and thermogravimetric analysis to study the influence of fluoro substitution on the electrochromic performance. The results demonstrated that the two polymer films displayed well-defined redox peaks in pairs during the p-type doping, and showed distinct color change from dark gray blue to light green for P(TBT-TBTh) with the band gap of 1.51 eV, and from gray blue to celandine green for P(TBT-F-TBTh) with the band gap of 1.58 eV. P(TBT-F-TBTh) presented lower highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels, and better stability than P(TBT-TBTh). It was found that the two fluorine atoms participated in not only inductive effects but also mesomeric effects in the P(TBT-F-TBTh) backbone. In addition, the polymers exhibited high optical contrasts, short response time, and favorable coloration efficiency, especially in the near infrared region. The characterization results indicated that the two reported polymers can be the potential choice as electrochromic materials.Keywords:electrochromism;donor–acceptor type polymers;benzotriazole;benzothiadiazole;fluorination
研究领域:
材料科学
·
化学
✓ 已验证
DOI
PubMed
高影响因子
Polymers
·
2018
·Vol. 10
·期 4
·450
·
IF 2.935
Jianzhong Xu,Qi Ji,Lingqian Kong,Hongmei Du,Xiuping Ju,Jinsheng Zhao
A series of π-conjugated polymers containing alternating benzoselenadiazole (BSe)-bi(thiophene derivative)-carbazole or benzoththiadiazole (BSe)-bi(thiophene derivative)-fluorene units were designed and synthesized. Thiophene derivatives, namely 3-hexylthiophene, 3,4-bihexyloxythiophene, and 3,4-bioctyloxythiophene, were used as the π-bridges of the polymers. The polymers were characterized in detail in terms of their thermal stabilities, cyclic voltammograms, UV-Vis absorption, spectroelectrochemistry, dynamic switching property and so forth. The alkoxy thiophene π-bridged polymers have lower onset oxidation potentials and bandgaps than that of their corresponding alkyl thiophene π-bridged polymers. The selection of the donor units between the carbazole and the fluorene units has nearly no effect on the bandgaps and colors as well as the onset oxidation potentials of the polymers. The increase in the length of the side alkyl chains on the thiophene ring caused a slight increase in the polymer bandgap, which may be caused by the space hindrance effect. The dynamic switching abilities of the polymers were obtained by the chronoabsorptometry method, and the results also suggested that the alkoxy thiophene-containing polymers (as π-bridges) have higher contrast ratios than the corresponding alkyl thiophene-containing polymers. Furthermore, the increase in the length of the side alkyl chain might have a detrimental effect on the optical contrast ratios of the polymers.Keywords:benzoselenadiazole;carbazole;fluorene;conjugated polymer;electrochromic;solution processable
研究领域:
材料科学
·
化学
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产品关联
DOI
PubMed
高影响因子
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
·
2018
·Vol. 34
·期 2
·197-202
·
IF 1.248
Li Jing,Liu Hongwei,Meng Fanyu,Yan Liuqing,Shi Yanpeng,Zhang Yumin,Gu Qiang
A comparison synthesis of 1,2,3-triazoles bearing isoxazole ether was developed between conventional and microwave-assisted heating. Single/double 1,2,3-triazoles bearing isoxazole ether were synthesized by click reaction starting from substituted isoxazolyl alkyne compounds and substituted benzyl azide compounds or neopen-tylglycol diazide in the presence of copper(I) that in-situ generated. Herein, the effect of different catalysts on the yield was researched by conventional method, and the optimal catalyst was selected. The structures of all the synthe-sized compounds were confirmed by MS, FTIR, 1 H and 13 C NMR spectroscopies. Moreover, the crystal structure of 5-{[(1-benzyl-1 H -1,2,3-triazol-4-yl)methoxy]methyl}-3-(4-fluorophenyl)isoxazole( 2 h) was determined.
研究领域:
有机化学
·
药物化学
✓ 已验证
DOI
高影响因子
ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING
·
2022
·Vol. 47
·期 6
·7123-7134
·
IF 2.807
Wang Pengjie,Xiong Liping,He Zhongyi,Xu Xin,Hu Jianqiang,Chen Qi,Zhang Renhui,Pu Jibin,Guo Lei
The corrosion inhibition effect and synergistic mechanism of novel imidazoline derivative (SMIF) and benzimidazole (BMZ) in 3.5 wt% simulated concrete solution were studied experimentally and theoretically. The complex inhibitors have the most outstanding inhibition efficiency when SMIF concentration is 0.1 g/L and BMZ is 0.9 g/L, the corrosion inhibition efficiencies of weight loss, Electrochemical Impedance Spectroscopy and Potentiodynamic polarization curve (Tafel) were 88.81%, 86.27% and 90.22%, respectively. Electrochemistry analysis results proved that the corrosion inhibition mechanism of the inhibitors in the corrosion solution was mainly the formation of a protective film on the surface of carbon steel. FT-IR, Energy Dispersive Spectroscopy and X-ray Photoelectron Spectroscopy all proved the existence of the protective film. Molecular dynamics proved that the composite inhibitor molecules could be stable on the surface of carbon steel and when consist of complex inhibitor was 0.1 g/L SMIF and 0.9 g/L BMZ the stable adsorption morphology were the highest. This work confirmed that SMIF and BMZ inhibitors have a good synergistic effect, greatly improving the inhibition efficiency and reducing the cost of corrosion inhibition, and has a certain guiding significance for synergistic inhibition.
研究领域:
材料科学
·
电化学
·
表面科学
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DOI
高影响因子
CORROSION SCIENCE
·
2023
·
IF 8.3
Xiao-Ze Ma,Guang-Yi Cai,Xiang-Kang Cao,Xin-Xin Zhang,Ling-Dong Meng,Ze-Hua Dong
Synergistic implementation of corrosion inhibitors is an efficient and economic method for metal protection. The adsorption dynamics and inhibition behavior of 2-phenyl imidazoline (2-PI) and benzotriazole (BTA) are investigated in atmospheric and aqueous environments by electrochemical and quartz crystal microbalance sensors. Moreover, their synergistic mechanisms are illustrated from molecule scales by theoretical calculations. Electrochemical tests show that 2-PI and BTA exhibit promising synergistic effects on the corrosion of copper with inhibition efficiency up to 99.1% in 0.1 mol/L NaCl solution and 94.1% in the atmosphere, respectively. In addition, the adsorption kinetics of inhibitors on copper obey a pseudo-first-order kinetic model characteristic of exponential damping. Quantum chemical and molecule dynamic calculations also suggest that there exists an intermolecular interaction between 2-PI and BTA molecules in a parallel adsorption manner when they are co-adsorbed on the surface of copper.
研究领域:
材料科学
·
电化学
·
理论计算
✓ 已验证
产品关联
DOI
高影响因子
International Journal of Electrochemical Science
·
2023
·
IF 1.5
Shaowen Pei,Xiuping Ju,Jinsheng Zhao,Hongmei Du
Two random copolymers, poly (benzotriazole-indacenodithiophene-benzothiadiazole) (PBTIDBD) and poly (benzotriazole-benzodithiophene-benzothiadiazole) (PBTBDBD) were synthesized and characterized by electrochemistry, spectroelectrochemistry, electrochromic switching, colorimetry and thermal gravimetric analysis. For PBTIDBD, the color of film changed from rosybrown in neutral state to transparent lightgrey in oxidized state. The band gap calculated according to the spectroelectrochemistry data is 1.86 eV, and the response time, optical contrast, coloration efficiency at 1560 nm are 1.04 s, 62.1%, 276.29 cm 2 ∙C -1 , respectively. And, for PBTBDBD, its color changes from rosybrown to transparent grey as it was fully oxidized. The band gap is 1.68 eV, and the response time, optical contrast, coloration efficiency at 1560 nm are 2.68 s, 62.4%, 193.31 cm 2 ∙C -1 , respectively. Both copolymers are stable at a high temperature, and the decomposition temperature of PBTIDBD and PBTBDBD are 463 °C and 326 °C. Both copolymers can be good candidates for electrochromic application.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
高影响因子
MOLECULES
·
2023
·Vol. 29
·期 1
·163
·
IF 4.6
Siwei Wang,Yanping Liu,Manshan Zhu
The present study describes the development of a highly effective approach for determining the residue distribution and dissipation of trifloxystrobin and tebuconazole, and their risk assessment in brown rice, husk, straw, and grain using high-performance liquid chromatography–tandem mass spectrometry (HPLC-MS/MS). The current study provides considerable novel information regarding the safe utilization of a mixture of trifloxystrobin and tebuconazole in paddy production. The samples demonstrated a range of mean recoveries between 72% and 86%, with a 1.1–9.2% relative standard deviation (RSD). The limits of quantification (LOQ) and half-lives (t1/2) for brown rice, husk, straw, and grain were, respectively, established to be 0.001–0.01 mg/kg and 4.1–7.7 days. The concentrations of terminal residues in the brown rice, husk, straw, and grain were, respectively, found to be 0.02–0.05, 0.03–0.11, 0.02–0.07, and 0.02–0.05 mg/kg after being treated twice at 168.75 g a.i./ha with 21 and 28 days of pre-harvest intervals (PHIs). Trifloxystrobin and tebuconazole presented a non-negligible chronic risk to human subjects, as evidenced by a risk quotient (RQ) value of less than 1.Keywords:trifloxystrobin and tebuconazole;paddy;residue distribution;risk assessment;dissipation dynamics
研究领域:
农业科学
·
食品安全
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CHEMISTRY & BIODIVERSITY
·
2023
·Vol. 20
·期 5
·e202300105
·
IF 2.9
Wen-Bo Xu,Yu-Qing Meng,Jingxin Sun,Yu-Xuan Yang,Wan-Xin Li,Man-Yu Wang,Ming-Guan Piao,Siqi Li,Jishan Quan,Cheng-Hua Jin
A series of 2-cyclopropyl-5-(5-(6-methylpyridin-2-yl)-2-substituted-1 H -imidazol-4-yl)-6-phenylimidazo[2,1- b ][1,3,4]thiadiazoles ( 15a – t and 16a – f ) were synthesized and their antibacterial activities were evaluated. More than half of the compounds showed moderate or strong antibacterial activity. Among them, compounds 15t (MIC=1–2 μg/mL) and 16d (MIC=0.5 μg/mL) showed the strongest antibacterial activities. Notably, compound 16d did not exhibit cytotoxicity in HepG2 cells and did not show hemolysis like the positive control compound Gatifloxacin. The results suggest that compound 16d should be further investigated as a candidate antibacterial agent. Graphical
研究领域:
药物化学
·
微生物学
·
药理学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）