CHINESE JOURNAL OF CHEMICAL PHYSICS
·
2022
·Vol. 35
·期 5
·747-753
·
IF 1.09
Li Xiuhua,Wang Xueli,Lv Meng,Zhou Zhongneng,Pan Haifeng,Chen Jinquan
1,3,5-Triazine molecules represent a class of molecules that may have been prebiotic information carriers in a primordial soup in early Earth and their excited state dynamics has received attention in recent years. In our previous study, one component with lifetime longer than 100 ps was discovered in 2-amino-1,3,5-trainzine (2-AT), but its nature has not been revealed. In this study, excited state dynamics of 2-AT is studied in different solvents by using femtosecond time-resolved transient absorption and fluorescence up-conversion spectroscopy. Interestingly, an equilibrium state consisting of the bright ππ ∗ and dark n π ∗ states in 2-AT is directly observed in aqueous solution and its dynamics is solvent sensitive. The whole picture of the excited state deactivation mechanism of 2-AT is proposed based on our spectroscopy results.
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CATALYSIS COMMUNICATIONS
·
2008
·
IF 2.394
Yunlai Ren,Zhifei Liu,Shuang Zhao,Xinzhe Tian,Jianji Wang,Weiping Yin,Shebin He
Commercially available and inexpensive ethylenediamine/Cu(OAc) 2 · H 2 O has been found to be a highly effective catalyst system for the cyanation of aryl bromides in the solvent of NMP. At the same time, the highly activated aryl chlorides with NO 2 groups gave corresponding benzonitriles in good yields. Similar to the previous observation, it is not necessary to use an excess of K 4 [Fe(CN) 6 ] in the cyanation reaction (only 20 mol% of K 4 [Fe(CN) 6 ] was used). In other hand, a more remarkable KI-accelerated effect was observed for the cyanation reaction: the addition of KI increased the yield from 6% to 91% in the cyanation of bromobenzene.
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MOLECULES
·
2016
·Vol. 22
·期 1
·64
·
IF 2.465
Shihu Su,Xia Zhou,Guoping Liao,Puying Qi,Linhong Jin
Sulfones are one of the most important classes of agricultural fungicides. To discover new lead compounds with high antibacterial activity, a series of new sulfone derivatives were designed and synthesized by introducing the aroxymethyl moiety into the scaffold of 1,3,4-oxadiazole/thiadiazole sulfones. Antibacterial activities against three phytopathogens (Xanthomonas oryzae pv. oryzae,Ralstonia solanacearum,Xanthomonas axonopodis pv. citri.) were assayed in vitro. As compared to the control of commercial fungicides and some reported sulfone fungicides, seven compounds5I-1–5I-7exerted remarkably higher activities with EC50values ranging from 0.45–1.86 μg/mL againstX. oryzaeand 1.97–20.15 μg/mL againstR. solanacearum. Exhilaratingly,5I-1,5I-2and5I-4displayed significant in vivo activity againstX. oryzaewith protective effect of 90.4%, 77.7%, and 81.1% at 200 μg/mL, respectively, much higher than that exhibited by Bismerthiazol (25.6%) and Thiadiazole-copper (32.0%). And the differential phytotoxicity of active derivatives was preliminarily checked. The results demonstrated that derivative of 2-aroxymethyl-1,3,4-oxadiazole/thiadiazole sulfone can serve as potential alternative bactericides for the management of plant bacterial diseases.Keywords:synthesis;1,3,4-oxadiazole/thiadiazole sulfone;aryloxymethyl;antibacterial activity;structure-activity relationship
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JOURNAL OF NANOPARTICLE RESEARCH
·
2020
·Vol. 22
·期 2
·1-12
·
IF 2.132
Sun Xueying,Li Siqi,Liu Rongmei,Sun Xiulun,Liu Xinjie,Li Anran,Li Wen
In this work, we designed a simple hydrothermal synthetic method for a ZnCo-PBA@α-Co(OH) 2 nanosphere@nanosheet material with good electrochemical properties. The obtained material had a specific capacitance of 423.92 F g −1 at 1 A g −1 and a cycling retention ratio of 78.48% after 1000 cycles at 5 A g −1 . A hybrid supercapacitor device (ZnCo-PBA@α-Co(OH) 2 //AC) assembled with activated carbon as the negative electrode had a specific capacitance of 122.4 F g −1 at 1 A g −1 , a cycling retention rate of 73.53% after 5000 cycles at 5 A g −1 , and a very high energy density of 49.13 Wh kg −1 at power density of 1734.0 W kg −1 . The significantly improved electrochemical performance of the ZnCo-PBA@α-Co(OH) 2 nanocomposites can be attributed to the positive synergistic effects of the porous structure of the PBA material and the large specific surface area of the α-Co(OH) 2 nanosheets, on the ion permeability and number of active sites in the reinforcing material; thus, this composite is a potential material for use in future energy storage systems.
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JOURNAL OF PROSTHETIC DENTISTRY
·
2022
·
IF 4.148
Hao Yang,Xianju Xie,Xiaowei Li,Yuxing Bai
Statement of problem Polymethyl methacrylate (PMMA) is commonly used in dentistry, including as a denture base material. However, the colonization of a PMMA surface by microbial microorganisms could increase the risk of oral diseases such as denture stomatitis and gingivitis. The development of PMMA with antibacterial properties should improve its clinical application, but whether adding ε-poly-L-lysine (ε-PL) and 2-methacryloyloxyethyl phosphorylcholine (MPC) provides antimicrobial effects is unclear. Purpose This in vitro study aimed to develop a novel antibacterial PMMA resin containing the natural nontoxic antibacterial agent ε-PL and the protein repellent agent MPC. The mechanical properties, protein repellency, and antimicrobial activities of the resin were then evaluated. Material and methods Different mass fractions of ε-PL and MPC were mixed into PMMA as the experimental groups, with unaltered PMMA as the control group. The flexural strength (n=10) and surface roughness (n=6) of the resulting mixtures were measured to determine their mechanical properties. The antiprotein properties were measured by using the micro bicinchoninic acid method (n=6). The antimicrobial effect of the resin was assessed using live/dead staining (n=6) and methyltransferase (MTT) assays (n=10). According to the variance homogeneity and normal distribution results, 1-way analysis of variance followed by the Tukey honestly significant difference test or the Welch test and the Games-Howell test were used (α=.05 for all tests). Results No significant differences were found in the flexural strength values and surface roughness of the specimens containing 1.5% MPC and 1.5% ε-PL compared with those of the control ( P >.05). The addition of ε-PL to the PMMA resin alone significantly increased its bactericidal properties ( P <.05). Adding both ε-PL and MPC further increased the antibacterial activity of the PMMA resin without increasing protein adhesion more than in the control group. Conclusions The incorporation of both ε-PL and MPC into PMMA improved its antibacterial capacity without affecting its mechanical properties and did not increase protein adhesion. Therefore, the novel PMMA fabricated in this study shows promise for dental applications.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2023
·
IF 6.1
Li-Xia Zhao,Wei Hu,Zi-Bin Jiang,Jia-Yu Wang,Kui Wang,Shuang Gao,Ying Fu,Fei Ye
4-Hydroxyphenylpyruvate dioxygenase inhibitors (Echinochloa crus-galli 1.13.11.27, HPPD) have gained significant popularity as one of the best-selling herbicides worldwide. To identify highly effective HPPD inhibitors, a rational design approach utilizing bioisosterism was employed to create a series of 2-(arylformyl)cyclohexane-1,3-dione derivatives. A total of 29 novel compounds were synthesized and characterized through various techniques, including IR, 1H NMR, 13C NMR, and HRMS. Evaluation of their inhibitory activity against Arabidopsis thaliana HPPD (AtHPPD) revealed that certain derivatives exhibited superior potency compared to mesotrione (IC50 = 0.204 μM). Initial herbicidal activity tests demonstrated that compounds 27 and 28 were comparable to mesotrione in terms of weed control and crop safety, with compound 28 exhibiting enhanced safety in canola crops. Molecular docking analyses indicated that the quinoline rings of compounds 27 and 28 formed more stable π–π interactions with the amino acid residues Phe-360 and Phe-403 in the active cavity of AtHPPD, surpassing the benzene ring of mesotrione. Molecular dynamics simulations and molecular structure comparisons confirmed the robust binding capabilities of compounds 27 and 28 to AtHPPD. This study provides a valuable reference for the development of novel triketone herbicide structures, serving as a blueprint for future advancements in this field.
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DALTON TRANSACTIONS
·
2023
·Vol. 52
·期 31
·10918-10926
·
IF 4
Yu Zhang,Xia Liu,Qian-Yan Liu,Jian-Hua Wang,Ting Hu,Yan-Mei Lin,Jian-Han Zhang
Two novel alkaline-earth zincophosphites, namely CaZn(HPO3)2 and Ba2Zn(HPO3)3, were successfully synthesized under hydrothermal conditions. CaZn(HPO3)2 exhibits a three-dimensional (3D) anionic framework with a 6-connected uni-nodal pcu α-Po primitive cubic topology, constructed by unique Zn2O8 dimers and HPO3 pseudo-tetrahedra, while Ba2Zn(HPO3)3 displays one-dimensional (1D) [Zn(HPO3)3]4− anionic chains. It is worth mentioning that CaZn(HPO3)2 represents the first example of an alkaline-earth zincophosphite compound with a 3D framework structure. Our research also revealed the importance of both alkaline earth cation sizes and Zn/P ratios in anionic open-framework formation. The crystal structures of both compounds were further verified by energy dispersive spectroscopy, IR spectroscopy and Raman spectroscopy. Optical diffuse reflectance spectra, coupled with Tauc's fitting, revealed direct bandgaps with energy values of 4.33 and 4.48 eV for CaZn(HPO3)2 and Ba2Zn(HPO3)3, respectively, which differ from the prediction of theoretical calculations. Density of states calculations were conducted to reveal the origin of the bandgaps and bond interactions. Both compounds exhibited moderate birefringence values. This work may have implications for the design and synthesis of novel metal phosphites with desired properties.
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OncoTargets and Therapy
·
2023
·
IF 4
Liji Jiang,Gang Xu,Zihuang Li,Xiaowei Zeng,Zhuangling Li,Jingwen Liu,Lin Mei,Xianming Li
Although radiotherapy remains the most powerful as well as the primary treatment modality for nasopharyngeal carcinoma (NPC), approximately 20% of NPC patients still have local recurrence. Carbonic anhydrase IX (CAIX)-related signaling pathways that mediate radioresistance have been found in various kinds of cancer. However, the role of CAIX in NPC radioresistance is still unknown. In this study, we investigated the effect of CAIX silencing on sensitization to ionizing radiation in NPC by using Lipofectamine 2000, which delivers small interfering ribonucleic acid (siRNA) that targets CAIX. Results showed that Lipofectamine 2000 effectively delivered siRNA into the CNE-2 cells, which resulted in the decrease of CAIX expression and cell viability, decrease in cell proliferation and colony formation, and increase in the number of CNE-2 cells stuck in the G2/M phase of the cell cycle upon induction of ionizing radiation. Increased sensitivity of radiotherapy in CNE-2 cells under hypoxic conditions was correlated with the suppression of CAIX. Cells treated with irradiation in addition to CAIX-siRNA1 demonstrated reduced radiobiological parameters (survival fraction at 2 Gy [SF2]) compared with those treated with irradiation only, with a sensitization-enhancing ratio of 1.47. These findings suggest that CAIX can be a promising therapeutic target for the treatment of radioresistant human NPC.
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Scientific Reports
·
2017
·Vol. 7
·期 1
·1-14
·
IF 4.259
Lu Jian,Shao Yanjiao,Qin Xuan,Liu Daozhi,Chen Ang,Li Dali,Liu Mingyao,Wang Xin
Cytochrome P450 (CYP) 3A accounts for nearly 30% of the total CYP enzymes in the human liver and participates in the metabolism of over 50% of clinical drugs. Moreover, CYP3A plays an important role in chemical metabolism, toxicity, and carcinogenicity. New animal models are needed to investigate CYP3A functions, especially for drug metabolism. In this report, Cyp3a1/2 double knockout (KO) rats were generated by CRISPR-Cas9 technology, and then were characterized for viability and physiological status. The Cyp3a1/2 double KO rats were viable and fertile, and had no obvious physiological abnormities. Compared with the wild-type (WT) rat, Cyp3a1/2 expression was completely absent in the liver of the KO rat. In vitro and in vivo metabolic studies of the CYP3A1/2 substrates indicated that CYP3A1/2 was functionally inactive in double KO rats. The Cyp3a1/2 double KO rat model was successfully generated and characterized. The Cyp3a1/2 KO rats are a novel rodent animal model that will be a powerful tool for the study of the physiological and pharmacological roles of CYP3A, especially in drug and chemical metabolism in vivo .
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MATERIALS LETTERS
·
2012
·
IF 2.307
Chang Gao,Yurong Cai,Xiangdong Kong,Guoxiang Han,Juming Yao
The injectable chitosan/β-glycerophosphate (CS/GP) hydrogels were prepared with dexamethasone (Dex)/recombinant human bone morphogenetic protein (rhBMP-2) loaded hydroxyapatite nanoparticles (nHAP). The obtained samples were characterized by TEM, SEM, XRD and nitrogen adsorption tests, and the effect of Dex and rhBMP-2 on the mesenchymal stem cells (MSCs) was evaluated. The results showed that nHAP could be dispersed homogeneously in the matrix of injectable CS/GP hydrogels and the combination of Dex and rhBMP-2 could promote the proliferation and osteoblastic differentiation of MSCs, indicating that the prepared injectable CS/GP hydrogels with Dex and rhBMP-2 loaded nHAP have great potential in different orthopedic regenerative applications.
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NEW JOURNAL OF CHEMISTRY
·
2020
·Vol. 44
·期 34
·14389-14400
·
IF 3.288
Wenyi Yu,Qianwei Liang,Yuwei Yin,Junjie Geng,Wei Chen,Xuanyi Tan,Hanjin Luo
Arsenite (As(III)) is more toxic and more difficult to remove from water than arsenate (As(V)). A new nano core–shell-structured K-OMS-2@UiO-66 (K-OMS-2, formula KMn8O16·nH2O) was fabricated via a facile one-step oxidation–coprecipitation method for enhanced As(III) removal. Results showed that the maximal adsorption capacity of As(III) achieved was 180.10 mg g−1. The as-synthesized K-OMS-2@UiO-66 adsorbent functions excellently across a broad pH range of 1.5 to 10.0, and the residual concentrations of As(III) can drop under 10.0 μg L−1. Based on XPS and FTIR measurements, it is proposed that the removal mechanism was mainly controlled through a synergistic interaction of surface complexation and hydrogen bonding. As(III) was sorbed onto the surface of the sorbent by Zr–O bonds and Mn–O bonds. Mn(IV) and Mn(III) in K-OMS-2@UiO-66 effectively oxidized As(III) to As(V). Then, some negatively charged As(V) were adsorbed at the positive sites of the adsorbent through electrostatic attraction, while others formed bidentate complexes with the Zr–O bonds. This study develops an attractive sorbent for As(III) removal from contaminated water and has a facile and low-cost synthesis process, good As(III) sorption performance, and reusability.
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International Journal of Electrochemical Science
·
2023
·
IF 1.5
Qiongyu Zhang,Gang Liu,Lingbin Ou
This work reported an electrochemical method for the detection of SARS-CoV-2 major protease (Mpro). Specifically, ferrocene (Fc)-labeled peptide substrates were immobilized on the gold nanoparticles (AuNPs)-modified electrode. Cleavage of the peptides by Mpro led to the release of Fc tags and the decrease of the electrochemical signals. The analytical performance of the biosensor for analysis of Mpro was investigated. Inhibiting the activity of Mpro prevented the cleavage of the peptide substrates. The method was successfully used to evaluate the inhibition efficiency of a well-known inhibitor.
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