LIQUID CRYSTALS
·
2012
·
IF 1.858
Fafu Yang,Jianwei Xie,Hongyu Guo,Bingting Xu,Congcong Li
Series of novel 1,3,5-triazine-based triphenylene oligomers 7, 10 and 12 with large bridging polyaromatic core were designed and synthesised by simple procedures in high yields. Their structures were confirmed by FTIR, 1H NMR, ESI-MS and elemental analyses. Their mesomorphic behaviours were studied by differential scanning calorimetry, polarising optical microscopy and X-ray diffraction. 1,3,5-triazine-based triphenylene monomer 7 has no mesomorphic property, but 1,3,5-triazine-based triphenylene dimer 10 and 1,3,5-triazine-based triphenylene trimer 12 possess excellent mesomorphic properties. The mesomorphic temperature range of compound 12 was as wide as 180°C. These studies indicated that the mesomorphic properties were determined by the numbers of triphenylene units. More units of triphenylene in the oligomers resulted in better mesomorphic properties.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF PHYSICAL CHEMISTRY A
·
2017
·
IF 2.847
Zhongneng Zhou,Xueyao Zhou,Xueli Wang,Bin Jiang,Yongle Li,Jinquan Chen,Jianhua Xu
Excited state dynamics of 5-azacytosine (5-AC), 2,4-diamino-1,3,5-triazine (2,4-DT), and 2-amino-1,3,5-triazine (2-AT) were comprehensively investigated by steady state absorption, fluorescence, and femtosecond transient absorption measurements. Time-dependent density functional theory (TDDFT) calculations were performed to help assign the absorption bands and understand the excited state decay mechanisms. The experimental results of excited singlet state dynamics for 5-AC, 2,4-DT, and 2-AT with femtosecond time resolution were reported for the first time. Two distinct decay pathways, with ∼1 ps and tens of picosecond lifetimes, were observed in 5-AC. Only one decay pathway with 17 ps lifetime was observed in 2,4-DT while an emissive state was found in 2-AT. TDDFT calculations suggest that 5-AC has a dark nπ* (S1) state below the first allowed ππ* (S2) state, which leads to the ultrafast decay of the ππ* state. In 2,4-DT, there is no dark nπ* state below the bright ππ* (S1) state and the 17 ps lifetime is assigned to the relaxation from the ππ* (S1) state to ground state. Two dark nπ* states (S1 and S2) were found in 2-AT, which exhibits much more complex excited state dynamics compared with the other two. Photoluminescence in 2-AT has been confirmed to be fluorescence emission from its bright ππ* (S3) state. Our results strongly suggest that electronic structures are very sensitive to the substitution on the triazine ring and that the photophysical properties of nucleic acid analogues depend highly on their molecular structures.
研究领域:
物理化学
·
光化学
·
计算化学
·
分子光谱学
·
核酸类似物
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2019
·
IF 2.12
Qiang Liu,Peijun Cai,Xiangyu Wan,Shuai Zhang,Kai Du,Qiang Yin
Two neodymium β -diketonates metal-organic complexes, Nd(TTA) 3 TPTZ ( 1 ) and Nd(BFA) 3 TPTZ ( 2 ), have been synthesized by using two β -diketone ligands 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione (HTTA) and 4,4,4-trifluoro-1-phenyl-1,3-butanedione (HFBA), and a macrocyclic conjugate ligand, 2,4,6-tri(2-pyridyl)-1,3,5-triazine (TPTZ). The crystal structures of these two complexes were determined by single crystal X-ray diffraction. The X-ray diffraction analysis showed that each neodymium ion in the two complexes formed a Nine-Coordinated structure with six oxygen atoms of HTTA (or HBFA) ligands and three nitrogen atoms of TPTZ ligand by the characteristic of triclinic with P 1 ( — ) space group both. In the crystal structure of the two complexes, a very obvious aromatic donor-acceptor interaction can be observed between adjacent TPTZ ligand molecules, which play an important role in the formation of three-dimensional structures. The complexes were also characterized by infrared spectroscopy , elemental analysis, thermogravimetric and fluorescence spectra . Fluorescence analysis showed that the two complexes exhibited characteristic neodymium-centered emission due to the significant antenna effect of these ligands.
研究领域:
化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2017
·
IF 6.065
Yi He,Li Wang
Here we report a label-free method for visual colorimetric detection of hexahydro-1,3,5-trinitro-1,3,5-triazine (HTT) explosive based on base-driven sunlight oxidation of silver nanoprisms (AgNPRs). Under natural sunlight illumination, the surface plasmon of AgNPRs is excited, which populates O 2 antibonding orbitals to generate negative-ion state (O 2 − ). The resultant O 2 − with a strong oxidation activity can etch AgNPRs to smaller nanodisks with the aid of NaOH aqueous solution, leading to a blue shift of the absorption peak and color change from blue to pink. However, when HTT is introduced, the resultant O 2 − will be consumed by the nitrite and formaldehyde that are produced from the alkaline hydrolysis of HTT. Under this condition, the etching of AgNPRs does not occur, and the detection solution remains blue. This assay can sensitively detect as low as 1 nM HTT, a level which is three orders of magnitude lower than that of gold nanoparticle-based colorimetric assays (2.6 μM), and shows linearity in the range of 0.003–3.3 μM. The lowest detectable concentration with the naked eye is 0.1 μM. Additionally, the present assay exhibits good selectivity, and can be applied in the detection of HTT in natural water and soil samples with recoveries ranging from 90% to 100%.
研究领域:
分析化学
·
环境科学
·
材料科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
·
2023
·Vol. 59
·期 9
·1610-1619
·
IF 0.8
Dong Chang-E.,Li Rui,Pan Zai-Xiu,Li He,Qian Jing-Jing,Liu Wei-Wei,Cao Zhi-Ling,Shi Da-Hua
Abstract Fourteen 1,3,5-triazine–1,2,4-triazine hybrids were designed and synthesized. Their structures were confirmed by IR, NMR, and high-resolution mass spectra, as well as by single crystal X-ray diffraction. The cholinesterase inhibitory activities of the hybrids were assayed by Ellman’s method. Five of the fourteen hybrids inhibited acetylcholinesterase by more than 50% at a concentration of 50 μM. Only two hybrids inhibited butyrylcholinesterase by more than 50% at a concentration of 50 μM. Compound 5c possessed the best acetylcholinesterase and butyrylcholinesterase inhibitory activities with IC 50 of 6.80±0.14 μM and 1.91±0.12 μM, respectively. Molecular docking showed that compound 5c interacted with both catalytic active site and peripheral anionic site of acetylcholinesterase.
研究领域:
药理学
·
有机化学
·
神经科学
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2020
·
IF 5.065
Xianzhao Shao,Maifang Zuo,Changchun Zhao,Wei Wang,Zhizhou Li
2,4-diamino-6-(4-pyridyl)-1,3,5-triazine (DAPT) was synthesized and analyzed by nuclear magnetic resonance and Fourier transform infrared spectroscopy , thermogravimetric and elemental analysis techniques as well as by high-resolution transmission electron microscopy. DAPT solubility (in tetrahydrofuran , methanol, ethanol, n-propanol, and isopropanol) in the 288.15–318.15 K range was measured using the static analytical technique. We also performed quantum chemical calculations using Gaussian 09 and determined influence of solvent polarity and solute-solvent interactions on DAPT solubility. Experimental results were treated by modified Apelblat and Buchowski-Ksiazaczak ( λh ) equations as well as by the Wilson and nonrandom two-liquid (NRTL) models. All four models showed excellent agreement. This study provides valuable data for the purification of DAPT at the preferential crystallization procedure.
研究领域:
化学
·
材料科学
✓ 已验证
DOI
高影响因子
JOURNAL OF ORGANIC CHEMISTRY
·
2022
·
IF 4.198
Xiang Liu,Yuhan Wang,Huitao Zheng,Junyan Huang,Zhengquan Su,Limin Zhao,Hua Cao
Here, we report a facile and metal-free method for the construction of dihydrooxazine derivatives via a formal (3 + 3) annulation reaction of naphthols and 1,3,5-triazinanes. The 1,3,5-triazinanes were utilized as a formal three-atom synthon (C–N–C) for cycloaddition. In addition, dihydrothiazine and tetrahydrobenzoquinazoline derivatives could also be produced in good yields by this strategy under catalyst-free and additive-free conditions.
研究领域:
有机化学
·
合成化学
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2022
·
IF 3.841
Jia-bin Su,Wen-long Wu,Chang-E Dong,Shun Yang,Yuan-yuan Feng,Tian Qin,Ke-qi Chen,Jing-jing Qian,Jing-pei Zou,Yu-Han Liu,Shan-ming Liu,Wei-Wei Liu,Da-Hua Shi
Sixteen new 1,3,5-triazine-quinoline derivatives were designed and synthesized and evaluated as cholinesterase inhibitors. The structure of 1,3,5-triazine-quinoline derivatives were confirmed by IR, NMR, HRMS and single crystal X-ray diffraction experiments. Compound 5j had a monoclinic crystal system and P2 1 /c space group. Compound 5k had a monoclinic crystal system and C2/c space group. The cholinesterase inhibitory activity of the synthetic compounds were measured using the colorimetric Ellman's method. Compound 5 g showed best acetylcholinesterase inhibitory activity with IC 50 value of 10.82 μM and butyrylcholinesterase inhibitory activity with IC 50 value of 0.046 μM. Molecular docking showed that the compound 5 g could interacted with the active site of butyrylcholinesterase.
研究领域:
药物化学
·
有机化学
·
生物化学
✓ 已验证
DOI
高影响因子
Applied Sciences-Basel
·
2018
·Vol. 8
·期 4
·560
·
IF 1.689
Guangyang Liu,Yongxin She,Sihui Hong,Jing Wang,Donghui Xu
Featured ApplicationThe developed method would be useful for monitoring melamine in milk and formula powdered milk.AbstractWe present a directly competitive fluorescence assay for highly sensitive detection of melamine in milk using magnetic dummy molecularly imprinted polymers (MDMIPs). The detection principle is based on competitive binding between the fluorescent label and melamine on the MDMIPs. The fluorescent label was obtained by combining fluorescein isothiocyanate (FITC) with melamine in ethanol and water. MDMIPs were prepared on the surface of Fe3O4@SiO2nanoparticles using 2,4-diamino-6-methyl-1,3,5-triazine as dummy template. The MDMIPs were characterized and their adsorption capacity was evaluated based on their static adsorption and Scatchard analysis. Results suggest that MDMIPs were successfully coated on the Fe3O4@SiO2surface and had a core–shell structure. Adsorption experiments suggested that the MDMIPs had higher specific recognition capacities for melamine and FITC–melamine (FITC-Mel) than did magnetic dummy molecularly non-imprinted polymers. Competitive binding between FITC-Mel and melamine was performed under the optimum conditions to determine melamine quantitatively. The linear range of this fluorescence assay was 0.1–20 mg/L for melamine detection. The detection limit was 0.05 mg/L in negative milk samples. The assay was also successfully employed to detect melamine in spiked milk samples, with satisfactory recoveries, i.e., between 70.2% and 92.7%.Keywords:ELISA-like fluorescence assay;magnetic dummy molecularly imprinted polymers;2,4-diamino-6-methyl-1,3,5-triazine;fluorescein isothiocyanate;melamine
研究领域:
分析化学
·
食品安全检测
✓ 已验证
产品关联
DOI
高影响因子
Inorganic Chemistry Frontiers
·
2024
·
IF 6.1
Yunhu Wang,Fangxu Dai,Yafei Tao,Kai Zhang,Bingjie Li,Mingming Zhang,Kang Liu,Jixiang Xu,Lei Wang,Jun Xing
Aromatic carbon nitride (PhCN), as an emerging semiconductor material, has attracted much attention due to its excellent optical properties. Fully understanding the synthesis mechanism, chemical structure, and optical properties of PhCN would significantly promote its progress in synthesis, modifications and applications. Here the chemical structures and optical properties of PhCN and intermediates have been systematically studied, and hereby the synthesis mechanism of PhCN is explicitly proposed for the first time. The results show that the precursor 2,4-diamino-6-phenyl-1,3,5-triazine (DPT) is deaminated to form the DPT dimer, trimer and polymers, and then the triazine was isomerized to tri-s-triazine by a ring-opening isomerization reaction to form PhCN. Meanwhile, the correlation between structural and optical properties of PhCN and intermediates demonstrates the electron delocalization effect of the phenyl group and reveals that highly polymerized PhCN has a more stable molecular structure, thus exhibiting more stable photophysical properties. Our work provides a fundamental study from synthesis to structures and optical properties of PhCN, which will certainly promote its deeper research and wider application.
研究领域:
材料科学
·
化学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Saudi Chemical Society
·
2025
·Vol. 29
·期 4
·1-17
·
IF 5.8
Xing Jiayou,Yao Chen,Xu Yingna,Yang Guoyu,Shi Lijun
Compounds containing a 1,3,5-triazine skeleton exhibit broad-spectrum biological activity, particularly in the fields of antiviral, antibacterial, anticancer, and anti-inflammatory properties in medicine. In this study, a series of 1,3,5-triazine derivatives containing morpholine group were designed and synthesized. Their structures were identified by 1 H NMR, 13 C NMR, HRMS and X-ray single crystal diffraction, and their antiviral activity against pseudorabies virus (PRV) and vesicular stomatitis virus (VSV) was evaluated. The results of cell-based assays revealed that some target compounds possessed excellent antiviral effect against PRV and VSV. Compounds 10ce (SI: 30.82 against PRV, 16.19 against VSV) and 10de (SI: 10.26 against PRV, 13.22 against VSV) exhibited excellent antiviral activity, with significantly higher selectivity indices compared to other derivatives. Further investigations revealed that both compounds effectively inhibited the viral progeny titers of both PRV and VSV. This antiviral activity was corroborated by Western blot and qRT-PCR analyses, which demonstrated significant downregulation of the corresponding viral proteins and their associated genes. Molecular docking studies demonstrated that compounds 10ce and 10de bound to the active site of PIKfyve with binding energies of -11.2 kcal/mol and -11.4 kcal/mol, respectively, forming hydrogen bonds and hydrophobic interactions. These findings suggest that their antiviral effects may be mediated through interactions with PIKfyve. Moreover, cytotoxicity assays showed that the CC50 values of compounds 10ce and 10de were 47.77 μM and 46.39 μM, respectively, indicating their relatively high safety profiles. These results suggest that 1,3,5-triazine-based compounds are highly promising candidate drugs worthy of further development.
研究领域:
药物化学
·
病毒学
·
药理学
·
化学生物学
·
结构生物学
✓ 已验证
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2016
·
IF 2.567
Yapeng Hu,Xiangmei Wang,Juan Li
An exfoliated montmorillonite (E-MMT) was prepared by introducing Ni2+ and melamine formaldehyde into layers of MMT. The E-MMT was applied to regulate the flame retardant properties of polypropylene (PP)/intumescent flame retardant (IFR) composites. The IFR used consists of ammonium polyphosphate (APP) and a charring agent, 1,3,5-triazine-2,4,6-trimorpholinyl (TTM). The results revealed that the E-MMT has good synergistic effect on flame retardancy of PP/IFR composites. The PP composites with 16 wt % IFR and 3 wt % E-MMT can pass the UL94 V-0 test. Moreover, the E-MMT not only improves the char residues of IFR and PP/IFR blend but also changes the micromorphology of char, turning the compact surface char produced by PP/IFR into microporous char. This microporous char is so good for isolating heat and mass between PP and the outside that a better flame retardant property is obtained.
研究领域:
材料科学
·
高分子科学
·
消防安全工程
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）