APPLIED CATALYSIS A-GENERAL
·
2022
·
IF 5.723
Yi-Tian Wang,Si-Ming Wu,Guo-Qiang Luo,Ge Tian,Bo-Jun Zeng,Li-Ying Wang,Shi-Tian Xiao,Jing-Xian Wu,Ao Wu,Kang-Jun Wu,Silvia Lenaerts,Xiao-Yu Yang
Dual active sites from acidic zeolite and Pd are not only capable of catalyzing multiple type of reactions, but could also generate unique functions owing to the synergy between metals and acidic sites. However, there are only a few reports on the investigation of the synergy of acid/Pd dual sites in TS-1. Herein, TS-1 confined Pd catalyst with mesoporous silica shell (Pd@TS-1 @meso-SiO 2 ) has been successfully synthesized and its synergy effect contributes to the enhanced conversion rate (19.2%) and selectivity (74.7%) on styrene oxidation . The interaction between Pd and TS-1 has been investigated by EPR and 1 H NMR techniques, the experimental measurements show an obvious change in the signal distribution of weakly acidic terminal hydroxyls and hydrogen-bonding silanols. The schematic illustration of selective styrene oxidation in the model of Pd@TS-1 @meso-SiO 2 is proposed to clarify the synergistic effect on styrene oxidation between TS-1 and Pd nanoparticles at an atomic-/nanoscale.
研究领域:
催化化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Wei Ding,Xiaofeng Yuan,Ming Lu,Yuangang Xu
3-Nitro-1-(trinitromethyl)-1 H -pyrazole-4-carboxylic acid ( 4 ) and its corresponding ammonium ( 5 ) and hydroxylammonium ( 6 ) salts were successfully synthesized from 3-amino-1 H -pyrazole-4-carbonitrile. Their structures were characterized by infrared, nuclear magnetic resonance, elemental analysis, and confirmed by single-crystal X-ray diffraction to be triclinic P 1 ¯ ( 4 ), monoclinic C 2 /c ( 5 ) and Cc ( 6 ) Space group with 2, 8, and 4 molecules per unit cell. ADCH charge analysis revealed an uneven electron density distribution across the ring system of 4 , with notably high charge density around two oxygen atoms of the carboxyl group, which facilitates hydrogen bond formation. NICS aromaticity evaluation further confirmed the strong aromatic nature of the product, with an NICS(1)zz value below -20.0 ppm. Remarkably, the hydroxylammonium salt 6 not only retains outstanding detonation properties (detonation velocity D = 8878 m s - ¹, detonation pressure P = 35.60 GPa) but also demonstrates superior mechanical sensitivity (impact sensitivity IS = 12 J, friction sensitivity FS = 200 N). This achieves an optimal balance between high energy and low sensitivity, meeting the design objectives for high-energy insensitive materials. The findings offer valuable insights and experimental support for the molecular design of novel energetic compounds that integrate high energy performance with robust stability.
研究领域:
含能材料化学
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有机合成
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炸药科学
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晶体学
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计算化学
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产品关联
DOI
高影响因子
JOURNAL OF APPLIED POLYMER SCIENCE
·
2018
·Vol. 136
·期 2
·47016
·
IF 1.901
R. Wang,G. Ye,W. Zhou,F. Jiang,Y. Wu,J. Hou,D. Li,J. Wu,Y. Chang,A. Liang,J. Xu,Y. Du
The electron-donating substituted indole is generally difficult to be polymerized into high-quality film. The electrochemical polymerization of the electron-donating 3,4-ethylenedioxythiophene (EDOT)-monosubstituted indole may be a challenge. Herein, we designed and synthesized a novel fluorescent comonomer based on the combination of indole and EDOT groups, namely, 5-(2,3-dihydrothieno[3,4- b ][1,4]dioxin-5-yl)-1 H -indole (EDTI), and subsequently electrodeposited into flawless freestanding flexible poly(5-(2,3-dihydrothieno[3,4- b ][1,4]dioxin-5-yl)-1 H -indole) (PEDTI) film with a resistance of 60 MΩ/cm in CH 2 Cl 2 containing 0.1 M Bu 4 NBF 4 . Electrochemical results showed that the oxidation onset potential of EDTI was at 0.8 V vs Ag/AgCl, which was lower than those of indole (0.96 V vs Ag/AgCl) and EDOT (1.35 V vs Ag/AgCl). FTIR spectra indicated that the polymerization of EDTI occurred at the 5-position on thiophene ring and 2,3-positions on indole ring, forming the crosslinking polymer film. The colors of as-prepared PEDTI could switch reversibly from purple to brown under applied potentials of 1.3 and −1.3 V, which were distinctly different from those of polyindole, poly(3,4-ethylenedioxythiophene) (PEDOT), and poly(EDOT-bis-substituted indole) (PETI). Fluorescence spectral studies revealed that the comonomer and corresponding polymer were good blue-green light emitters. These results implied that PEDTI had potential applications for photoelectric devices such as electrochromic devices, light-emitting diodes, and fluorescence sensors. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136 , 47016.
研究领域:
材料科学
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电化学
·
光电材料
✓ 已验证
DOI
高影响因子
CRYSTENGCOMM
·
2015
·Vol. 17
·期 29
·5569-5578
·
IF 4.034
Ai-Xiang Tian,Ya-Li Ning,Jun Ying,Guo-Cheng Liu,Xue Hou,Tian-Jiao Li,Xiu-Li Wang
By using two kinds of organic ligands (1-benzyl-1H-(1,2,4)triazole (2-btz) and 1-benzyl-1H-(1,3,4)triazole (3-btz)), six polyoxometalate (POM)-based compounds were hydrothermally synthesized and structurally characterized, [Ag4(2-btz)4(HPMo2VMo10VIO40)] (1), [Ag4(2-btz)4(SiW12O40)] (2), [Ag4(2-btz)5K(SiWVW11VIO40)]·13H2O (3), [Cu4(2-btz)16(Mo8O26)2] (4), [Cu3(3-btz)8(H2O)4](PMo12O40)2·4H2O (5) and [Cu7(3-btz)16(OH)2(H2O)4(P2W18O62)2]·16H2O (6). Compounds 1 and 2 are isostructural with two sets of Ag–(2-btz) chains linked by Keggin anions to construct a “ladder”. Adjacent “ladders” are further connected by Ag1–O13 bonds to build a 3D framework. In compound 3, the anion dimers are linked by Ag5–O9 bonds to form a 1D chain. The chains are fused by Ag3 and K ions and a 3D framework of 3 is built. In compound 4, the Mo8 anions are linked by [Cu(2-btz)4]2+ subunits to construct a 3D structure. By changing 2-btz to 3-btz, we obtained a linear tri-nuclear cluster [Cu3(3-btz)8(H2O)4]6+ in compound 5. The discrete PMo12 anions combine with tri-nuclear clusters through hydrogen bonding interactions to construct a 2D supramolecular layer. Compound 6 contains a cycle tri-nuclear cluster-supporting anion [Cu3(3-btz)6(OH)(H2O)2(P2W18O62)]−, which is further connected by one [Cu(3-btz)4]2+ subunit to construct a discrete anion dimer. The title compounds show good electrocatalytic activities for reducing nitrite, hydrogen peroxide and bromate. These compounds also exhibit excellent photocatalytic activities for the degradation of methylene blue (MB, 1–6 as catalysts) and Rhodamine B (RhB, 5 and 6 as catalysts). Additionally, the magnetic properties of compounds 5 and 6 have been investigated.
研究领域:
无机化学
·
材料科学
✓ 已验证
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2026
·
IF 5.2
Mengjiao Wang,Haoyu Li,Lu Bai,Quan Guo,Jiayuan Wu,Chi-Tang Ho,Naisheng Bai,Sen Guo
The rapid and targeted identification of bioactive constituents from complex natural product matrices remains a significant challenge in natural product research. This study employs an integrated biochemometrics workflow combining 1 H Nuclear Magnetic Resonance ( 1 H NMR) and mass spectrometry (MS) to efficiently pinpoint antioxidant components from Aganosma cymosa . Systematic separation of the crude extract yielded 37 microfractions (MFs), which were subjected to both antioxidant activity evaluation and UHPLC-MS/MS profiling. An active molecular network was constructed by calculating Spearman rank correlation coefficients between MS feature abundances and the corresponding antioxidant activity data, enabling visualization of activity-correlated features within the GNPS platform. To address the limitation of MS-based annotation in distinguishing structural isomers, feature-based GNPS analysis was integrated with 1 H NMR heterospectral covariance analysis (HetCA). The HetCA pseudo-spectra provided orthogonal validation and precise spectroscopic targets for subsequent isolation. Through this combined strategy, the main antioxidant constituents were successfully predicted, isolated, and structurally verified by NMR data. In conclusion, this study demonstrates that the synergistic integration of Spearman rank correlation-based active molecular networking, a multi-level prioritization strategy, and 1 H NMR HetCA orthogonal validation provides a powerful paradigm for the precise identification of bioactive components in complex plant matrices.
✓ 已验证
DOI
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2021
·
IF 7.963
Lin Shi,Di Zhang,Jinfeng Zhao,Jianliang Xue,Mengnan Yin,Aiping Liang,Bo Pan
The slower adsorption of lower molecular weight organic molecules remains poorly understood. This study investigated the adsorption kinetics of gallic acid (GA) and tannic acid (TA) on kaolinite (Kao), montmorillonite (Mon) and hematite (Hem), with an emphasis on the role of the bound water on the minerals. The lower adsorption of TA and GA on Kao than on Mon attributed to the lower specific surface area of Kao. Because of the electrostatic attraction, the adsorption of TA and GA on Hem was higher than that on Mon, even the specific surface area of the former was much lower than that of the later. The adsorption rates of TA on the three minerals were generally two orders of magnitude higher than those of GA. The adsorption kinetics of GA was strongly diffusion dependent; however, the diffusion process had limited influence on TA adsorption kinetics. The decreased c values of the intraparticle diffusion model of GA with increasing ionic strength provided additional direct evidence for the diffusion-dependent adsorption and the reduced hindrance by bound water via hydration layer compression. However, hydration layer compression had no effect on TA adsorption kinetics. The reduced 1 H NMR relaxation rate of bound water indicated that the bound water quantity on minerals decreased with increasing ionic strength, which proved the occurrence of hydration layer compression. This study highlighted the importance of bound water and the relative sizes of organic molecules in the adsorption kinetics of organic compounds on minerals, which should be carefully considered for their environmental fate studies.
研究领域:
环境科学
·
土壤化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
RSC Advances
·
2020
·Vol. 10
·期 2
·784-789
·
IF 3.119
Hongshe Wang,Yichun Wang,Yinfeng Han,Weixing Zhao,Xiaomei Wang
Humic acid is a non toxic, inexpensive, easily available high-molecular weight polymer. A simple and facile one pot three-component synthesis of 5-substituted 1H-tetrazoles from aldehydes, hydroxyamine hydrochloride and sodium azide using humic acid as an efficient catalyst in water is described. The method reported has several advantages such as high to excellent yields, easy work-up, mild reaction conditions, use of water as a green solvent, and a commercially available, nontoxic and reusable catalyst.
研究领域:
有机化学
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绿色化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MAGNETIC RESONANCE IN CHEMISTRY
·
2017
·Vol. 56
·期 2
·73-79
·
IF 1.601
Xiaochen Tang,Yingjie Xu,Xiao Zhu,Yueqing Lu
In this work, changes in microstructure of two protic ionic liquids (PILs), namely n -butylammonium acetate (N4Ac) and n -butylammonium nitrate (N4NO 3 ), are proved by in situ variable-temperature 1 H NMR spectroscopy at the temperature range from 25 to 115 °C, and the influence of the nature of anion is discussed accordingly. The results demonstrate that 1 H NMR chemical shifts of alkyl protons of both N4Ac and N4NO 3 are almost not changed with the increasing of temperature, due to the absence of hydrogen bond interaction between alkyl protons with anions. Whereas those of + N―H of cation decrease linearly with the temperature increasing, indicating that the hydrogen bond interaction between + N―H and anion weakens gradually. In addition, the strength of hydrogen bond interaction between + N―H and NO 3 − is stronger than that between + N―H and Ac − , suggesting that anions have a significant influence on microstructure due to the acidity of a Brønsted acid. Consequently, the proton transfer from cation to anion is much easier in N4Ac compared to N4NO 3 . Further analyses of 1 H NMR chemical shifts of + N―H in N4Ac at the temperature range from 100 to 115 °C suggest that the splitting of + N―H peak may be attributed to obvious evidence of the existence of the proton transfer from + N―H to Ac − , which leads to dissociate the contact ion-pair in N4Ac to form the neutral ion-pair ‘molecule’. The results will help us to extensively understand the behavior of proton transfer and offer us some valuable information for the design of PILs. Copyright © 2017 John Wiley & Sons, Ltd.
研究领域:
化学
·
材料科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2021
·Vol. 26
·期 19
·5974
·
IF 4.412
Iryna S. Protsak,Yevhenii M. Morozov,Dong Zhang,Volodymyr M. Gun’ko
The investigation of molecular interactions between a silica surface and organic/inorganic polymers is crucial for deeper understanding of the dominant mechanisms of surface functionalization. In this work, attachment of various depolymerized polydimethylsiloxanes (PDMS) of different chain lengths, affected by dimethyl carbonate (DMC), to silica nanoparticles pretreated at different temperatures has been studied using29Si,1H, and13C solid-state NMR spectroscopy. The results show that grafting of different modifier blends onto a preheated silica surface depends strongly on the specific surface area (SSA) linked to the silica nanoparticle size distributions affecting all textural characteristics. The pretreatment at 400 °C results in a greater degree of the modification of (i) A-150 (SSA = 150 m2/g) by PDMS-10/DMC and PDMS-1000/DMC blends; (ii) A-200 by PDMS-10/DMC and PDMS-100/DMC blends; and (iii) A-300 by PDMS-100/DMC and PDMS-1000/DMC blends. The spectral features observed using solid-state NMR spectroscopy suggest that the main surface products of the reactions of various depolymerized PDMS with pretreated nanosilica particles are the (CH3)3SiO-[(CH3)2SiO-]xfragments. The reactions occur with the siloxane bond breakage by DMC and replacing surface hydroxyls. Changes in the chemical shifts and line widths, as shown by solid-state NMR, provide novel information on the whole structure of functionalized nanosilica particles. This study highlights the major role of solid-state NMR spectroscopy for comprehensive characterization of functionalized solid surfaces.Keywords:silica nanohybrids;solid-state NMR;surface properties;polydimethylsiloxane;silica functionalization
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
LANGMUIR
·
2020
·
IF 3.557
Xinting Han,Junyan Peng,Shaohua Jiang,Jian Xiong,Yu Song,Xiao Gong
Good mechanical and chemical stabilities are the key factors for the wide application of superhydrophobic surfaces. In this work, we first prepared raspberry-like hollow structured SnO2 nanoparticles using a simple hydrothermal method, followed by an annealing step. Then, the intrinsic raspberry-like hollow SnO2 nanoparticles were combined with hydrophilic SiO2 nanoparticles to construct rough surfaces with suitable hierarchical structures, and 1H,1H,2H,2H-perfluorodecyltriethoxysilane (FAS-17) was used as a hydrophobic modifier of SnO2, while epoxy resin was used as an adhesive to prepare a superamphiphobic coating with good stability and durability. Such a coating can be applied on various substrates using a simple spray-coating or drop-coating method. The water contact angle and diiodomethane contact angle of the coating could reach up to ∼165 and ∼151°, respectively. After various chemical and mechanical stability tests including hot water treatment, salt water corrosion, strong adhesive tape peeling, and kneading, the coatings still remained amphiphobic. The facile fabrication of the robust superhydrophobic coating has great potential for applications in real life and industrial production.
研究领域:
材料科学
·
表面化学
·
纳米技术
·
涂层与薄膜
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BMC Chemistry
·
2019
·Vol. 13
·期 1
·1-7
·
IF 0
Zhang Xiaoning,Liang Jianwei,Chen Zhenyu,Donley Carrie,Liu Yuling,Cheng Guotao
Natural Bombyx mori silk fibroin (SF) fibers were modified with 2-methacryloyloxyethyl isocyanate (MOI) first for the introduction of vinyl groups. Then, 1H,1H,2H,2H-perfluorodecanethiol was grafted onto the SF fibers via thiol-ene click chemistry using ultraviolet light. The formations of MOI-modified and PFDT-grafted SF fibers were analyzed using Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy, respectively. The morphology of samples was also revealed by a scanning electron microscope. In addition, differential scanning calorimetry results demonstrated that SF fibers did not show significant change in thermal behavior, regardless of the chemical modification. To confirm the cytotoxicity of the prepared SF fibers, MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] assay was performed, and no toxicity was observed with PFDT-grafted SF fibers. The results also showed that PFDT-grafted SF fibers exhibited good antifouling properties when Chlorella vulgaris (C. vulgaris) was selected as a model for algal cells adhesion experiment.
研究领域:
材料科学
·
表面化学
·
生物医学工程
·
高分子化学
✓ 已验证
产品关联
DOI
PubMed
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2024
·
IF 5.7
Rui Fan,Jingjing Dong,Xiaoxiao Li,Ying Chen,Zhengyu Jin,Yuxiang Bai
Reuteran is a functional homopolysaccharide comprising major (α1 → 4) and interspersed (α1 → 6) linkages whose properties and functions are directly associated with the structure. In order to enrich the structural variety and application prospects of reuteran, a GtfB-type 4,6-α-glucanotransferase from Limosilactobacillus mucosae L24-B (LmGtfB), which can synthesize reuteran with high-content linear (α1 → 6) linkages, was screened. LmGtfB exhibited 4,6-α-glucanotransferase activity against starch or dextrin and can synthesize both linear and branching (α1 → 6) linkages, which offered advantages in terms of source and cost. The as-produced reuteran had the highest content of linear (α1 → 6) linkages (19% in the methylation result) among the reuterans synthesized by other GtfB-type 4,6-α-glucanotransferases. A purification method was established and applied to the extraction of the core structure of the LmGtfB products. 1H NMR and enzymatic hydrolysis revealed that the core structure contains 46.24% (α1 → 6) linkages and alternating (α1 → 4)/(α1 → 6) linkages, which was formed by enzymatic transfer of maltose.
研究领域:
生物化学
·
微生物学
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碳水化合物化学
·
酶学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）