LIQUID CRYSTALS
·
2022
·
IF 2.676
Tong Zhang,Yuyu He,Fanghua Liang,Ran Chen,Pei Chen,Xinbing Chen,Zhongwei An
A series of benzimidazole-based liquid crystal compounds containing laterally difluoro-substituted and ethynyl linking groups, namely, 2-(4-(2-(2,3-difluoro-4-(alkoxy) phenyl)ethynyl)phenyl)-1-methyl-1 H-benzimidazolem derivatives (nPF(2,3)EPMx), are synthesised and investigated for their mesomorphic properties. These compounds mainly display enantiotropic nematic mesophases in the ranges of 32.0–44.5°C (heating process) and 50.0–64.0°C (cooling process). 10PF(2,3)EPMx exhibits lower clearing points and broader nematic phase ranges than nonfluorinated reference compound 10PEPMx, because of their slightly increased dipole moment. nPF(2,3)EPMx displays much larger theoretical birefringence (0.43–0.55) and experimental birefringence (0.42–0.53) than the common tolane-based liquid crystals, which is ascribed to its large π-conjugated molecule composed of benzene core, ethynyl linking group and benzimidazole terminated unit. The theory results of three-dimensional molecular conformations with dipole moment (µ), ratio of length to width (L/W), polarisability anisotropy (Δα) and average polarisability (Δα) calculated with density functional theory are also helpful in explaining the experimental results.
研究领域:
材料科学
·
化学
✓ 已验证
DOI
高影响因子
Nanomaterials
·
2022
·Vol. 12
·期 22
·4041
·
IF 5.719
Tao Zhang,Yan Liu,Guihuan Chen,Hengjun Liu,Yuanyuan Han,Shuhao Zhai,Leqing Zhang,Yuanyuan Pan,Qinghao Li,Qiang Li
Transition metal fluoride (TMF) conversion cathodes, with high energy density, are recognized as promising candidates for next-generation high-energy Li/Na-ion batteries (LIBs/SIBs). Unfortunately, the poor electronic conductivity and detrimental active material dissolution of TMFs seriously limit the performance of TMF-LIBs/SIBs. A variety of FeF3-based composites are designed to improve their electrochemical characteristics. However, the storage mechanism of the conversion-type cathode for Li+and Na+co-storage is still unclear. Here, the storage mechanism of honeycomb iron (III) fluoride and carbon (FeF3@C) as a general cathode for LIBs/SIBs is analyzed by kinetics. In addition, the FeF3@C cathode shows high electrochemical performance in a full-cell system. The results show that the honeycomb FeF3@C shows excellent long-term cycle stability in LIBs (208.3 mA h g−1at 1.0 C after 100 cycles with a capacity retention of 98.1%). As a cathode of SIBs, the rate performance is unexpectedly stable. The kinetic analysis reveals that the FeF3@C cathode exhibit distinct ion-dependent charge storage mechanisms and exceptional long-durability cyclic performance in the storage of Li+/Na+, benefiting from the synergistic contribution of pseudocapacitive and reversible redox behavior. The work deepens the understanding of the conversion-type cathode in Li+/Na+storage.Keywords:full-cell;kinetic analysis;metal fluorides;storage mechanism
研究领域:
材料科学
·
电化学
✓ 已验证
DOI
PubMed
高影响因子
Journal of Cleaner Production
·
2019
·
IF 6.395
Wuming Xie,Fengping Zhou,Jingyong Liu,Xiaolin Bi,Zijun Huang,Yuhui Li,Dongdong Chen,Haiyuan Zou,Shuiyu Sun
A large amounts of red mud (RM) and spent pot lining (SPL) produced during aluminum extraction and electrolysis are restricting the sustainable development of aluminum industry. In this study, an integrated route for synergistic reutilization of RM and SPL was proposed to deal with this dilemma. To improve the recovery efficiency of metallic Fe, Si and Al were firstly extracted from RM to synthesize 4A-zeolite. Afterwards, reductive roasting process was employed for iron recovery using SPL as reducing agent. Metallic Fe obtained from the reductive roasting were collected by wet magnetic separation to yield valuable iron concentrate from nonmagnetic residues. Thermodynamic studies using Factsage 7.1 software were implemented to determine the transformation of mineral phases, and orthogonal design experiments containing various parameters like SPL blend ratio, temperature, and retention time were investigated to optimize the conditions. The reductive process performed at blend ratio of 7 wt%, temperatures of 900 °C and 240 min retention time under N 2 atmosphere induced higher conversion yield of metallic Fe (88.84 wt%). Soluble fluorides in SPL resulted in its hazardous properties, but the formation of cuspidine (Ca 4 Si 2 F 2 O 7 ) in nonmagnetic residues suggested that the route not only reutilized valuable components, but also stabilized the hazardous element.
研究领域:
材料科学
·
环境工程
✓ 已验证
DOI
高影响因子
PHARMACEUTICAL RESEARCH
·
2024
·Vol. 41
·期 3
·577-593
·
IF 3.5
Mei Haoran,Wang Na,Wu Di,Rong Qi,Bai Xue,Huang Xin,Zhou Lina,Wang Ting,Hao Hongxun
Purpose Tegafur (TF) is one of the most important clinical antitumor drugs with poor water solubility, severely reducing its bioavailability. This work develops new cocrystals to improve the solubility of TF and systematically investigates the intermolecular interactions to provide new insights into the formation of cocrystal and changes in physicochemical properties. Method In this paper, two new 1:1 cocrystals of TF with 2,4 dihydroxybenzoic acid (2,4HBA) and p-nitrophenol (PNP) were synthesized. The cocrystal products were identified and characterized by various solid state analysis techniques. And the high performance liquid chromatography (HPLC) was conducted to determine the solubility and dissolution rate of TF and cocrystals. Moreover, the quantum chemistry calculations of crystal structure provided theoretical support for the results. Result Compared with pure TF, the solubility and dissolution rate of TF-2,4HBA is significantly increased in a pH 6.8 buffer at 37°C. Under accelerated storage conditions (40°C, 75% RH), all cocrystal exhibits excellent stability over 8 weeks. Hirshfeld surface (HS) analysis, atoms in molecules (AIM) analysis, interaction region indicator (IRI) analysis, molecular electrostatic potential surface (MEPS) analysis and frontier molecular orbital (HOMO–LUMO) analysis were integrated to understand the hydrogen bonding interaction more comprehensively. The simulation results are in good agreement with the experimental data. The results show that the analysis of physical and chemical properties of TF-PNP cocrystal and TF crystal by quantum chemistry method is reliable at molecular level. Conclusion These results are helpful to provide guiding methods in the cocrystal development and theoretical study of tegafur.
研究领域:
药学
·
化学
✓ 已验证
DOI
PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Jing Liu,Yuhao Zhou,Zhenxue Xiao,Mengyuan Xue,Sheng Liu,Tianying Yan
Lithium–sulfur (Li–S) batteries, with promising potential for high energy density, remain compelling candidates for next-generation energy storage systems. However, they still suffer from huge challenges such as severe shuttle effects and sluggish redox kinetics. A strategic approach involves the meticulous design of host materials at the molecular level, emphasizing the construction of efficient sulfiphilic organic molecules as anchoring sites for lithium polysulfides (LiPS). In this study, a series of benzamides (benzamide, 2-fluorobenzamide, and 2,6-difluorobenzamide) are introduced onto carboxylic multiwalled carbon nanotubes (C-CNT) to graft sulfur hosting materials with tailored functional interfaces for Li–S batteries. Through a comparative study, we identify the semi-ionic C−F bond and carbonyl functional group as active centers, presenting a synergistic strategy via Li···O and Li···F bonds for anchoring LiPS. The optimized cathode material of sulfur-based carbon nanotubes grafted with 2-fluorobenzamide exhibits outstanding electrochemical activity, achieving a high reversible capacity of 944.8 mAh/g under a high sulfur loading (5.5 mg cm −2 ) and low electrolyte usage (8 µL mg −1 ). Our study underscores the potential of tailoring the molecular structure of host materials to effectively immobilize LiPS for high-performance Li–S batteries.
研究领域:
材料科学
·
电化学
✓ 已验证
DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2020
·
IF 9.038
Yuanyuan Zhang,Ruyi Xiao,Shuangfei Wang,Hongxiang Zhu,Hainong Song,Guoning Chen,Hongfei Lin,Jian Zhang,Jianhua Xiong
To develop an efficient heterogeneous Fenton-like catalyst is of great importance for degrading organic pollutants. CeO 2 was selected as the catalyst carrier. Prussian blue (PB) was chose as the iron resource for its sensitivity to H 2 O 2 and low toxicity. PB modified CeO 2 composite was successfully fabricated and used for Fenton-like oxidation of norfloxacin (NOR) in this study. The characteristics of the catalysts demonstrated that the doping of PB distorted the lattice locally and increased the surface area of CeO 2 obviously. The XPS analysis also indicated that chemically supported catalysts PB/CeO 2 with more Ce 3+ was beneficial to Fenton-like catalytic reaction. The degradation tests showed that the PB/CeO 2 significantly enhanced the removal of NOR which indicated a synergistic effect between PB and CeO 2 . The reason should be mainly attributed to the synergetic catalysis of H 2 O 2 by Fe 3+ /Fe 2+ and Ce 3+ /Ce 4+ redox couples. At the same time, PB/CeO 2 composite showed well reusability and wide pH value range of 2–9 with fairly low concentration of iron ions. The reaction mechanisms were identified to be OH oxidation and improvement of oxygen vacancies (OVs).
研究领域:
环境科学
·
材料科学
✓ 已验证
DOI
高影响因子
Polymer Chemistry
·
2013
·Vol. 4
·期 15
·4120-4125
·
IF 5.231
Xiaoyong Zhang,Junfeng Hui,Bin Yang,Yong Yang,Daidi Fan,Meiying Liu,Lei Tao,Yen Wei
PEGylation is a popular approach for the surface functionalization of nanoparticles to achieve improved properties and better performance. Herein, we developed a facile method for surface PEGylation of hydrophobic fluoridated hydroxyapatite (FAp):Ln3+ (Ln = Eu or Tb) nanorods via hydrophobic interactions between oleic acid and amphiphilic synthetic copolymers, which were synthesized through reversible addition-fragmentation chain transfer (RAFT) polymerization using stearyl methacrylate (SMA) and poly(ethylene glycol) methacrylate (PEGMA) as monomers. Our results demonstrated that the morphology and fluorescent properties of the FAp nanorods are not significantly changed by the PEGylation procedure, and the resulting FAp nanorods were found to be stable in aqueous solution. More importantly, these PEGylated FAp nanorods are biocompatible with cells and could be utilized for cell imaging applications. Therefore, we believe that the method described in this work is a simple, efficient and general strategy for the surface PEGylation of hydrophobic nanoparticles.
研究领域:
材料科学
·
生物医学工程
✓ 已验证
DOI
高影响因子
Journal of Environmental Chemical Engineering
·
2024
·
IF 7.4
Xiaodong Yang,Minghui Li,Zhiyong Hou,Xuefei Yang,Yuanxia Guo,Shuaiqi Luo,Jin Zhao,Kai Wang,Pengkai Sun,Qiang Yang,Rui Chen,Shuo Yang,Xin Lu,Lulu Liu,Lili Wang,Ye Han,Fanming Zeng,Bin Gao
Norfloxacin, a quinolone antibiotic pollutant, posed a significant threat to environment and human being health. In this study, hydrotalcite-based g-C 3 N 4 composites were produced using electrostatic self-assembly and the structural memory effect of hydrotalcite to optimize their adsorption-degradation of norfloxacin under visible-light illumination. Optimized hydrotalcite and g-C 3 N 4 composite (750°C, 40 wt% of g-C 3 N 4 ) exhibited a highest photo-degradation rate constant of 1.8×10 −2 min −1 with 83.98 % norfloxacin degradation achieved within 1.5 h under visible-light, surpassing that of bare g-C 3 N 4 and hydrotalcite photocatalysts. The synergistic effects of the composite, such as uniform flower-like micro-morphology and rich mesoporous structure, resulted in a large specific surface area (58.67 m 2 /g), abundant active sites, and good photo-generated charge separation efficiency. All these facilitated both sorption (7.95 mg/g) and subsequent visible-light degradation of norfloxacin. Furthermore, the superior photocatalytic performance observed in the degradation of norfloxacin under visible-light illumination was assigned to the effective transport of photogenerated electrons and holes between hydrotalcite and g-C 3 N 4 components. The work highlights the potentials of hydrotalcite and g-C 3 N 4 composites as an excellent photocatalyst for environment remediation and water treatment.
研究领域:
环境科学
·
材料科学
✓ 已验证
DOI
高影响因子
CHINESE JOURNAL OF POLYMER SCIENCE
·
2024
·
IF 4.1
Wang Si-Yu,Xu Xin-Rui,Qiu Xin-Xin,Huang Xiao-Li,Wang Xin-Qi,Chen Zhi-Yong
The construction of monodisperse microporous organic microspheres is deemed a challenging issue, primarily due to the difficulty in achieving both high microporosity and uniformity within the microspheres. In this study, a series of fluorinated monodisperse microporous microspheres are fabricated by solvothermal precipitation polymerization. The resulting fluorous methacrylate-based microspheres achieved higher than 400 m 2 /g surface area, along with a yield of over 90% for the microspheres. Through comprehensive characterization and simulation methods, we discovered that the introduction of fluorous methacrylate monomers at high loading levels is the key factor contributing to the formation of the microporosity within the microspheres. The controlled temperature profile was found to be advantageous for achieving a high yield of microspheres and increased uniformity. Two-dimensional assemblies of these fluorinated microsphere arrays exhibited superhydrophobicity, superolephilicity, and water sliding angles below 10°. Furthermore, a three-dimensional assembly of the fluorinated microporous microsphere in a chromatographic column demonstrated significant improvement in the separation of Engelhardt agent compared to commercial columns. Our work offers a novel approach to constructing fluorinated monodisperse microporous microspheres for advanced applications.
研究领域:
材料科学
·
化学工程
✓ 已验证
DOI
高影响因子
SPECTROSCOPY LETTERS
·
2020
·
IF 0.88
Jianyu Chen,Jing Zhang,Wen Wang,Xiulan Ma,Yaxin Guo,Fangyuan Sun,Yujun Wang
Due to the norfloxacin will enter the natural water body with the effluent of the sewage treatment plant and cause water environment pollution, the research on how to effectively remove norfloxacin has become a hot topic. This experiment used hydrochloric acid and sodium hydroxide to study the modification of fly ash. The structure characteristics and properties of modified fly ash were determined by scanning electron microscope, X-ray diffractometer and infrared spectrometer, and the adsorption process of norfloxacin by fly ash was analyzed. It was found that the surface of fly ash modified by acid and alkali was rougher and the voids increased, which provided a rich adsorption site for the adsorption reaction of norfloxacin on fly ash, moreover, the specific surface area of sodium hydroxide modified fly ash increased the most, and the ability to adsorb norfloxacin was the strongest. The adsorption process characteristics showed that the adsorption reaction of norfloxacin is spontaneous, exothermic, disordered, and when the temperature increased, the adsorption amount of norfloxacin by fly ash was decreased, and the adsorption effect of fly ash on norfloxacin was the strongest under the pH = 7.0, yet inhibited when the adding of Ca2+ in the solution.
研究领域:
环境科学
·
污染控制
✓ 已验证
DOI
高影响因子
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2022
·
IF 7.139
Chengguo Yan,Xu Lu,Jiaguang Zheng,Yan Zhang,Qinan Wu,Fuying Wu,Liuting Zhang
MgH 2 has been extensively regarded as a low-cost hydrogen storage material with high gravimetric hydrogen capacity of approximately 7.6 wt%. However, the hydrogen release and absorption kinetics in MgH 2 still needs further improving. For the first time, the catalytic impacts of a new dual-cation metal fluoride K 2 TaF 7 upon the hydrogen storage characteristics of MgH 2 have been investigated in this work. With only 1 wt% K 2 TaF 7 dopant , the initial dehydrogenation temperature of MgH 2 was lowered by about 130 °C, releasing more than 7.3 wt% hydrogen totally. The desorption activation energy of MgH 2 + 1 wt% K 2 TaF 7 composite was decreased to 107.2 ± 1.2 kJ mol −1 . Besides, at 190 °C, the dehydrogenated MgH 2 + 1 wt% K 2 TaF 7 sample could absorb 6.56 wt% H 2 , while pristine MgH 2 re-absorbed only 3.45 wt% H 2 . Further studies revealed that K 2 TaF 7 could react with MgH 2 during dehydrogenation and produce symbiotic hydrides KMgH 3 and TaH 0.8 , which could play the role of hydrogen pumps during hydrogen release and uptake. The cooperative catalysis between the hydrogen pump effect and the active interface in the multi-hydride area significantly enhanced the reversible hydrogen storage in the MgH 2 +1 wt% K 2 TaF 7 composite. This study provides new thinking for novel catalysts to elevate the hydrogen storage performance of MgH 2 .
研究领域:
材料科学
·
能源工程
✓ 已验证
DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2022
·
IF 4.601
Zhenzhen Huang,Peng Liu,Xia Lin,Yudong Xing,Yan Zhou,Yuehua Luo,Hian Kee Lee
Perfluoroalkyl and polyfluoroalkyl substances (PFASs) have raised serious public health concerns because of their potential adverse effects in humans as revealed by toxicological and epidemiological research. However, routine monitoring of PFASs is still challenging due to their trace levels in various environmental and biological matrices. In this study, magnetic composite materials based on iron (II, III) oxide (Fe 3 O 4) with surface functionalization by cucurbit(n)uril (CB(n)) (Fe 3 O 4 @CB(n)) ( n = 6, 7, 8), were prepared and evaluated as new adsorbents for the magnetic solid-phase extraction of nine PFASs in lake water, tap water and fish muscle samples. The Fe 3 O 4 @CB(n) was characterized to examine their surface morphologies, sizes magnetism and thermal stability. Featuring good aqueous solution dispersibility, the macrocyclic structure of Fe 3 O 4 @CB(n) was also endowed with strong host-guest interactions, allowing extraction and enrichment capability towards the PFASs in complex matrices. MSPE using Fe 3 O 4 @CB(7) combination with ultra-high performance liquid chromatography coupled to Orbitrap high-resolution mass spectrometry, gave satisfactory quantitative analytical performance with low limits of detection of 0.004–0.04 µg L − 1 and limits of quantification of 0.005–0.1 µg L − 1 , linearities ranging from 0.01 to 10 µg L − 1 with high coefficients of determination (R 2 ≥ 0.993), and enrichment factors (15–76) for the nine target PFASs. The method proved to be effective for the enrichment and analysis of trace levels of PFASs in genuine environmental water and fish muscle samples, indicating that Fe 3 O 4 @CB(7) has promising applicability as an adsorbent for these contaminants.
研究领域:
环境科学
·
分析化学
·
材料科学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）