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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2025 · IF 5.4

Development of antibacterial hydrogels with fluoropolymers and silver nanoclusters

Yu Chen,Huan Chen,Haihua Wang,Xia Xin,Wenbing Kang

Silver nanoclusters (NCs) possess precise and tunable structures characterized by their unique properties, yet a single component often underperforms in practical applications. In this work, a series of stable and highly effective antibacterial gels were prepared by incorporating fluoropolymer (perfluoro-2, 5-dimethyl-3, 6-dioxactyl glycol acrylate-co-acrylic acid, FAA) into aqueous solutions of (NH 4 ) 6 [Ag 6 (mna) 6 ] (Ag 6 -NCs). It can be quickly gelated within a few seconds to achieve the rapid transformation of one-dimensional into three-dimensional structures. These gels are formed through the layering of nanowires, and their mechanical properties can be tailored by adjusting the FAA concentration. The assembly process of Ag 6 -NCs/FAA hydrogels was investigated by comparing it with various poly carboxylic acids, neutralized FAA, and aqueous AgNO 3 solutions under identical experimental conditions. This assembly results from various interactions, including hydrophobic interactions, van der Waals forces and hydrogen bonds. Furthermore, the hydrogel system demonstrated improved antibacterial activity due to the presence of Ag ions and fluorine atoms. The functional composite of materials, achieved through heterogeneous assembly, promoted the design of metal NC materials and furthered the development of macro manufacturing technology.

研究领域: 材料科学 · 生物学 · 化学工程
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LIQUID CRYSTALS · 2020 · IF 2.908

Benzoxazole-based nematic liquid crystals containing ethynyl and two lateral fluorine atoms with large birefringence

Mengting Zhang,Shenghua Du,Diao Yuan,Pei Chen,Guoqing Liu,Jiazhen Dang,Xinbing Chen,Zhongwei An

New kinds of heterocyclic mesogenic compounds containing benzoxazole, ethynyl, and laterally fluorinated phenyl groups, namely 2-[4-[2-[4-alkoxyphenyl]ethynyl]-2,3-difluorophenyl]-benzoxazole derivatives (nPEDFPBx), are synthesized and evaluated. The compounds nPEDFPBx except nitro-substituted ones have enantiotropic nematic mesophases with mesophase ranges of 16–86°C and 29–108 °C on heating and cooling, respectively. The results show that introduction of two lateral fluorine atoms into molecule results in enhanced nematic mesophase stability. Meanwhile, nPEDFPBx displays much higher birefringence (0.507–0.624) than common tolane-based liquid crystals, which is ascribed to its large π-conjugated molecule composed of benzene, ethynyl, and benzoxazole mesogenic unit. The nPEDFPBx has a high potential to serve as a dopant for liquid crystal mixture.

研究领域: 材料科学 · 化学
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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS · 2018 · IF 3.468

Thermal decomposition mechanism and kinetics of gemcitabine

Chengjie Wu,Jinzong You,Xuejie Wang

Gemcitabine (GTB) is a nucleoside drug used in chemotherapy for various carcinomas. In order to know why does GTB have good thermal stability, and to further understand the relationship between thermal stability and molecular structure. The thermal decomposition of GTB was measured with various thermal analytical techniques, the gaseous products and the residues of thermal decomposition were determined and identified. The molecular bond orders were calculated. The thermal decomposition mechanism of GTB was discussed. The thermal decomposition kinetics and the prospective lifetime of GTB were studied using the ATSM method. The results indicated that two strong electronegative fluorine atoms on furan ring make the strong charge-transfer (CT) structure to be formed, this strong CT structure remarkably enhance the N-glycosidic bond and the weakest bond, and lead to higher thermal stability and distinctive thermal decomposition mechanism. The thermal decomposition of GTB is a three-stage process. The initial step of decomposition is likely due to the loss of a furan ring. Most of GTB decompose and carbonizes directly to form insoluble substance and small molecules and just part of GTB decompose by way of cytosine stage. The initial decomposition temperature in either nitrogen or air is 235 °C. For decomposition in nitrogen, the apparent activation energy E a and pre-exponential factor A for the initial thermal decomposition are 123.4 kJ mol −1 and 3.80 × 10 10  min −1 , respectively. For decomposition in air, the corresponding E a and A are 126.3 kJ mol −1 and 7.94 × 10 10  min −1 , respectively. GTB has very good thermal stability under routine temperature and dry air atmosphere.

CAS / MDL: 71-30-7
研究领域: 药理学 · 药物化学 · 热分析
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APPLIED ORGANOMETALLIC CHEMISTRY · 2022 ·Vol. 36 ·期 7 ·e6759 · IF 4.072

Synthesis, characterization, and antitumor biological evaluation of novel fluorine-containing platinum (IV) complexes

Lihua Chen,Pan Zhao,Jing Yang,Xiali Liao,Bo Yang,Chuanzhu Gao

A series of antitumor platinum (IV) complexes based on ammonia and fluoropyridine carrier groups with biotin and chloride ions as axial groups have been designed and synthesized in this paper. The structures of platinum (IV) complexes were fully characterized by 1 H NMR, ESI-MS, and IR. Such Pt (IV) complexes have certain tumor targeting properties, and the Pt (II) complexes released in the reducing microenvironment could combine with DNA. Compared with cisplatin, complexes S3 and S4 exhibited similar cytotoxicity against SW480, HCT116, and HepG2 cancer cell lines according to in vitro antitumor activity evaluation. Particularly, Complex S2 showed 1.5–3.0 times higher cytotoxicity than cisplatin and picoplatin against selected cell lines. According to the structure–activity relationship, the introduction of fluorine atoms and axial chloride has an important influence on the strong cytotoxic activity of Pt (IV) complex. In addition, the axial biotin molecule increased the targeting of the complex to tumor cells. Overall, the novel fluorine-containing Pt (IV) complex S2 is an attractive antitumor lead compound with further research value.

研究领域: 药物化学 · 肿瘤学 · 生物无机化学
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JOURNAL OF MOLECULAR LIQUIDS · 2020 · IF 5.065

Inhibition performances of imidazole derivatives with increasing fluorine atom contents in anions against carbon steel corrosion in 1 M HCl

Meng Li,Yuanyong Ouyang,Wenzhong Yang,Yun Chen,Kegui Zhang,Zhaoshun Zuo,Xiaoshuang Yin,Ying Liu

This work tests the anti-corrosion ability of three imidazolium-based ionic liquids with different anions—bis(fluorosulfon)imide ([FSI] − ), bis(trifluoromethylsulfonyl)imide ([NTF 2 ] − ) and bis(pentafluoroethylsulfon)imide ([BETI] − )—on carbon steels in 1 M HCl solution at 298 K. Electrochemical impedance spectroscopy (EIS) indicated that increasing the number of –CF 2 groups in the anion vastly enhanced the corrosion-inhibition efficiency ( η ). Even at small concentrations (1.25 mM), [(OHC 2 )MIm][BETI] achieved an η of 86%. The polarisation curve verified that [(OHC 2 )MIm][BETI] acted as a mixed-type inhibitor and that its adsorption followed the EI-Away adsorption model. Scanning electron microscope (SEM) imaging intuitively confirmed the superior inhibition performance of [(OHC 2 )MIm][BETI]. X-ray photoelectron spectroscopy (XPS) showed that [(OHC 2 )MIm][BETI] was stably absorbed on the carbon-steel surface. Contact angle measurements indicated that adding the –CF 2 groups effectively decreased the hydrophilicity and surface energy of carbon steel from 69.39 to 19.93 mJ/m 2 , hindering the adsorption of water molecules. Moreover, a frontier molecular orbital theory (FMOT) study confirmed that the –CF 2 groups enhanced the donation and drawing of electrons, and molecular dynamics (MD) simulations revealed that they reduced the interaction energy (E interact ) values between the corrosion inhibitor molecule and the iron surface (from −321.08 to −612.74 kJ·mol −1 ). It was inferred that among the three ionic liquids, [(OHC 2 )MIm][BETI] absorbed most strongly to the carbon-steel surface.

研究领域: 材料科学 · 电化学
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OPTICAL MATERIALS · 2024 · IF 3.8

Increasing the open-circuit voltage and dielectric constant by introducing the number of fluorine atoms in organic solar cells

Pengzhi Guo,Junhong Liang,Jinye He,Sheng Guan,Qian Wang,Furong Shi,Yuan Zhou,Chenglong Wang,Yangjun Xia

For the purpose of examining the influence of the number of fluorine atoms on the open-circuit voltage ( V OC ) in photoelectric devices, the polymers PBDT-0F-G, PBDT-2F-G, PBDT-4F-G were synthesized. These side chains of the polymer were substituted by fluorine atoms in different quantities and the photovoltaic properties were characterized. The introduction of F atoms on the side chain has a deeper molecular orbital energy level than the polymer without F atoms. Thus, the introduction 4 F atoms enhanced the V OC , with an increased to 0.97 V, compared with 0.95 V in the control device. In addition, fluoridation also improves the dielectric constant, especially when the side chain was enhanced by 4 fluorine atoms, the ε r of PBDT-4F-G at 10 kHz was measured to be 4.5, which is higher than that of PBDT-2F-G (3.1) and PBDT-0F-G (2.9). Thus, the carrier mobility in the bulk heterojunction (BHJ) blends was improved. The results show that the improvement of devices performance is caused by introduction of F atoms.

研究领域: 材料科学 · 能源科学
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POLYMER · 2024 · IF 4.1

Thermosetting benzoxazoles with endo-alkynyl groups: Excellent thermal stability and low dielectric loss

Shiliang Liu,Rui Yang,Qixin Zhuang,Guozhu Zhan,Peiyuan Zuo,Xiaoyun Liu

In this study, six thermosetting benzoxazole monomers with endo-alkynyl groups are prepared, and the effect of the endo-alkynyl groups and substituent group on the curing behavior and solubility of monomers, and on the thermal properties and dielectric properties of polybenzoxazoles are investigated. Our findings reveal that incorporating endo-alkynyl groups enhances the cross-linked network in the benzoxazole monomers, thereby improving their thermal stability, hydrophobicity , and dielectric constant . However, this modification also results in decreased solubility and curing properties of the monomers. In addition, the position of the fluorine atoms can affect the curing behavior of monomer and the dielectric properties of polybenzoxazoles. When a fluorine atom is positioned ortho to the cyano group , it impedes the curing of the cyanide group, which increases the curing reaction temperature. Moreover, while it is generally believed that the addition of fluorine typically lowers the dielectric constant of a material, the placement of fluorine atoms ortho to the cyano group can lead to overlapping electronic effects. This overlap may increase the polarity of the curing network, which increases the dielectric constant and dielectric loss of the polybenzoxazoles. Among the six thermosetting benzoxazole monomers studied, poly (2 F-JQ) containing m -diethynyl groups exhibit a 5 % thermal decomposition temperature (Td 5 ) of 610 °C, and a low dielectric loss of 0.0045 at 1 MHz. Compared with other polybenzoxazoles, poly (2 F-JQ) possesses a moderate dielectric constant, excellent thermal stability, and extremely low dielectric loss. In summary, this study provides a new approach for preparing resins that feature high-temperature resistance and low dielectric loss.

研究领域: 材料科学 · 化学工程
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ORGANIC ELECTRONICS · 2018 · IF 3.68

Benzothiadiazole, hexylthiophen and alkoxy benzene based solution processable copolymer: Effect of the electron withdrawing substituents (fluorine atoms) on electrochemical, optical and electrochromic properties

Zhen Xu,Hongmei Du,Mengjie Yin,Bozhen Wang,Jinsheng Zhao,Yu Xie

4,7-Bis(4-hexyl-5-(trimethylstannane) -2-thienyl) −2,1,3-benzothiadiazole (HTBT) coupled with 2,5-bis (decyloxy)-1,4-dibromobenzene to afford the donor-π-bridge-donor-acceptor conjugated poly (4,7-bis (4-hexyl-2-thienyl) −2,1,3-benzothiadiazole-co-p-didecyloxybenzene) (PTBTB). Further, copolymerization of fluorine-functionalized HTBT moiety with alkoxyl benzene π-bridge using Stille crossing-coupling reaction yield PTBTB-F. The optical, electrochemical, fluorescent, spectroelectrochemical and electrochromic switching properties of two polymers with different acceptors are studied in detail. Both polymers exhibit excellent solubility in conventional organic solvents , high thermal stability and favorable fluorescence properties. The combination of a strong electron withdrawing pendant group (fluorine atoms) with benzothiadiazole (BT) backbone significantly influences the electrochemical redox, optical and electrochromic behaviors of conducting polymers . The introduction of fluorine atoms to BT lead to a higher oxidation onset potential, but an improved electrochemical n-doping process. The optical band gaps (E g ) of PTBTB and PTBTB-F films are calculated to be 2.02 eV and 1.91 eV, respectively. PTBTB and PTBTB-F films exhibited obvious and reversible color switching between their neutral and oxidized states with high optical contrasts as well as favorable response times, making the polymers unique candidates for flexible organic electrochromic device applications.

研究领域: 材料科学 · 有机化学
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ADVANCED FUNCTIONAL MATERIALS · 2021 ·Vol. 32 ·期 15 ·2110392 · IF 18.808

First-Principles Calculation Design for 2D Perovskite to Suppress Ion Migration for High-Performance X-ray Detection

Bobo Zhang,Zhuo Xu,Chuang Ma,Haojin Li,Yucheng Liu,Lili Gao,Jing Zhang,Jiaxue You,Shengzhong (Frank) Liu

Ion migration is a key root-cause of photocurrent instability in perovskite X-ray detectors. Although 2D perovskite single crystal (PSC) is a good candidate to suppress ion migration compared with its 3D counterpart, its intrinsic stability still needs to be improved. In this work, it is first envisioned to conquer the ion migration by enhanced chemical bonding; the proposal is further confirmed by density functional theory calculations, in which the bonds are made stronger by introducing a fluorine atom into the ortho position of phenethylamine (o-F-PEA) to shorten the distance between adjacent organic cations in the crystal lattice for enhanced electrostatic interactions between the F atom and the neighboring benzene ring. It is further demonstrated experimentally that the activation energy for ion migration (AEIM) of (o-F-PEA) 2 PbI 4 PSC is increased compared with that of (PEA) 2 PbI 4 PSC. The improved AEIM is also confirmed by enhanced thermal stability. Consequently, the dark current in the (o-F-PEA) 2 PbI 4 2D PSC X-ray detectors is reduced by two times compared with the (PEA) 2 PbI 4 reference. Furthermore, the detector shows the sensitivity of 1724.5 μC Gy air −1 cm −2 at 1250 V mm −1 , and much improved photocurrent stability.

研究领域: 材料科学 · 物理化学
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INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES · 2025 · IF 3.5

Cardanol-induced surface rearrangement of fluorine in polyurethane acrylic coatings to achieve self-cleaning and anti-graffiti properties

Jiaxing Zhang,Zhao Zhang,Hui Chang,Yangyi Chen

In this paper, a UV-curable solvent-free biomass polyurethane acrylic material was prepared by a two-step method, including the synthesis of cardanol-based polymerizable monomer and cardanol-based resins. This resin could form excellent self-cleaning and anti-fingerprint coatings after suffering from UV curing. It was found that the cardanol alkyl chain broke the hydrogen-fluorine (H⋅⋅⋅F) bond between the F atom of perfluoroalkyl acrylate and H-N of polyurethane in the coating. And cardanol alkyl chain synergistically induced the directional arrangement of F atoms to the surface, which improved the hydrophobic properties of the coating. This coating has good resistance to common pollutants such as water, ethanol, milk, coffee, dust, and fingerprints, and is suitable for various substrates such as sheet iron, and PET sheet. Due to the high degree of crosslinking in the coating, it can effectively prevent the penetration of acidic and alkaline substances, maintaining good self-cleaning performance even after immersion in a solution of strong acids or alkalis (pH 1–13) for 72 h. The use of cardanol-induced coating fluorine atom surface rearrangement technology can significantly reduce the amount of fluorine and also provide new ideas for the design of self-cleaning and anti-graffiti materials.

研究领域: 材料科学 · 化学工程
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APPLIED SURFACE SCIENCE · 2021 · IF 6.707

Exploration on the tribological mechanisms of polyimide with different molecular structures in different temperatures

Chao Hu,Huimin Qi,Jingfu Song,Gai Zhao,Jiaxin Yu,Yafeng Zhang,Hongtu He,Jianping Lai

In order to explore the friction and wear mechanisms of polyimide with metal, this work addressed the tribological properties of the polyimide with different molecular structures in a wide temperature range. It was found that the incorporation of fluorine and sulfur atoms into polyimide had a significant effect on their mechanical and tribological properties. Generally, the wear rates of FPI and SPI are much higher than PI, and FPI displays the worst friction coefficient. To deeper reveal the fundamental reasons, the FTIR, XPS, EDS, SEM characterizations were carried out combined with molecular dynamic simulation. The calculation results from the Molecular Dynamics model between PI and Fe showed that the interaction potential energy of SPI and FPI was larger than that of PI due to the polarization of F and S. Judged from the structures of transfer film, SPI and FPI was easily adhered on the surface of counterpart, even chemical reaction. The XPS analysis further confirmed the possibility of tribo-chemical reactions between SPI/FPI and Fe. This study will provide the theoretical guidance for other polymer molecular design and its tribological research.

研究领域: 材料科学 · 摩擦学
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Journal of Materials Chemistry A · 2023 ·Vol. 11 ·期 11 ·5636-5644 · IF 11.9

Tuning the LiF content in the SEI by engineering the molecular structures of porous organic polymers for solid-state lithium metal batteries

Shi Zhou,Yiting Zhu,Haoran Hu,Chenghan Li,Jie Jiang,Jianyu Huang,Biao Zhang

LiF, which is considered as a key component of the solid electrolyte interface (SEI), can promote the uniform deposition of lithium. However, excessive LiF will limit the transport of lithium ions (Li+) in the SEI, resulting in low coulombic efficiency and lithium dendrite growth. Regulating the LiF concentration in the SEI is challenging but critical to the development of solid-state lithium metal batteries (SSLMBs). Herein, we synthesized porous organic polymers (POPs) that can be flexibly modified at the molecular level. These modified POPs (denoted as POPs-X-FP, X = 2, 3, 4) are added into a PEO electrolyte as fillers to form composite solid electrolytes (denoted as CSE-X-FP, X = 2, 3, 4, respectively). CSE-X-FP have different catalytic decomposition capabilities of TFSI− anions in the electrolyte due to the different fluorine atom substitution positions on the benzene ring of the POPs. Consequently, the LiF concentration in the SEI can be optimized by tuning the fluorine atom substitution positions on the benzene rings of the POPs to boost the performance of PEO based ASSLMBs. Using the LiF optimized SEI, the LiFePO4(LFP)//CSE-4-FP//Li full cell delivered a long cycle life of 1200 cycles with an initial capacity of 160.7 mA h g−1 at 0.5C. This study provides a new strategy to regulate the LiF content in the SEI layer to boost the performance of SSLMBs.

研究领域: 材料科学 · 电化学
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