JOURNAL OF FLUORESCENCE
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2025
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IF 3.1
Ksenofontov Alexander A.,Berezin Michail B.,Bocharov Pavel S.,Khodov Ilya A.,Miloshevskaya Olga V.,Antina Elena V.
The search for fluorophores with intense absorption and emission in the red region of the spectrum is an important task, as such compounds can be used in fluorescence imaging, providing high image resolution due to the deep penetration of low energy photons into tissues. In this paper, we present the results of the synthesis and photophysical characterization of a novel ms -benzimidazole-4,4′,5,5′-tetramethyldipyrromethene bis (difluoroborate) ( BOIMPY ) compound, which exhibits intensive absorption and emission in the long-wavelength region while maintaining high fluorescence quantum yields (up to 60%). Using DFT analysis, we investigated the geometry of BOIMPY in both ground and excited states and described the influence of the molecular structure on its practically relevant photophysical properties.
研究领域:
化学
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材料科学
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生物医学工程
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DOI
PubMed
高影响因子
CHEMOSPHERE
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2024
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IF 8.1
Fengtao Hu,Shunyan Ning,Zengzhiqiang Li,Hao Zhu,Toyohisa Fujita,Xiangbiao Yin,Lifeng Chen,Deqian Zeng,Mohammed F. Hamza,Yuezhou Wei,Xinpeng Wang
A MOF-on-MOF composite derivative material named ZIF-67@Ce-MOF-600 was designed and synthesized. The preparation of ZIF-67@Ce-MOF-600 was optimized from the aspects of the ratio of metal and ligand, heat-treatment temperature. It was demonstrated by XRD , FT-IR, SEM-EDS and TEM . The optimum conditions for the activation of PMS by ZIF-67@Ce-MOF-600 for the degradation of tetracycline (TC) were investigated by adjusting the catalyst dosage, TC, pH, peoxymonosulfate (PMS) concentration, and different kinds of water, co-existing anions and pollution. Under optimal conditions (20 mg catalysts and 50 mg PMS added) in 100 mL of tetracyclines (TC) solvent (20 mg TC/L), the removal rate could reach up to 99.2% and after five cycles was 70.5%. The EPR results indicated the presence of free radicals and non-free radical, among which free radicals intended to play a major role in the degradation process. Its possible degradation pathways and attack sites were analyzed by liquid-phase mass spectrometry and DFT analysis.
研究领域:
环境科学
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材料科学
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化学
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产品关联
DOI
PubMed
高影响因子
ACS Applied Materials & Interfaces
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2024
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IF 8.3
Muhammad Kashif Naseem,Mian Azmat,Changliang Du,Muhammad Ismail,Hajra Baig,Rong Jiang,Asif Ali,Meishuai Zou,Youqi Zhu,Chuanbao Cao
Vanadium tetrasulfide (VS4) is one of the most promising cathodic materials for rechargeable magnesium battery systems (RMBSs). Elemental substitution to expand layers, creation of sulfur vacancies, and reduction of particle sizes of VS4 are undoubtedly effective strategies to enhance cathodic performances. Experimental and DFT analysis revealed that valence states of vanadium and cobalt have been elevated from V2+ to V3+ and Co2+ to Co3+ in VS4 and that the Co–S bond length shortened due to cobalt substitution, which resulted in enhanced overall internal polarization in the layered atomic structure of VS4 by increasing cobalt concentrations. This phenomenon of charge accumulation contributes toward regulated magnesiation and accommodated volume expansion while cycling, resulting in the enormous structural stability of VS4 and sustainable battery performance during a long and stable cycling at a cost of 20% capacity diminution as compared to pristine VS4 in RMBS. Hence, 9% CoVS4 demonstrated a capacity of 158 mAh g–1 at a current density of 500 mA g–1 with approximately 98% capacity retention after 1000 cycles. Sustainable cathodic performance is the most desirous feature for commercialization. This work provides insight realization regarding structural limitations and opportunities of VS4 for sustainable cathodic performances in RMBS with non-nucleophilic 0.25 mol/L (R-PhOMgCI)2-A1Cl3/THF (PMC) electrolyte and has laid a theoretical plus experimental foundation for future developments.
研究领域:
材料科学
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电化学
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电池技术
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产品关联
DOI
PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2025
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IF 13.2
Yuerui Ma,Peng Chen,Jiazhen Liao,Xing’an Dong,Wenjie He,Wendong Zhang
Selective photocatalytic oxidation of NO to nitrate (NO 3 – ) over toxic NO 2 remains challenging due to low selectivity and inefficient charge migration in existing systems. This study introduces Fe 3+ as an electron acceptor beneath a Bi 4 TaO 8 Cl/Bi 2 O 2 CO 3 heterojunction to precisely regulate electron pathways and promote targeted hydroxyl radical ( • OH) generation. Combined experimental and DFT analyses reveal Fe 3+ ’s dual role: enhancing interfacial electron transfer and activating H 2 O at surface sites to form • OH. The optimized heterojunction achieves 68.19 % NO conversion with minimal NO 2 selectivity (10.98 %). ESR and ROS quenching confirm Fe 3+ -driven electron migration enriches surface holes, boosting H 2 O adsorption and • OH production (2.76-fold increase). The strong oxidation capacity of • OH suppresses NO 2 formation, favoring complete NO oxidation to NO 3 – . This work provides a strategic approach for selective NO removal by electron-pathway engineering, advancing the design of eco-friendly photocatalysts for air pollution control.
研究领域:
环境化学
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光催化
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材料科学
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化学工程
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大气污染控制
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产品关联
DOI
高影响因子
ACS Applied Materials & Interfaces
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2025
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IF 8.2
Ze Li,Yidan Fu,Lina Han,Pengfei Zheng,Xiaoyuan Zeng,Peng Dong,Jing Feng,Yingjie Zhang
The insufficient d-electron density in V metal atoms limits O2 dissociation, constraining the kinetics and activity of the oxygen reduction reaction and the oxygen evolution reaction in VN-based catalysts. Herein, Co dopant was employed to modulate the electronic characteristics of the d-orbitals and associated free energy of VN, thereby further enhancing its catalytic activity. XPS and XANES spectra revealed that Co atoms replaced V and strongly bonded with neighboring N atoms, effectively regulating the local electronic structure. DFT analysis show that the Co doping strategy effectively regulates the adsorption/desorption equilibrium of oxygen reduction reaction intermediates through d-electron transfer to V atoms, while significantly lowering the activation energy barrier of the rate-determining step. Electrochemically, V0.95Co0.05N/NC/C achieved a low bifunctional index (ΔE = 0.78 V), with a half-wave potential for the ORR of 0.83 V and an OER overpotential of 380 mV at 10 mA cm–2. In Zn-air batteries, it achieved a high specific capacity (708.98 mAh gZn–1) and retained 88% initial voltage after 280 h cycling, demonstrating robust stability for practical applications. This study presents a doping strategy to modulate d-band centers in transition metal nitrides for energy conversion devices.
研究领域:
电化学
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材料科学
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能量转换
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催化
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纳米技术
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电池技术
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产品关联
DOI
PubMed
高影响因子
Journal of Cleaner Production
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2025
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IF 10
Lehang Liang,Weixin Kong,Zhiyuan Dong,Xinling Zhong,Tao Song,Tao Wang,Mengxiang Fang,Wei Li,Sujing Li
Chemical absorption using amine blends is a viable strategy for energy-efficient post-combustion CO 2 capture. Conventional amines suffer from high regeneration energy due to carbamate formation, whereas bicarbonate pathways offer thermodynamic benefits yet remain mechanistically unresolved. Herein, we developed a novel aqueous ternary amine blend, APH (7.5 wt% 2-amino-2-methyl-1-propanol, AMP/7.5 wt% piperazine, PZ/15 wt% 4-hydroxy-1-methylpiperidine, HMPD) that leverages molecular synergy to shift CO 2 absorption toward bicarbonate dominance. APH achieved absorption rate of 30 wt% MEA (0.00206 mol⋅min −1 ) while exhibiting a 175 % higher stabilized cyclic capacity (0.553 mol⋅mol −1 ) over five regeneration cycles. Combined 13 C NMR and DFT analyses revealed three synergistic bicarbonate-forming pathways: steric hindrance-induced carbamate hydrolysis, promoter-derived stepwise carbamate hydrolysis, and tertiary amine-catalyzed CO 2 hydration. Optimized AMP/PZ/HMPD ratios delivered 41 % lower regeneration energy (2.32 GJ⋅t −1 CO 2 ), low corrosion (0.0358 mmpy), and enhanced oxidative stability (88 % retention after 14 days). These advances stem from a molecular design approach correlating structural features with intermolecular synergies for pathway modulation. The APH blend thus emerges as a promising candidate for industrial applications.
研究领域:
化学工程
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环境科学
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材料科学
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物理化学
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工业化学
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产品关联
DOI
高影响因子
Computational and Theoretical Chemistry
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2025
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IF 2.8
Xianliang Gong,Yue Zhang,Zhouyu Jiang,Cunbin Du,Arshad Khan,Rabia Usman
Charge transfer (CT) cocrystals formed via non-covalent interactions play a pivotal role in governing their optical behaviors. A CT cocrystals were synthesized using 1,2,4,5-tetracyanobenzene (TCNB) as the electron acceptor and chalcone (E)-3-(anthracen-9-yl)-1-(pyridin-3-yl)prop-2-en-1-one (A3BPO) as the electron donor. Structural analysis through single-crystal X-ray diffraction (SC-XRD) unveiled that this cocrystal predominantly comprise a mixed stacking arrangement guided by face-to-face π···π interactions, with the overall stability of CT cocrystal stacking bolstered by auxiliary hydrogen bonds. The relationship between structure and properties was scrutinized using various analytical techniques including Powder X-ray diffraction (PXRD), FT-IR, UV–visible absorption, and fluorescence spectroscopy. Density functional theory (DFT) simulations elucidated that the modified optical properties primarily stem from CT between acceptor and donor. These findings contribute significantly to a clearer understanding of how stacking modes in CT cocrystals influence the interplay between CT and optical properties.
研究领域:
材料科学
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物理化学
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晶体工程
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光学材料
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理论化学
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有机电子学
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产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2025
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IF 13.2
Miaoling Chen,Yu Chen,Zhengyuan Zhou,Purui Lin,Minhua Su,Jiacheng Min,Kaimin Shih,Ying Zhou
Radioactive strontium (Sr 2+ ) and cobalt (Co 2+ ) in nuclear wastewater pose significant environmental risks, leading the need of developing effective remediation strategies. In this study, a poly (triazine imide) (PTI) composite intercalated with bromide (Br − ), referred to as PTI/LiBr, synthesized via a molten salt method, is introduced as a novel adsorbent for the removals of Sr 2+ and Co 2+ . PTI/LiBr composite exhibited rapid adsorption and high efficiency for both radionuclides, driven by electrostatic interactions and partial exchange of Li + ions. The removal efficiency for Sr 2+ and Co 2+ exceeded 95 % within 30 min. Adsorption kinetics followed a pseudo-second-order model, while isotherm analysis indicated that Sr 2+ adsorption aligned with the Freundlich model and Co 2+ adsorption followed the Langmuir model. The adsorption process was confirmed to be spontaneous and endothermic. The γ-radiation tolerance tests verified the structural stability and high adsorption efficiency of the material under ionizing radiation conditions. Additionally, DFT-based wave function and charge density analyses showed a stronger and more stable interaction between PTI/LiBr and Co 2+ compared to Sr 2+ , which might be driven by favorable magnetic interactions and significant charge transfer. This study highlights the potential of PTI/LiBr as a robust and efficient adsorbent for mitigating radioactive pollutants in complex aqueous environments.
研究领域:
环境科学
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材料科学
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核废物处理
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吸附技术
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化学工程
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放射化学
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水污染控制
✓ 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）