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ELECTROCHIMICA ACTA · 2024 · IF 5.5

Porous-structured FeS2@C nanoparticles prepared from spent LiFePO4 cathodes with excellent rate performance for potassium-ion batteries

Menghang Sun,Xinyu Zhou,Lili Li,Bo Wen,Yunzi Miao,Xiaofeng Liu,Wei Yan,Guorui Yang,Shujiang Ding

Recycling spent cathode materials is crucial for sustainably developing lithium-ion battery technology. To achieve the high-value utilization of spent LiFePO 4 (LFP) cathodes, this paper proposes a method for preparing MIL-100(Fe) based on solid waste residues from spent LFP cathodes. R-FeS 2 @C derived from MIL-100(Fe) can serve as an anode material for potassium-ion batteries featuring a porous structure. Electrochemical tests demonstrate that the R-FeS 2 @C exhibits more stable cycling performance compared with the FeS 2 @C derived from the traditional MIL-100(Fe), reaching 525 mAh g −1 after 100 cycles at a current density of 100 mA g −1 . Impressively, R-FeS 2 @C also showcases excellent rate performance (343 mAh g −1 specific capacity at 5 A g −1 ). Furthermore, full cells assembled with PI@rGO cathodes also exhibit excellent rate performance and stable cycling performance. The porous structure of R-FeS 2 @C provides numerous voids to accommodate volume changes and introduces sufficient channels for electrolyte penetration. The higher carbon content enhances the electrical conductivity improving the kinetics of the K + migration reaction. These researches can provide guidance for the recycling of spent lithium-ion batteries and the design of sulfide electrodes for PIBs.

研究领域: 材料科学 · 能源存储技术 · 环境工程
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MICROCHEMICAL JOURNAL · 2022 · IF 5.304

A direct and rapid method for determination of total iron in environmental samples and hydrometallurgy using UV–Vis spectrophotometry

Fei Cheng,Taiming Zhang,Chunhua Yang,Hongqiu Zhu,Yonggang Li,Tao Sun,Can Zhou

To determine the total iron concentration in aqueous solutions containing complexing matrix, a direct and rapid ultraviolet–visible spectroscopy determination method was developed using the Nitroso R salt as a chromogenic reagent. In the presence of NaI and CTMAB, the experiment shows that Nitroso R salt-Fe complex can produce a significantly sensitive and selective absorbance peak at 710 nm with no notable time for sensing. The experimental factors that affect the procedure such as temperature, acidity and dosages of various reagents were analyzed and optimized. Under the optimized experimental conditions, the limit of detection and limit of quantification of the method was 4.5 × 10 −8 and 1.5 × 10 −7   mol/L. The calibration curve was obtained in a wide linear range of 1.5 × 10 −7 -6.4 × 10 −5 mol/L with good linearity (R 2  = 0.9989). The method was free of any interference with common ions and can determine the iron content in the complex matrix of aqueous samples. The methodology was further validated by the certified reference water samples used for environmental monitoring and agreed with the ICP-OES spectrophotometry results. Compared with the conventional method, the relative standard deviations of the spike test in various actual samples were in the range of 0.31%-2.9% ( n  = 5). Good recoveries between 96.4% and 107% were obtained. The proposed method provides great promise for application in-field analysis of iron content in various environmental samples and hydrometallurgical solutions owing to its high sensitivity, low cost, good reproducibility, and no need for any complex pretreatment.

研究领域: 分析化学 · 环境科学 · 冶金工程
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JOURNAL OF MATERIALS SCIENCE · 2024 ·Vol. 59 ·期 6 ·2258-2272 · IF 3.5

Perovskite-type RCoO3 (R = Pr, Eu, Gd) nanofibers for supercapacitor electrodes and antiferromagnet

Luo Hanqiong,Hu Quanli,Yue Bin,Du Suxuan

Rare earth orthocobaltates nanofibers (PrCoO 3 , EuCoO 3 , and GdCoO 3 ) were prepared by a simple electrospinning method coupled with calcination. The PrCoO 3 , EuCoO 3 , and GdCoO 3 nanofibers have orthorhombic perovskite structure. The fabricated electrodes presented the typical pseudocapacitive characteristics, which originated from the reversible redox reactions of Co 2+ /Co 3+ and Fe(CN) 6 3− /Fe(CN) 6 4− . At 1 A g −1 , the specific capacitances of the PrCoO 3 , EuCoO 3 , and GdCoO 3 nanofibers were 119, 133, and 196 F g −1 , respectively. The electrochemical characteristics of the PrCoO 3 , EuCoO 3 , and GdCoO 3 nanofibers exhibited favorable specific capacitance, good long-term cycling stability, and high coulombic efficiency, proving the possible application into energy storage devices. PrCoO 3 and EuCoO 3 nanofibers exhibited a magnetic state transition from paramagnetic to antiferromagnetic state. GdCoO 3 nanofibers showed a paramagnetic ordering at high temperature. The cooperation of the R 3+ ions and the Co 2+ ions contributed to the magnetism of rare earth orthocobaltates nanofibers. The antiferromagnetic behaviors of the fabricated samples confirm the potential application into spin-electronic devices.

研究领域: 材料科学 · 电化学 · 纳米技术 · 固态物理 · 能量存储
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JOURNAL OF INFORMATION SCIENCE · 2018 · IF 1.939

SOLD: A node-Splitting algorithm for R-tree based on Objects’ Locations Distribution

Esam Al-Nsour,Azzam Sleit,Mohammad Alshraideh

Spatial data indexing methods are of extreme importance as they massively build up as a result of the explosive growth in capturing data with spatial features. No matter how much the data size is, eventually it will reside on disk pages. Disk pages have to be properly indexed to preserve spatial properties of objects, optimise disk space usage and improve objects’ retrieval performance. One of the most popular spatial data indexes is the R-tree which is a height balanced tree data structure, where leaf nodes resemble disk pages and contain pointers to objects’ locations. A single tree node can host up to a maximum number of objects, where any more insertion makes it an overflown node and it has to be split. Better splits lead to better index performance and more utilisation of disk space. In this work, we introduce a new way of finding the most proper split for an overflown node in the R-tree index. The proposed work scans – in a linear cost – the overflown node’s objects once to identify the distribution of objects’ locations (minimum bounding rectangles (MBRs)) in relative to its node’s bounding rectangle (node’s MBR). It uses objects’ locations to calculate – for each main axis – the split quality factors: expected overlap between resulting nodes, objects distribution evenness among resulting nodes and the perimeter of resulting nodes. The axis with better combined quality factors values is selected as the split axis. The Splitting based on Objects’ Locations Distribution (SOLD) algorithm was implemented and tested against two other splitting algorithms, experiments using synthetic and real data files showed good results and it outperformed both algorithms in index creation tests and data retrieval tests.

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JOURNAL OF MOLECULAR STRUCTURE · 2026 · IF 4.9

Myrosurroles A-R, sulfonamide-pyrrole hybrids from Myrothecium verrucaria with acetylcholinesterase inhibitory activity

Zhenzhen Zhang,Miaomiao Chai,Wei Li,Zhenhui Wang,Xueqian He

Eighteen new sulfonamide-pyrrole derivatives were isolated from a fungus. • New compounds were elucidated by a combination of NMR, HRESIMS and X-ray. • Six compounds showed promising acetylcholinesterase inhibitory activity. Eighteen new sulfonamide-pyrrole derivatives, designated myrosurroles A-R ( 1 - 18 ), were obtained via a late-stage functionalization strategy employing precursor-directed biosynthesis. This was achieved by supplementing cultures of the wetland-derived fungus Myrothecium verrucaria HPU-ZMN with sulfanilamide derivatives. The structures of new compounds were elucidated by NMR, HRESIMS, and X-ray crystallographic analysis. Myrosurroles represent the first compounds featuring a sulfonamide-pyrrole hybrid backbone obtained via a chemobiological approach. Six compounds ( 4, 5 , and 8-11 ) displayed promising acetylcholinesterase (AChE) inhibitory activity, with IC₅₀ values ranging from 1.58 to 4.79 μ M, demonstrating potency on the same order of magnitude as the positive control, donepezil (IC₅₀ = 1.08 μ M). Download: Download high-res image (227KB) Download: Download full-size image

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Journal of Materials Chemistry A · 2026 · IF 9.2

Modulating the properties of 4-R-1,5-diaminotetrazolium pentazolate salts by substituent effects

Zhiyu Jin,Lei Chen,Jiayu Li,Xiang Chen,Pengxiang Gao,Jiuxiang Sun,Chong Zhang,Bingcheng Hu

Substituent effects play a pivotal role in modulating the properties of organic ionic compounds through the synergistic electronic and steric effects. The substituent effect is one of the core theoretical foundations for studying structure–property relationships in materials science and organic chemistry. However, in-depth examination of the substituent effects on significant cyclo-pentazolate anion (cyclo-N5−) salts has not been studied. Herein, to explore how different substituents (R) in 4-R-1,5-diaminotetrazolium cations affect the properties of their cyclo-N5− salts, four types of cyclo-N5− salts bearing distinct substituents (−CH3, –CH2COCH3, –CH2CONH2, and –CH2COOCH3) were designed and synthesized. Analysis using X-ray single-crystal diffraction indicates that the crystal structures of these salts vary significantly based on the substituents. Among them, the cyclo-N5− salt with the –CH3 substituent exhibits optimal crystal density and stability. The –CH2CONH2 group improves crystal stability via increased hydrogen-bonding capacity. In contrast, –CH2COCH3 and –CH2COOCH3 lead to reduced stability and crystal density due to larger steric bulk and lack of hydrogen-bonding interactions. Additionally, Hirshfeld surface analysis and fingerprint plots were employed to investigate the interionic interaction regions, revealing extensive van der Waals interactions and the formation of N–H⋯N hydrogen bonds. The cyclo-N5− salt with the –CH3 substituent displays the highest detonation performance (D: 8811.47 m s−1; P: 26.94 GPa), which benefits from a higher enthalpy of formation.

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JACS Au · 2025 · IF 8.7

Superconductivity in Electrochemically Intercalated R/S-CTA–SnSe2 by Using Chiral Piezoelectric Precursors

Hui-Peng Lv,Yong Ai,Wei Hu,Yuqin Susan Xiong,Yan-Ran Weng,Xian-Jiang Song,Yan Qin,Wei-Qiang Liao,Ren-Gen Xiong

Molecule intercalation has shown distinct advantages in modulating the superconducting properties of 2D materials. Chiral molecule intercalation provides a strategy for tuning electronic properties, while this approach has been limited to a few 2D materials such as TaS2 and TiS2. Although extensive research on 2D SnSe2 exists, chiral molecule intercalation in SnSe2 remains unexplored. Herein, we report the first successful electrochemical intercalation of chiral CTA cations (CTA = 3-chloro-2-hydroxypropyltrimethylammonium) into SnSe2 by using piezoelectric R/S-CTA-Cl with a large piezoelectric coefficient of approximately 24 pm/V as the precursors, leading to the formation of superconductors R/S-CTA–SnSe2. Characterization techniques, including powder X-ray diffraction, Raman spectroscopy, and circular dichroism spectroscopy, confirm a significant lattice expansion in SnSe2 and the successful intercalation of chiral CTA cations, while polar R/S-CTA-Cl does not endow R/S-CTA–SnSe2 with piezoelectric/ferroelectric properties. Magnetic susceptibility and electrical transport measurements reveal that the intercalated R/S-CTA–SnSe2 materials exhibit a superconducting transition at around 5 K. Notably, the distinct out-of-plane and in-plane upper critical magnetic fields demonstrate the 2D nature of the intercalated compounds. This work highlights an approach for designing and tailoring superconducting materials through chiral cation intercalation and opens avenues for further exploration of chiral effects in superconductors.

CAS / MDL: 20770-09-6
研究领域: 材料科学 · 凝聚态物理 · 纳米技术 · 电化学 · 固体物理
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CHEMISTRY OF NATURAL COMPOUNDS · 2019 ·Vol. 55 ·期 6 ·1080-1084 · IF 0.567

Synthesis and Antitumor Activity of C-3(R) Hydroxy Modified Betulinic Acid Derivatives

Yu Pan,Li Dong-dong,Ni Jun-jun,Xia Chao-jie,Wang Zhen-zhong,Xiao Wei,Ding Gang,Zhao Lin-guo

Four novel betulinic acid (BA) derivatives modified at the C-3 position were prepared by the Mitsunobu reaction and subsequently evaluated for antitumor activity against four common cancer cell lines in vitro. The results from the MTT assay revealed that the four tested compounds showed remarkable cytotoxic activity against four cancer cell lines, much better than BA. Western blotting results indicated that the four compounds, especially compound 2c , caused a significant up-regulation expression of the caspase-12 in CT26 cell. Our results showed that configuration inversions of chiral C-3 of BA could also produce BA derivatives with potent antitumor activity.

研究领域: 药理学 · 肿瘤学 · 有机化学
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FOOD CHEMISTRY · 2015 · IF 3.391

Identification and quantification of phenolics in Australian native mint (Mentha australis R. Br.)

Kitty S.C. Tang,Izabela Konczak,Jian Zhao

Australian native mints have traditionally been used by the aboriginal people for natural remedies; however, their bioactive components have not been studied. Antioxidant capacity and composition of phenolic compounds of Mentha australis R. Br., Lamiaceae were investigated for the first time. Phenolic compounds were analyzed by HPLC photodiode array detector, liquid chromatography high resolution mass spectrometry, tandem mass spectrometry and nuclear magnetic resonance spectroscopy. Aqueous methanolic extract of the mint exhibited comparable antioxidant capacity to the common spearmint. Major compounds identified in the extract were rosmarinic acid (160.4   ±   0.85   μg   mg −1   purified extract), neoponcirin (145.0   ±   0.42   μg   gallic   acid   equivalent   (GAE)   mg −1 ), narirutin (30.3   ±   0.02   μg   GAE   mg −1 ), chlorogenic acid (15.4   ±   0.05   μg   mg −1 ) and biochanin A (9.6   ±   0.06   μg   GAE   mg −1 ), while minor compounds were caffeic acid, apigenin, hesperetin and naringenin. Neoponcirin and biochanin A were identified for the first time in the Mentha genus.

研究领域: 植物化学 · 药用植物学 · 分析化学
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SENSORS AND ACTUATORS B-CHEMICAL · 2016 · IF 4.758

A novel Au/r-GO/TNTs electrode for H2O2, O2 and nitrite detection

Shan Huang,Zhichun Si,Xuankun Li,Jinshuo Zou,Youwei Yao,Duan Weng

Au nanoparticles and reduced graphene oxide (r-GO) co-modified TiO 2 nanotube arrays (TNTs) were prepared by a facile and green strategy based on the electro-deposition technology for detecting H 2 O 2 , O 2 and nitrite. As-prepared Au/r-GO/TNTs electrode was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The results clearly demonstrate that the successful attachment of r-GO sheets and narrow-range distribution of Au nanoparticles on TNTs . The reduced grapheme oxide sheet can help to improve the electronic conductive performance of TNTs and prevent the agglomeration of Au nanoparticles. Electrochemical studies reveal that the Au/r-GO/TNTs electrode exhibit excellent electrocatalytic performance toward the reduction of H 2 O 2 . Under the optimal experimental condition, the sensor has a quick response to H 2 O 2 at −0.3   V with a high sensitivity (1011.35   mA   M −1   cm −2 ), wide linear range (0.01–22.3   mM) and low detection limit (0.006   μM). In addition, the sensor also has good stability and excellent selectivity. Moreover, the established Au/r-GO/TNTs electrode also shows high sensitivities towards dissolved O 2 and nitrite ions, which has great potential for the development of electrochemical sensors, molecular bioelectronics devices and biosensors.

研究领域: 生物传感器 · 电化学检测 · 材料科学
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OPTICS EXPRESS · 2013 ·Vol. 21 ·期 13 ·15728-15733 · IF 3.546

Yellow-to-orange emission from Bi2+-doped RF2 (R = Ca and Sr) phosphors

Renping Cao,Fangteng Zhang,Chenxing Liao,Jianrong Qiu

RF2:Bi (R = Ca and Sr) phosphors were synthesized by solid state reaction method in air and their luminescence properties were investigated. Broad yellow-to-orange emissions peaking at ~550 nm (CaF2:Bi) and ~600 nm (SrF2:Bi) were observed under ~260 nm excitation. The emission centers inRF2:Bi (R = Ca and Sr) phosphors are Bi2+ ions, and the excitation and emission bands ofRF2:Bi (R = Ca and Sr) phosphors can be attributed to 2P1/2→2S1/2 and 2P3/2(1) →2P1/2 transitions of Bi2+ ions, respectively. The phosphors are promising for application in lighting due to broad yellow-to- orange emission.

CAS / MDL: 7789-75-5
研究领域: 材料科学 · 光学
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Microbial Biotechnology · 2021 ·Vol. 15 ·期 5 ·1486-1498 · IF 5.813

Design and engineering of whole-cell biocatalyst for efficient synthesis of (R)-citronellal

Baoqi Zhang,Han Du,Yanqiu Zheng,Jiale Sun,Yu Shen,Jinping Lin,Dongzhi Wei

Summary Bioproduction of optical pure ( R )-citronellal from ( E /Z)-citral at high substrate loading remains challenging. Low catalytic efficiency of ( R )-stereoselective ene reductases towards crude citral mixture is one of the major bottlenecks. Herein, a structure-based engineering strategy was adopted to enhance the catalytic efficiency and stereoselectivity of an ene reductase (OYE2p) from Saccharomyces cerevisiae YJM1341 towards ( E / Z )-citral. On basis of homologous modelling, molecular docking analysis and alanine scanning at the binding pocket of OYE2p, a mutant Y84A was obtained with simultaneous increase in catalytic efficiency and stereoselectivity. Furthermore, site-saturation mutagenesis of Y84 yielded seven mutants with improved activity and stereoselectivity in the ( E / Z )-citral reduction. Among them, the variant Y84V exhibited an 18.3% and 71.3% rise in catalytic efficiency ( k cat / K m ) for ( Z )-citral and ( E )-citral respectively. Meanwhile, the stereoselectivity of Y84V was improved from 89.2% to 98.0% in the reduction in ( E / Z )-citral. The docking analysis and molecular dynamics simulation of OYE2p and its variants revealed that the substitution Y84V enabled ( E )-citral and ( Z )-citral to bind with a smaller distance to the key hydrogen donors at a modified ( R )-selective binding mode. The variant Y84V was then co-expressed with glucose dehydrogenase from Bacillus megaterium in E . coli D4, in which competing prim -alcohol dehydrogenase genes were deleted to prevent the undesired reduction in the aldehyde moiety of citral and citronellal. Employing this biocatalyst, 106 g l −1 ( E / Z )-citral was completely converted into ( R )-citronellal with 95.4% ee value and a high space-time yield of 121.6 g l −1 day −1 . The work highlights the synthetic potential of Y84V, which enabled the highest productivity of ( R )-citronellal from ( E / Z )-citral in high enantiopurity so far.

CAS / MDL: 5392-40-5
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