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ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES · 2024 · IF 0.3

Crystal structure of poly[(μ4-(3-amino-1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ 4 N:O:O':O')(1-methylpyrroldin-2-one-κ1O)dicopper(II)] – 1-methylpyrroldin-2-one (1/3), C40H48Cu2N12O12

Yu-Pei Xia,Yu-Xin Huang

C 40 H 48 Cu 2 N 12 O 12 , monoclinic, P 2 1 / n (no. 14), a  = 10.9519(1) Å, b  = 17.4351(2) Å, c  = 24.4288(3) Å, β  = 102.143(1)°, V  = 4560.25(9) Å 3 , Z  = 4, R gt ( F ) = 0.0647, w R ref ( F 2 ) = 0.1904, T  = 120 K.

CAS / MDL: 64-17-5 10125-13-0
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Journal of Materials Chemistry A · 2024 ·Vol. 12 ·期 10 ·6014-6027 · IF 10.7

Insight into the rapid degradation of antibiotic rifampicin by W-doped O-bridged g-C3N4via the coupling effect of electron replenishment in the dark degradation stage and electrophilic attack in the photocatalytic stage: experiments and DFT simulation calculations

Panpan Li,Jingde Luan,Longde Jiang,Yu Zhang,Wengang Liu,Zheng Yan,Xin Ke

High pressure wet ball milling and thermal polycondensation are used to prepare W-doped O-bridge carbon nitride (WOCN) for the rapid catalytic degradation of antibiotic rifampicin (RIF). The removal of rifampicin at a concentration of 150 mg L−1 in a dark environment reached 60% within 8 minutes and 92% after 40 minutes of visible light exposure. The rapid catalytic degradation of RIF benefits from the coupling effect of dark degradation with photocatalytic degradation, including the electron replenishment theory of dark degradation and the electrophilic attack under light irradiation. In the dark degradation reaction, the abundant delocalized electrons at the tungsten-oxygen insertion surface are captured by the dissolved oxygen to produce ˙O2−, part of which directly participates in RIF degradation, whereas the other part is oxidized to 1O2 by the holes at the carbon-rich cyano group surface and then participated in RIF degradation. The electrons consumed at the reaction site are continuously replenished through the O electron bridge, allowing RIF degradation to continue. In the photocatalytic degradation reaction, photogenerated electron holes are excited using visible light, which partly participate in the degradation of RIF through the above dark reaction pathway. Meanwhile, some photogenerated holes oxidize OH− to ˙OH and degrade RIF by electrophilic attack.

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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2024 · IF 5.7

Comparative Investigation of Aroma-Active Volatiles in (“Ruixue”, “Liangzhi”, “Crystal Fuji,” and “Guifei”) Apples by Application of Gas Chromatography–Mass Spectrometry–Olfactometry (GC–MS–O) and Two-Dimensional Gas Chromatography-Quadrupole Mass Spectrometry (GC × GC-qMS) Coupled with Sensory Molecular Science

Ning Ma,Jiancai Zhu,Heng Wang,Michael C. Qian,Zuobing Xiao

Aroma dramatically impacts the overall flavor profiles and consumer acceptance; therefore, it is necessary to conduct a comprehensive analysis of the aroma characteristics of apples. In this study, the aroma differences among four popular apple varieties (“Ruixue”, “Liangzhi”, “Crystal Fuji,” and “Guifei”) were compared using two extraction methods (headspace-solid phase microextraction, and solvent-assisted flavor evaporation) coupled with gas chromatography–mass spectrometry–olfactometry (GC–MS–O) and two-dimensional gas chromatography-quadrupole mass spectrometry (GC × GC-qMS). A total of 82 odorants were identified via GC–MS–O, and 143 volatiles were identified by GC× GC-qMS. Among them, 41 key aroma-active compounds (butanal, ethyl acetate, 3-methylbutanal, methyl butanoate, 2-methylpropyl acetate, ethyl 2-methylbutanoate, ethyl 3-methylbutanoate, butyl acetate, hexanal, 2-methylbutyl acetate, 1-butanol, 2-methylpropyl butanoate, 3-methylbutyl acetate, (E)-2-hexenal, butyl butanoate, butyl 2-methylbutanoate, hexyl acetate, hexyl butanoate, hexyl, 2-methylbutanoate, 1-octen-3-ol, 3-methylthiopropanol, 1,3-octanediol, linalyl acetate, and so on) with high odor activity values (OAVs) and AI value (odor activity values ≥1 or aroma intensity ≥3) were identified. Partial least-squares-discriminant analysis showed that Ruixue exhibited a high “fruity” note, Guifei and Crystal Fuji had the greatest “wood,” “floral,” and “sweet” notes, while Liangzhi presented a significant “green” note. This study provided flavor chemistry support for the apple quality control and production.

CAS / MDL: 539-90-2
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Chem & Bio Engineering · 2026 ·Vol. 3 ·期 4 ·470-477 · IF 8.4

Direct Regeneration of Spent LiNi<sub>0.8</sub>Co<sub>0.1</sub>Mn<sub>0.1</sub>O<sub>2</sub> into Ce-Doped Single-Crystal Cathodes.

Shao Y,Hao S,Liu F,Kong Y,Ji H,Xie Z,Liao Y,Liu W,Huang Y,Yuan L.

The widespread deployment of lithium-ion batteries (LIBs) is driving a steep rise in end-of-life batteries, heightening resource and environmental burdens and underscoring the need for efficient recycling. Direct regeneration, with its simplified processing, offers a practical alternative to conventional pyrometallurgical and hydrometallurgical routes. Herein, we directly regenerate spent polycrystalline LiNi 0.8 Co 0.1 Mn 0.1 O 2 (S-NCM811) into single-crystal cathodes with uniformly distributed Ce through mechanical deagglomeration-assisted eutectic molten salt regeneration. Lithium is replenished through fast ionic transport in the molten salt, while the surface NiO rock salt phase is relithiated and reconstructed into the layered structure. Notably, Ce doping expands the interlayer spacing and enhances the structural stability of regenerated LiNi 0.8 Co 0.1 Mn 0.1 O 2 (R-NCM811). In situ X-ray diffraction and electrochemical impedance spectroscopy confirm that Ce-doped single-crystal R-NCM811 alleviates H2→H3 lattice distortion and maintains lower charge-transfer resistance. As a result, R-NCM811 exhibits improved electrochemical performance, delivering 159.5 mAh g -1 at 5 C and retaining 88.17% of its capacity after 300 cycles at 1 C. This work establishes a viable upcycling strategy for regenerating single-crystal cathodes and provides a practical pathway toward more sustainable battery recycling.

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IEEE TRANSACTIONS ON ELECTRON DEVICES · 2024 · IF 2.9

Thermionic Electron Emission Capacity of the Ba $_{\text{3}}$ ScGa $_{\text{2}}$ O $_{\text{7.5}}$ Impregnated Cathode

Chenning Wang,Xiaoyu Zhou,Tianqi Jiang,Zhenrui Xu,Esmond A. Balfour,Hao Fu

The high content of Ba and Sc in Ba $_{\text{3}}$ ScGa $_{\text{2}}$ O $_{\text{7.5}}$ and its suitable melting point suggest that it is a candidate for thermionic emission in vacuum electron devices. To study its electron emission capacity, this compound was synthesized at 1300 $^{\circ}$ C by a high-temperature solid-phase method with the stoichiometric mole ratio of BaCO $_{\text{3}}$ :Sc $_{\text{2}}$ O $_{\text{3}}$ :Ga $_{\text{2}}$ O $_{\text{3}}$ $=$ 6:1:2. The test cathode impregnated with this material had a high emission capacity with the full-space charge current density of 10.2 A/cm $^{\text{2}}$ at 850 $^{\circ}$ C in the dc mode. The sintered mixture of the compound and tungsten powder reveals that the formation of Ba $_{\text{3}}$ Sc $_{\text{2}}$ WO $_{\text{9}}$ on the cathode surface leads to reduced work function and thus enhanced emission performance. The titled compound is environmentally stable with a low weight gain percentage (4.51%) and a steady phase in the air for 288 h. Coupled with the high emission current density at low temperatures, the cathode impregnated with Ba $_{\text{3}}$ ScGa $_{\text{2}}$ O $_{\text{7.5}}$ compound has superior thermionic cathode properties and promising applications in vacuum electron devices.

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