JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Sai Li,Shiyu Zhang,Jia Tong,Xingxing Shi,Yue Xu,Jie Lu
The solubility and thermodynamic profile of anastrozole (I) were comprehensively examined across diverse solvent systems through equilibrium gravimetric measurements conducted between 283.15 and 323.15 K under ambient pressure. The measured solubility of anastrozole (I) showed a positive correlation with temperature. Subsequently, the experimental data were correlated using four thermodynamic models, namely, the van’t Hoff, modified Apelblat, RK-4, and λh models. The results indicated that all models can reproduce the experimental data with high accuracy, among which the Apelblat equation exhibited a superior fitting performance compared with the other models. Then, thermodynamic analysis based on the van’t Hoff and Gibbs equations indicated that the dissolution process of anastrozole (I) is endothermic and enthalpy-driven in all the studied systems. Moreover, FT-IR, PXRD, and TG-DSC analyses indicated that anastrozole (I) possessed a stable structure during the solubility experiments. Furthermore, molecular simulation results supported the experimental observations by indicating that hydrogen bonding and dispersion forces play key roles in solute–solvent interactions. The dissolution behavior was dependent on solvent polarity and the solvation free energy.
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Materials Today Chemistry
·
2026
·
IF 7.4
Mengjiao Zhao,Xianjie Xu,Sheng Huang,Xiuquan Gu,Wufan Xuan
The CsCu 2 I 3 /ZnO-heterojunction-based sensor enables H 2 S detection with a response value of 0.83 at 1 ppm, with response and recovery times of 240 s and 834 s. • The CsCu 2 I 3 /ZnO heterojunction improves structural stability and ensures continuous and stable sensor response. • The CsCu 2 I 3 /ZnO-heterojunction-based sensor achieves self‐calibration for different H 2 S concentrations with 99% detection accuracy. Hydrogen sulfide (H 2 S), a colorless and toxic gas, poses serious health risks upon prolonged exposure, including damage to respiratory and cardiovascular systems, which can be fatal in severe cases. Current H 2 S sensors suffer from limited response, particularly in detecting ultra‐low concentrations. To overcome this limitation, we developed a CsCu 2 I 3 /ZnO heterojunction‐based gas sensor via vacuum evaporation. This composite material enables highly responsive H 2 S detection at room temperature. The heterojunction not only improves structural stability but also ensures continuous and stable sensor response. At 1 ppm H 2 S, the sensor exhibits a sensitivity of 0.72, the response value of 0.83, the limit of detection (LOD) of 14.25 ppb, with response and recovery times of 240 s and 834 s, respectively. Furthermore, an intelligent calibration framework was developed by integrating Gramian Angular Summation Fields with the AlexNet algorithm, operating as a robustness enhancer. The sensor achieves self‐calibration for different H 2 S concentrations with 99.33% detection accuracy through 5-Fold Cross-Validation, significantly enhancing quantification capability. These results demonstrate the excellent potential of our CsCu 2 I 3 /ZnO-heterojunction-based sensor in H 2 S monitoring. The combination of responsive materials with machine learning offers a robust strategy for advancing ultra‐low concentration gas detection technologies.
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CARBOHYDRATE POLYMERS
·
2026
·
IF 13.2
Brahim El Allaoui,Tao Wu,Cheng Heng Pang
Cellulose beads are produced through dissolution–regeneration processes that are solvent- and water-intensive and disrupt the native microfibrillar organization by converting cellulose I to cellulose II. Here, we establish a dissolution-free chemomechanical pathway that converts lignocellulosic biomass into spherical cellulose assemblies via architecture-governed cell-wall remodeling and shear-driven consolidation. Six feedstocks spanning agricultural residues (date palm, rice straw, corn straw, soybean straw) and woody biomasses (pine and peach wood) were subjected to sequential alkaline extraction, oxidative bleaching, and high-shear agitation. Comparative compositional, structural, and morphological analyses reveal that successful spheronization does not depend solely on cellulose content but requires the formation of a deformable continuity-preserving fibrillar intermediate. In this state, partial matrix removal induces wall swelling and delamination while maintaining load-bearing connectors that enable fibrillar bending, entanglement, and densification under hydrodynamic shear. Date palm and rice straw satisfy these criteria and produce stable cellulose I beads with fiber-assembled interiors. In contrast, corn and soybean residues undergo excessive fragmentation into fines that disperse as pulps/flocs, whereas pine and peach wood retain stratified, locked wall domains and yield irregular, rigid fragments. These findings establish an architecture-based mechanistic framework and selection rules for solvent-minimal, dissolution-free manufacturing of cellulose beads directly from low-value lignocellulosic biomass.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2026
·Vol. 74
·期 33
·26115-26132
·
IF 6.7
Liu Songtao,Zhang Wanting,Zhu Xiyuan,Yang Ziyang,Yang Shuai,Li Linwei,Li Lianshan,Zhu Hong,Lei Renkai,Liu Yulan,Geng Yiming,Chu Xinyan,Li Wangyang,Xu Shu,Ouyang Bo,Wang Bi,Song Wei,Chen Yu,Feng Xu,Yan Jiaxing,Liu Fei,Zhang Feng
Fusarium head blight (FHB) is a devastating wheat disease
causing
yield losses and mycotoxin contamination. Phenamacril, a myosin I-targeting
fungicide, has a limited antifungal spectrum. Using structure-based
drug design focusing on M375 in Fusarium graminearum myosin I (FgMyoI), we synthesized 25 phenamacril derivatives. The II-2 emerged as the most potent inhibitor (EC 50 = 0.0077 mg/L against F. graminearum ), with broad-spectrum activity against various phytopathogens. Biochemical
and computational analyses confirmed that II-2 tightly
binds FgMyoI and inhibits its ATPase activity. In vivo tests demonstrated excellent protective and curative efficacy against
FHB in wheat and corn, while toxicity assays revealed low risk to
nontarget organisms. These results identify II-2 as a
promising myosin inhibitor and a novel candidate for FHB management.
This work also provides a foundation for the rational design of myosin-targeting
fungicides against diverse plant fungal diseases.
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ACS Biomaterials Science & Engineering
·
2025
·
IF 5.5
Juan Huang,Mingjing Yang,Xingyu Zhou,Jigang Luo,Xiaoxia Yan,Guanghui Lin,Shijie Li,Shihui Liu,Zhuoyue Song,Chunzhi Tang,Nenggui Xu,Tao Liu,Jian Liang
Drug repurposing has received increasing attention in the field of oncology drug development as an alternative strategy to de novo drug synthesis. Disulfiram (DSF) has a long history of clinical application in alcohol withdrawal, and recent studies have revealed that its metabolite diethyldithiocarbamate (DDTC) can be coordinated with copper ions in vivo to form Cu-DDTC complexes with anticancer activity. However, the insufficient in vivo stability of DSF remains a challenge. In this study, the nanomedicine Cu-BTC@DDTC with DDTC-Cu(I) chemical valence and polycrystalline structure was prepared by incorporation of DDTC into the nanosized metal–organic framework (MOF) Cu-BTC. The in vitro cellular evaluation results showed that Cu-BTC@DDTC exhibited high inhibition of tumor cell growth, migration, and invasion. Animal experiments on the xenograft tumor model further demonstrated the excellent antitumor activity and biosafety of Cu-BTC@DDTC, and the antitumor activity was found to be closely related to the regulation of the SLC7A11/GPX4 signaling pathway to induce ferroptosis. This study provides a feasible option for antitumor drug development based on a drug repurposing strategy.
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JOURNAL OF ALLOYS AND COMPOUNDS
·
2025
·
IF 6.3
Yuhua Zhen,Xinyu Cai,Wenjie Yang,Yuanyue Qie,Jiahao Li,Gaohui Ren,Wei Xing,Qingzhong Xue,Hongxia Geng
Sulfide solid electrolytes (SSEs) are promising materials for developing safe and high-performance all-solid-state lithium batteries (ASSLBs). However, enhancing the ionic conductivity, air stability, and electrolyte/electrode interface compatibility of vulcanized solid electrolytes simultaneously remains a significant challenge. Here, we propose a dual doping strategy (In 2 S 3 and LiI) based on liquid-phase method for the preparation of SSEs. In 2 S 3 and LiI can widen the Li + diffusion pathways and enhance the ionic conductivity. Meanwhile, In 2 S 3 can enhance the (electro)chemical stability and suppress the formation of lithium dendrites and H 2 S. Consequently, the prepared Li 7 P 2.94 In 0.1 S 10.9375 I 0.125 (LPInSI) solid electrolyte exhibited high ionic conductivity (2 mS·cm −1 ), excellent electrochemical stability, and air stability at 25 ℃. Based on this, ASSLBs fabricated with Li-In alloy anodes enhance the compatibility of the electrolyte/electrode interface, deliver a discharge capacity of 165.2 mAh·g −1 at room temperature, and retain 87.6 % of the specific discharge capacity after 300 cycles at 0.2 C. This study offers a viable approach for the synthesis of practical SSEs and high-performance ASSLBs.
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Journal for ImmunoTherapy of Cancer
·
2025
·Vol. 13
·期 9
·e011893
·
IF 10.6
Zhengning Yang,Zhongxuan Meng,Shangyuan Liu,Yuxin Chen,Xuhong Gan,Zi‑Mei Zhang,Xiaoshan Luo,Jiahong Yan,Huijin Chen,Danqing Huang,Lihong Huang,Xiaomin Zeng,Wenyu Ma,Jun Liu,Linlin Wang,Haotian Huang,Xinyi Yang,Mei Hu,Lin Chen,Hongli Du,Qibin Leng,Li Qiu,Xiaoling Wang
Background Nonsense-mediated messenger RNA decay (NMD) is a highly conserved surveillance system that degrades mRNAs with premature termination codons (PTCs), and regulates the mRNA quantity. Cancer cells hijack NMD to compensate for the imbalanced DNA levels and modulate their antigenicity. We identified the LTO1/YAE1 complex as NMD factors regulating ribosome biogenesis. Our study aimed to investigate their roles in modulating NMD and major histocompatibility complex class I (MHC-I) antigen presentation, which is vital for cancer immunotherapy. Methods Clustered regularly interspaced short palindromic repeats (CRISPR) and the CRISPR-associated protein 9 (Cas9)-mediated gene knockouts, overexpression, and mutational analysis were used to explore the role of LTO1 and YAE1 in NMD and MHC-I expression across various tumor cell lines, assayed by fluorescent reporter-based assays, fluorescence-activated cell sorting analysis, reverse transcription-quantitative PCR, mRNA decay assay, and polysome profiling. Transcriptomic analyses were used to assess the expression of LTO1/YAE1 and their correlation with MHC-I molecules in human cancers. T cell receptor (TCR)-T cells and tumor cells coculture were employed to monitor the effect of LTO1 and YAE1 loss on T cell activation. Iron chelators were further tested as NMD inhibitors to enhance cancer immunotherapy using in vitro coculture assay and a mouse tumor model for immune checkpoint blockade (ICB) therapy. Results We demonstrate that deficiency in LTO1, YAE1, or their downstream target ABCE1 impairs NMD, causes the overexpression of key regulators of MHC-I, including NLR family CARD domain containing 5 (NLRC5), interferon regulatory factor 1 (IRF1), and nuclear factor-kappa B (NFκB), which results in enhanced T cell activation and tumor cell killing in TCR-T models. Transcriptomic analyses reveal that the LTO1/YAE1 complex is frequently overexpressed in human cancers, where it negatively regulates MHC-I. Moreover, low doses of iron chelators inhibit NMD and enhance MHC-I expression, leading to improved recognition and activation of CD8 + T cells, thereby promoting antigen-specific killing and increasing the efficacy of TCR-T and ICB therapy. Conclusions Collectively, our findings establish novel roles for the LTO1/YAE1 complex in regulating MHC-I expression via NMD. As MHC-I is crucial for antigen presentation and T cell activation, these results reveal a previously unappreciated link between NMD and tumor immunogenicity, with potential implications for cancer immunotherapies.
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Journal of the American Chemical Society
·
2020
·
IF 14.612
Xianju Zhang,Xianxin Wu,Xiaoyu Liu,Gaoyu Chen,Yongkai Wang,Jianchun Bao,Xiangxing Xu,Xinfeng Liu,Qi Zhang,Kehan Yu,Wei Wei,Jingjing Liu,Jun Xu,Hua Jiang,Peng Wang,Xun Wang
Perovskite and chalcogenide quantum dots (QDs) are important nano semiconductors. It has been a challenge to synthesize heterostructural QDs combining perovskite and chalcogenide with tailorable photoelectronic properties. In this report, heterostructural CsPbX3-PbS (X = Cl, Br, I) QDs were successfully synthesized via a room temperature in situ transformation route. The CsPbX3-PbS QDs show a tunable dual emission feature with the visible and near-infrared (NIR) photoluminescence (PL) corresponding to CsPbX3 and PbS, respectively. Typically, the formation and evolution of the heterostructural CsPbBr3–PbS QDs with reaction time was investigated. Femtosecond transient absorption spectroscopy (TAS) was applied to illuminate the exciton dynamics in CsPbBr3–PbS QDs. The mild synthetic method and TAS proved perovskite to PbS energy transfer may pave the way toward highly efficient QD photovoltaic and optoelectronic devices.
研究领域:
材料科学
·
光电子学
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Solar RRL
·
2024
·Vol. 8
·期 7
·2400088
·
IF 6
Lili Gao,Ke Hao,Ping Hu,Sheng Huang,Fan Yang,Deng Li,Shengzhong (Frank) Liu
Halide perovskites have gained significant attention in the field of photovoltaics and photocatalysis due to their exceptional optoelectronic properties. However, the exploration of other classes of 2D perovskite materials is limited. In this work, the photocatalytic performance of (HA)PbX 4 2D crystals embedded with MoS 2 in their bulk structure is investigated. The (HA)PbX 4 @MoS 2 composites are directly synthesized in a (HA)PbX 4 crystal solution. Notably, the (HA)PbI 4 @MoS 2 composite exhibits a remarkable 2.94-fold increase in H 2 evolution activity. Furthermore, the composite demonstrated stability in a (HA)PbX 4 (HA = histamine, X = I, Br, Cl)-saturated aqueous HX solution. The photogenerated electrons in (HA)PbX 4 are efficiently transferred to the MoS 2 sites, facilitating the reduction of protons to H 2 . In this study, the potential of hybrid 2D perovskite–MoS 2 composites is highlighted as promising visible-light photocatalysts for aqueous solution applications.
研究领域:
材料科学
·
能源化学
·
光催化
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WATER AIR AND SOIL POLLUTION
·
2026
·Vol. 237
·期 14
·791
·
IF 3.5
Yu Lian,Lu Jiarui,Yu Meng,Duan Yajing,Zhang Baofeng,Zhang Xuan,Wang Xiaoyue,Liang Cunzhen
Cu(I) doped Fe 3 O 4 nanoparticles was loaded onto graphene oxide, Cu-Fe 3 O 4 /GO with binary active sites and accelerated Fe(III)/Fe(II) cycle showed higher tetracycline hydrochloride oxidation efficiency than Fe 3 O 4 and Cu-Fe 3 O 4 , the influences of initial H 2 O 2 concentration, reaction pH, catalyst dosage, reaction temperature and radical scavengers on catalytic performance of Cu-Fe 3 O 4 /GO were investigated. The heterogeneous Fenton reaction over Cu-Fe 3 O 4 /GO surface contained Fe(III)/Fe(II) and Cu(II)/Cu(I) active sites, Fe species were the dominant active centers. Cu-Fe 3 O 4 nanoparticles and GO combined via C–O–Fe bond and formed a stable Cu-Fe 3 O 4 /GO conductive structure, which promoted electrons transfer between Cu-Fe 3 O 4 and H 2 O 2 , thus accelerating Fe(III)/Fe(II) and Cu(II)/Cu(I) cycles. GO significantly improved specific surface area, Cu-Fe 3 O 4 nanoparticles dispersibility, and adsorption performance of catalyst. Furthermore, the strong interaction between GO and Cu-Fe 3 O 4 prevented ions from leach, GO captured the soluble Fe(III) which was efficiently reduced to Fe(II) surf by surrounding H 2 O 2 and Cu(I) surf . The degradation efficiency maintained 80.7% after six cycles, the excellent stability can be ascribed to the strong interaction between Cu-Fe 3 O 4 and GO. Reactive oxygen species scavenging results indicated that surface-bound • OH surf played a dominating role, followed by aqueous • OH aq and superoxide radicals (O 2 •− ).
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ACS Sustainable Chemistry & Engineering
·
2022
·
IF 9.224
Li Zhao,Xianzhi Hu,Futing Zi,Shuliang Chen,Huiling Cheng,Peng Yang,Yan Zhang,Yunlong Chen,Yunshu Jiang,Xinrong Li,Yue Lin,Zhujuan Li,Juan Li,Haiwen Wang,Yufang Li
It is desirable to develop a highly stable, cost-effective, and recyclable adsorbent to adsorb Au(I) from thiosulfate solutions. In this study, reliable aminated microspheres (PS–TETA) were synthesized via a one-pot method that profited from active chloromethyl group-induced nucleophilic substitution between chloromethylated polystyrene (PS–Cl) and triethylenetetramine (TETA). These microspheres were used to recover a gold(I) thiosulfate complex. Scanning electron microscopy, Fourier transform infrared spectroscopy, Brunauer–Emmett–Teller technique, and X-ray photoelectron spectroscopy were adopted to analyze the surface elements and structure of PS–TETA. Additionally, influencing parameters, such as pH, thiosulfate concentration, and temperature, were investigated. The results indicated that the synthetic process and gold-adsorption behavior of PS–TETA was directly related to the surface chlorine and amine groups. The adsorption process was exothermic and consistent with the Freundlich isotherm model and pseudo-second-order kinetics. Complete adsorption of Au(I) was achieved with a maximum capacity of 23.79 kg t–1. Na2SO3 proved to be an effective desorbent and exhibited a satisfactory adsorption ability of the adsorbent even after five cycles. Anion exchange as a reasonable Au(S2O3)23– adsorption mechanism of PS–TETA is proposed. This study offers a practical method for synthesizing aminated microspheres with excellent properties to recover Au(I) from thiosulfate solutions.
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Inorganic Chemistry Frontiers
·
2022
·Vol. 9
·期 5
·950-958
·
IF 7.779
Shifei Kang,Zhihao Zhang,Maofen He,Zirou Fang,Di Sun,Lulu Zheng,Xijiang Chang,Lifeng Cui
Co-modification of graphitic carbon nitride (g-C3N4) photocatalysts can maximally optimize their intrinsic photoelectric structures, but usually involves complex multistep reactions, and thus is challenging because structural collapse and active site decay usually happen due to the complex process, over-treatment or conflict of different modification strategies. In this work, potassium iodate (KIO3), an edible salt additive, was used as a critical waste-free modifier in the thermal polymerization of g-C3N4, leading to a fast and coordinated co-modification of g-C3N4 photocatalysts. The final g-CN-KIO3 photocatalyst demonstrated a superior and balanced optical absorption ability and semiconductor band structure. In visible-light-driven photocatalytic model tests, g-CN-KIO3 showed a 3.25 times higher Cr(VI) photoreduction rate and five orders of magnitude lower residual bacteria in a photocatalytic sterilization within 120 min compared with raw g-C3N4. The photocatalytic performance of g-CN-KIO3 also outperformed all of the controls without maximized K–I–O co-modification (CN-K, CN-I, CN-O, and CN-KI). Photocurrent and electrochemical impedance experiments suggest that the co-modified photocatalysts have a faster charge separation ability, which is attributed to the multiple K–I–O co-modifications inducing an optimized surface electronic structure and slower carrier recombination. This work provides a new way to simplify and coordinate complex multi-factor regulation of materials.
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