CHEMICAL PHYSICS LETTERS
·
2025
·
IF 3.1
Ying He,Lidan Ding,Jiabin Zhou,Dan Liu,Ying Zhang
In this study, Fe 2 O 3 /Bi 2 O 3 p-n heterojunction photocatalysts were fabricated to remove tetracycline (TC). The Fe 2 O 3 /Bi 2 O 3 /Vis/PMS system achieved the complete degradation of TC within 80 min, with a reaction rate constant of 0.0553 min −1 , which was 34.5 and 5.8 times higher than individual photocatalytic process and PMS-AOPs, respectively. This superior catalytic performance of Fe 2 O 3 /Bi 2 O 3 is primarily attributed to two key aspects. Firstly, forming a heterojunction promotes efficient segregation of photogenerated electron–hole pairs, wherein holes (h + ) directly activate PMS. Secondly, PMS simultaneously functioned as an electron acceptor to generate SO₄• − , accelerating the Fe 3+ /Fe 2+ redox cycle while inhibiting electron-hole recombination. This study confirmed the dual advantages of enhanced radical generation through PMS-assisted photocatalysis synergistic effects and improved charge separation via heterojunction engineering.
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ACS Applied Materials & Interfaces
·
2025
·
IF 8.2
Liu Zhang,Chenyu Wang,Yunxiao Wei,Jie Chen,Haimeng Xin,Hengyu Zhang,Tiantian Liu,Ping Lin,Peng Wang,Xiaoping Wu,Xuegong Yu,Zhenyi Ni,Can Cui,Lingbo Xu
Interfacial recombination at the defective buried interface of perovskite solar cells (PSCs) has long been a persistent and formidable challenge. Introducing molecular bridge via self-assembled molecules (SAMs) offers an effective strategy to mitigate this issue, primarily by chemically passivating interfacial defects that cause nonradiative recombination. However, the influence of SAMs on radiative recombination is often overlooked. In this study, two SAMs with similar molecular configurations but distinct electron-donating/-withdrawing characters─3-thiopheneboronic acid (TBA) and 4-pyridineboronic acid (PBA)─are introduced at the buried interface of n-i-p PSCs. Although both SAMs effectively passivate defects, the PSCs based on them exhibit contrasting trends of performance gain and loss for PBA and TBA, respectively. Mechanistic investigations reveal that TBA featuring an electron-donating thiophene group induces n-type doping in the SnO2 electron transport layer and exacerbates radiative recombination loss, while PBA with the electron-withdrawing pyridine group behaves in an opposite way. These findings highlight the critical role of the electronic effects of SAMs on buried interface recombination beyond their defect passivation function. The trade-off between these two effects is essential for optimizing buried interface engineering through SAMs.
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AAPS PHARMSCITECH
·
2025
·Vol. 26
·期 7
·1-17
·
IF 4
Tan Lihua,Jing Zhongli,Li Na,Yu Xuan,Liu Yi,Wang Meng,Ren Xiaoliang
This study introduced a novel vectorized Biopharmaceutics Classification System (BCS) model designed to evaluate the biopharmaceutical properties of active pharmaceutical ingredients (APIs) and their variations under different influencing factors. The model was validated using water-soluble supramolecular p -Sulfonatocalix[n]arenes (SCnA, n = 6, 8), promising pharmaceutical adjuvants, to enhance the solubility and bioavailability of a series of APIs in vitro . The binding interactions of SCnA with 22 alkaloids were assessed for their impact on solubility and permeability using the classical shake-flask method and the parallel artificial membrane permeability assay (PAMPA). To quantify the effects, the change in directional cosine (θ) for each API was calculated by measuring the ratio of the differences in x- and y-coordinates before and after binding. The linear distance and modulus length (r) changes for each API were determined using the Pythagorean theorem, enabling a quantitative assessment of the modifications in solubility and permeability. The potential changes in oral bioavailability pre- and post-binding were visualized using heat maps based on θ and r, highlighting significant improvements in the solubility of compounds such as allicin, tetrandrine, lycorisine, and others. These changes corresponded with shifts in BCS classification, indicating a positive relationship between SCnA concentration, cavity size, and enhanced solubility. The study also evaluated the influence of pH, and concentrations of host and guest, to assess the tolerance of SCnA for further pharmaceutical applications. Based on prior safety assessments, SCnA ( n = 6, 8) demonstrated significant potential as solubilizing excipients. The vectorized BCS model enabled precise, quantitative analysis of biopharmaceutical property variations without added experimental complexity, offering a tool for high-throughput screening of excipients in pharmaceutical formulation and processing. Graphical
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LANGMUIR
·
2025
·
IF 3.9
Li Xu,Pingyue Hu,Liwen Tan,Junchun Guo,Sheng Li,Xiaoli Xiong
Dopamine (DA) is a key neurotransmitter in the central nervous system, and abnormal concentrations are associated with a variety of diseases. In this study, a novel electrochemical sensor is constructed based on ultrathin P-doped MoS2/MoO2 nanosheets supported on bowl-shaped N-doped carbon hemispheres (N-BCH@P-MoS2/MoO2). The unique hierarchical structure combines the high specific surface area of N-BCH with the enhanced electrocatalytic activity of P-doped MoS2/MoO2, resulting in significant improvements in the performance for DA detection. The electronic structure of the catalyst is further modulated by the codoping of N and P, which increases the electrical conductivity and the number of active centers. The results show that the N-BCH@P-MoS2/MoO2 exhibits excellent sensitivity and selectivity for DA detection, capable of achieving a detection limit as low as 0.12 μM within a broad concentration range (3–100 μM) (S/N = 3). Furthermore, electrocatalysts have been employed in the detection of DA in human serum, indicating significant promise for clinical diagnosis.
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SEPARATION AND PURIFICATION TECHNOLOGY
·
2025
·
IF 9
Hong-Mei Fu,Xi-Peng Zhang,Shi-Chao Qi,Ding-Hua Liu
The p -chlorotoluene (PCT) and m -chlorotoluene (MCT) are indispensable chemical intermediates in pharmaceuticals, agrochemicals, and material synthesis. However, the similar physical and chemical properties of the PCT and MCT make their efficient separation a severe challenge in the current chemical separation field. In this study, a metal-organic framework named Mn-dhbq (dhbq = 2,5-dihydroxy-1,4-benzoquinone) is employed to achieve highly efficient separation of PCT/MCT in a solvent system with 1,3,5-trimethylbenzene. The Mn-dhbq exhibits the adsorption capacity of 208 mg/g for PCT and 72 mg/g for MCT at 25 °C, with initial concentration of 20 % for both PCT and MCT. Notably, the dual-site Langmuir-Freundlich selectivity is 38 with the concentration of 1 % for PCT and MCT. Density functional theory (DFT) calculations reveal differences in the amount of charge transfer and interaction sites between the framework and adsorbate, and these factors collectively contribute to the selective separation of PCT and MCT by Mn-dhbq.
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CHEMICAL PHYSICS LETTERS
·
2025
·
IF 3.1
Huimei Mo,Zhanhong Chen,Xiaoying Liao,Shiting Liang,Jin Xu,Haolang Zeng,Shuqian Shen,Junhui Yi
Morphology engineering and heteroatom doping are established strategies for developing high-performance photocatalysts. In this study, phosphorus-doped three-dimensional porous g-C₃N₄ nanosheets were synthesized by calcining melamine–cyanuric acid supramolecular precursors, followed by gas-phase phosphidation using NaH₂PO₂ at 300 °C. The optimized material exhibited exceptional photocatalytic activity, achieving over 99 % Rhodamine B degradation within 40 min under visible light, significantly outperforming undoped 3D and bulk g-C₃N 4 . It also showed the highest photocurrent density and prolonged carrier lifetime, indicating enhanced charge separation. The catalyst maintained >90 % efficiency after four cycles, demonstrating remarkable stability. Mechanistic studies revealed that holes and superoxide radicals serve as the primary active species, with hydroxyl radicals also participating. The enhanced performance is attributed to the synergistic effect of P-doping—which modifies the electronic structure—and the 3D porous framework, which facilitates mass transfer and exposes active sites. This work provides a scalable route to efficient photocatalysts for environmental remediation.
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POULTRY SCIENCE
·
2025
·
IF 4.2
Xirui Xia,Huifang Zhao,Yaxi Li,Xiangyang Long,Xuezhen Liu,Mingyang Bai,Youzhi Tang,Xiangguang Shen,Huanzhong Ding
Mycoplasma gallisepticum ( M. gallisepticum , MG ) is the primary pathogen of chronic respiratory disease ( CRD ) in chickens and leads to pneumonia and air sacculitis in infected chickens and a corresponding economic loss for the poultry industry. The pleuromutilins have excellent anti-mycoplasmal activity and we evaluated the in vivo activity of a new derivative 22-((4-((2-furan-1-yl)acetamido)phenyl)thio) deoxypleuromutilin ( p- furoylamphenmulin ) against M. gallisepticum . A plasma pharmacokinetic ( PK ) study and an in vivo pharmacodynamic ( PD ) study of p -furoylamphenmulin were performed using an M. gallisepticum -infected chicken model. Based on the PK/PD results, a preliminary recommended dose was calculated. The minimum inhibitory concentration ( MIC ) of p -furoylamphenmulin against M. gallisepticum was 0.001953125 μg/mL. PK results indicated that the absorption half-life ( T 1/2ka ) in infected chicks was 0.10 h, elimination half-life ( T 1/2kel ) was 4.23 h. The areas under the concentration-time curve at 24h ( AUC 24h ) for 5, 40, and 80 mg/kg single-dose injections were 1.49, 10.15, and 18.56 μg·h/mL, respectively. The peak concentrations ( C max ) of 5, 40, and 80 mg/kg were 0.56, 5.79, and 9.53 μg/mL, respectively. The PD results indicated that at doses of 70 and 80 mg/kg, the mycoplasmal counts in lungs decreased by 3.39 and 3.28 Log 10 CFU/mL, respectively, achieving a bactericidal effect. Through PK/PD fitting, the target values corresponding to reducing the lung mycoplasma load by 3 Log 10 CFU/mL of AUC 24h /MIC and C max /MIC were 8288.29 h and 4299.30, respectively, and the calculated dosage using formula (2) was 62.64 mg/kg, under the regimen of intramuscular injection once every 24 h for 3 consecutive days. In addition, the effect of high-dose p -furoylamphenmulin on the relief of air sac lesions was significant. These results provide a basis for developing and applying p -furoylamphenmulin and provide a preliminary medication regimen.
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RARE METALS
·
2025
·
IF 11
Huang De-Xuan,Zhao Jian-Wei,Hu Xue-Lei,Liu Tong
Transition metal oxides have garnered significant attention as electrocatalysts for the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER). However, their sluggish reaction kinetics and poor stability hinder commercial applications. Herein, we report the synthesis of a bimetallic cobalt manganese oxide, Co 0.99 Mn 2.01 O 4 (CMO), synthesized via a hydrothermal technique, which serves as a highly efficient bifunctional ORR/OER electrocatalyst owing to its impressive half-wave potential of 0.767 V and low overpotential of 1.677 V at 10 mA cm −2 . Theoretical calculations revealed that the d-band centers of Co 3d and Mn 3d in CMO, located at tetrahedral and octahedral sites, are positioned near the Fermi level, facilitating the adsorption of electrocatalytic intermediates. Furthermore, the distance between the Co 3d and O 2p band centers in CMO is smaller than that in Co 3 O 4 , and the distance between the Mn 3d and O 2p band centers in CMO is shorter than that in Mn 2 O 3 , indicating that the Co–O and Mn–O bonds in CMO exhibit greater covalency, significantly enhancing ORR/OER activity. Notably, CMO serves as an advanced air electrode material for rechargeable zinc-air batteries (ZABs), demonstrating improved charge–discharge performance with a low voltage gap of 0.87 V at 5 mA cm −2 , high peak power density of 124 mW cm −2 , and excellent cycle stability of over 540 h at 5 mA cm −2 . This superior ORR/OER activity, combined with the simple material combination, makes CMO a promising catalyst for rechargeable ZABs. Graphical
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GREEN CHEMISTRY
·
2025
·
IF 9.2
Hanwen Ge,Jiahui Wei,Shenglin Wang,Zexu Yan,Jiang Mingzhe,Lingxiao Zhu,Chao Liu,Bin Li,Caoxing Huang,Huanfei Xu
Heightened requirements in terms of environment, economy, and efficiency had been imposed on solvents used in the treatment of lignocellulose by the upgrading of the concept of green chemistry. Limitations were imposed on studies that only focus on enhancing a single interaction within the system due to the lack of understanding of the molecular-level mechanism in the solvent-biomass system. In this work, four novel ternary deep eutectic solvents (DES) were synthesized by adopting a new strategy in which the synergistic effect of hydrogen bonds (H-bonds), van der Waals (vdW) interactions and π-π stacking was used to enhance the delignification ability of DES. It was indicated by the results of quantum chemical calculation based on density functional theory (DFT) and molecular dynamics (MD) simulation that 84.26% and 68.72% of the electrostatic energy and vdW interaction energy in the DES-Lignin system were contributed, on average, by choline chloride (ChCl) and p-hydroxybenzoic acid (PB), with increases of 21.60% and 27.71% successively. This improvement was attributed to the increased molecular polarity resulting from the N⁺ on ChCl, the enhanced dispersion attraction due to the arrangement of methyl groups around the sp³-hybridized N⁺, and the π-π stacking interaction formed between the benzene ring structure of PB and lignin, which resulted in the enhancement of vdW interaction within the system. Affected by the ortho-substituents on the benzene ring, among the six investigated lignin dimers, stronger interactions with DES were exhibited by β-1 and β-O-4. The delignification ability of ChCl-LA-PB (strongest calculated interaction energy, reaching -92.37 kcal/mol) was demonstrated in the experiment of treating xylose residue. The delignification rate of lignin was increased by 1.86 times (up to 61.91%) compared with that of ChCl-LA. It was confirmed by the characterization resulted that the excessive depolymerization and condensation of lignin were avoided by the p-π conjugation effect of the phenolic hydroxyl group on PB through inhibiting the ionization of H⁺. Designing DES from the origin of molecular structure and adopting a strategy of multiple interactions in synergy provided novel insights and green methods for the high-value utilization of lignocellulose.
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JOURNAL OF APPLIED POLYMER SCIENCE
·
2025
·
IF 2.8
Shuai Yuan,Jian Hu,Jin Yang
Conductive polyurethane (CPU) with excellent processability has broad prospects in the communication field. However, the poor thermal stability of polyurethane (PU) limits its application. To solve this problem, a type of CPU with heat resistance was synthesized from p-phenylene diisocyanate (PPDI), poly-(tetramethylene ether) glycol (PTMG), aniline trimer (AT), and subsequently doped with camphorsulfonic acid (CSA). Besides, both polydimethylsiloxane (PDMS) and polycarbonate diol (PCDL) were introduced into CPU backbones, and PPDI-based CPU (PCPU) was synthesized with a high reaction efficiency of 94%. The structure of PCPU was confirmed by FT-IR, 1 H NMR, and GPC. The microphase separation structure, thermal stability, mechanical properties, and conductive performances were investigated using multiple characterization techniques such as DSC, XRD, TGA, DMA, and so on. The addition of PDMS promoted microphase separation and significantly improved the thermal stability of PCPU. Meanwhile, introducing PCDL into soft segments might increase the hydrogen-bond content in the PU system. When the molar ratio of PTMG to PCDL is 3:1, the thermal stability and mechanical properties of PCPU can be maximized. Furthermore, the conductive segments composed of AT formed a spatial conductive network within the PCPU. Obviously, such highly heat-resistant PCPU showed considerable potential for being used in high-temperature environments.
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BIOMEDICINE & PHARMACOTHERAPY
·
2024
·
IF 6.9
Sikai Deng,Weiwei Li,Qiyu Chen,Jianqun Shao,Junbo Zhang,Yuji Wang,Yinghuan Li
The mucus layer and intestine epithelium pose challenges to the bioavailability of orally administered paclitaxel (PTX). A novel P-glycoprotein inhibitor, (S)-2-decanoylamino-3-(1-naphthyl)propionyl-leucyl-valine (PgpI), was synthesized in this study. Its structure was characterized using 1 H NMR, 13 C NMR, ESI-MS and IR spectroscopies. The efficacy and in vivo toxicity of PgpI were comprehensively evaluated by R8-PEG@PLs&PgpI, i.e. , the oral combination of PgpI and octaarginine R8-PEG-DSPE modified PTX liposomes (R8-PEG@PLs), for lung cancer treatment. The joint forms between PgpI and R8-PEG@PLs were investigated and the affinity of PgpI for intestinal P-glycoprotein remained unaffected when combined externally with R8-PEG@PLs (R8-PEG@PLs&PgpI), compared to the diminished affinity for internal combination. The primary endocytic pathway for R8-PEG@PLs&PgpI in Caco-2 cells was the lipid raft, with increased percentage of macropinocytosis compared to unmodified PTX liposomes (PLs). The established physiology-based cellular kinetic models revealed that the net internalization rate of PTX was 2.3 times higher in R8-PEG@PLs&PgpI than in PLs, correlating with in vivo 2.2 times of antitumor rate. R8-PEG@PLs&PgpI may address the deficits of PLs in human lung A549 tumor-bearing mice due to the lower drug concentration than in normal mice. The external combination of R8-PEG@PLs&PgpI, offering maximal efficacy and security of PgpI, is promising for oral PTX delivery.
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Small
·
2025
·
IF 12.1
Jiafu Shen,Yu Dai,Fan Xia,Xiaojin Zhang
Low-grade heat accounts for a significant portion of the heat, but is often overlooked and not utilized. Ionic thermoelectric generators (i-TEGs) are an ideal choice for harvesting low-grade heat due to their simple design and operation. However, challenges such as ion mobility regulation and the need for series integration still hinder their performance. In this work, an interesting approach is introduced to improve the thermoelectric efficiency of i-TEG by utilizing ion-selective hydrogels containing sodium chloride (NaCl). The anionic polymer in the cation-selective hydrogel is attractive to sodium ions, while the cationic polymer in the anion-selective hydrogel is attractive to chloride ions. This regulates the thermal mobility of ions in the hydrogel without polymer modification or the addition of some additives, thus enhancing or changing the Seebeck coefficient ( S ). By connecting 12 pairs of the P-type and N-type i-TEGs, a voltage of 1.54 V and an output power of 21 µW can be achieved on the surface of the body skin. This work opens a new horizon for obtaining high-performance i-TEGs through ion mobility regulation by ion-selective hydrogels, and highlights the prospect of P-N series integrated i-TEGs from hydrogels for body heat harvesting.
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危险品化学品经营许可证（带存储）