JOURNAL OF MEDICINAL CHEMISTRY
·
2026
·
IF 7.3
Han Wang,Weiming Liao,Yunzhe Li,Aiping Guo,Zhenyu Liu,Xinyu Guo,Kexin Wang,Yulin Zheng,Zihan Wang,Wei Wang,Xiaowei Wang,Liangren Zhang,Qi Sun,Zhuo Huang
Activation of extrasynaptic δ-GABAARs represents a promising strategy for rapid-acting antidepressant therapy in major depressive disorder (MDD). Here, we report the discovery and pharmacological characterization of a novel series of thiazolo[4,5-d]pyrimidin-7(6H)-one derivatives as potent positive allosteric modulators selective for δ-GABAARs. Systematic SAR exploration identified compound 12i as a lead candidate, which demonstrated high potency on the extrasynaptic receptor subtype (α4β3δ: 950% current enhancement at 10 μM, EC50 = 0.8 μM) while maintaining favorable modulation of synaptic subtypes. In vivo, 12i exerted rapid-acting antidepressant effects in both the mouse tail suspension test and the chronic restraint stress-induced depression model, with no addictive behaviors observed. These effects were completely abolished in δ-subunit knockout mice, confirming target engagement. Furthermore, 12i significantly enhanced NREM sleep in a p-chlorophenylalanine-induced insomnia model, highlighting potential dual efficacy in MDD with comorbid sleep disturbance. Collectively, these findings position 12i as a promising clinical candidate for next-generation rapid-acting antidepressant therapy.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2026
·
IF 8.7
Jiaying Ai,Jiajun Yan,Yuxin Zhang,Fuping Lu,Shuhong Mao,Yixun Jiang,Lei Li,Hui-Min Qin
Chemical tethering NAD + to GfADH enhances enzyme-cofactor spatial proximity. • The application of conjugate and NOX reduced the NAD + demand by 13-fold. • The NAD + -GfADH conjugate and NOX were co-fixed via sequential recruitment. • Co-immobilization enhanced enzyme stability with improved cofactor regeneration. The green biomanufacturing of high-value compounds is limited by enzyme instability and cofactor dependence. Herein, we developed a tailored multi-module immobilization strategy that integrated cofactor tethering with sequential multi-enzyme co-immobilization to facilitate the efficient conversion of allitol into D-allulose catalyzed by the Gluconobacter frateurii -derived dehydrogenase (GfADH). In this strategy, nicotinamide adenine dinucleotide (NAD + ) was covalently tethered to the surface of GfADH via a flexible linker, creating an NAD + -GfADH conjugate. Coupling the conjugate with NADH oxidase (NOX) established an efficient cofactor self-regenerating system, reducing the external NAD + demand by 13-fold. Furthermore, this conjugate was encapsulated within hybrid nanoflowers, thereby improving its reusability. To facilitate cofactor transfer, NOX was directionally recruited and colocalized with GfADH using the SpyTag/SpyCatcher system. The co-immobilized enzyme exhibited a high D-allulose yield of 88.7% from 110 mM allitol and retained 85.0% of its initial activity after 6–8 cycles. This work provides a valuable integrated strategy for cofactor regeneration and enzyme stabilization in cofactor-dependent biosynthesis. Download: Download high-res image (169KB) Download: Download full-size image
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SENSORS AND ACTUATORS B-CHEMICAL
·
2026
·
IF 8.3
Yongfei Huang,Li Zhang,Zhefeng Fan
Photodynamic therapy (PDT) holds great promise for tumor treatment, but its clinical translation is greatly hindered by the drawbacks of conventional photosensitizers (PSs), such as insufficient reactive oxygen species (ROS) generation, exclusive type‑II photoreaction, poor subcellular targeting, and compromised efficacy in hypoxic tumors. Herein, we rationally designed and synthesized a mitochondria‑targeted near‑infrared (NIR) photosensitizer Mito‑IsTp with a classic D-π-A architecture, using isophorone as the electron acceptor, methoxy‑modified triphenylamine as the electron donor, benzene as the π‑bridge, and triphenylphosphonium as the mitochondrial‑targeting group. Mito‑IsTp displays a maximum emission peak at 770 nm within the NIR‑I window, together with satisfactory photostability and solvent‑dependent optical performance. Upon 660 nm NIR light irradiation, Mito‑IsTp can simultaneously produce type‑I (•OH, O 2 -• ) and type‑II ( 1 O 2 ) ROS with much higher efficiency than commercial Rose Bengal and Chlorin e6 (Ce6). Confocal imaging verifies its excellent mitochondrial targeting ability in HeLa cells with a Pearson correlation coefficient of 0.97. In vitro experiments reveal negligible dark toxicity and efficient phototoxicity to induce cancer cell apoptosis through ROS-mediated mitochondrial damage. In vivo studies on HeLa tumor‑bearing nude mice further show that Mito‑IsTp ‑mediated PDT significantly suppresses tumor growth without obvious systemic toxicity or organ injury, confirmed by body weight recording, H&E staining, blood routine tests, and hemocompatibility assessment. This work presents a high‑performance NIR PS with dual‑pathway ROS generation and precise mitochondrial targeting, establishing a feasible paradigm for hypoxia‑resistant and mitochondria‑targeted tumor PDT.
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Chem
·
2025
·Vol. 12
·期 3
·
IF 19.6
Yu-He Liang,Jia-Xin Kang,Yan Wang,Yi-Ge Li,Hou-Ji Cao,Qianyi Zhao,Xuenian Chen,Yan-Na Ma
The selective B–H functionalization of carboranes has received considerable attention because of their wide applications in functional materials, catalysis, and pharmaceuticals. Deuterium-labeling experiments and kinetic-isotope-effect experiments are two important tools for mechanistic studies on the selective B–H activation of carboranes. Thus, developing an effective method for the synthesis of perdeuterated carboranes is highly desirable. Herein, we present a practical method for synthesizing perdeuterated carboranes via Pd(II)-catalyzed B–H activation by using D 2 O as a deuterium source. This protocol features extraordinary functional-group tolerance, high levels of deuterium incorporation, and ease of scaling. Mechanistic studies illustrate that the deuteration reaction proceeds via Pd(II)-catalytic electrophilic H/D exchange and subsequent intermolecular Pd migration. The same degree of deuterium incorporation across all boron vertices indicates that the Pd-migration step is faster than the electrophilic palladation step. Additionally, the versatility of this method is reflected in the deuteration of other boron clusters.
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Journal of Energy Storage
·
2026
·
IF 10.7
Mengyao Li,Liangtao Yang,Xinyao Bian,Hailiang Cao,Min Zhao,Peizhi Liu,Zhi Zheng,Wei Deng,Junjie Guo
The practical implementation of lithium‑sulfur (Li - S) batteries is critically hindered by the polysulfide shuttle effect and the sluggish conversion kinetics of lithium polysulfides (LiPSs). Herein, we design a freestanding interlayer comprising bimetallic phosphide nanoparticles embedded within interconnected porous carbon nanofibers (NiCoP@PCNF). In this architecture, the conductive PCNF skeleton functions as a physical barrier and facilitates rapid electron/ion transport, while the polar NiCoP nanoparticles serve as robust chemical anchors for LiPSs. Notably, density functional theory calculations and electrochemical analyses reveal that NiCoP acts as an efficient electrocatalyst by modulating its d-p band center, which optimizes electron transfer and substantially accelerates the liquid-solid conversion of LiPSs. Benefiting from this synergistic adsorption-catalysis effect, Li-S cells equipped with the NiCoP@PCNF interlayer deliver outstanding electrochemical performance, including a high initial capacity of 1652 mAh g −1 at 0.1C, an excellent rate capability of 1013 mAh g −1 at 2C, and exceptional cycling stability with a retained capacity of 757 mAh g −1 after 200 cycles at 3.0C. This work highlights a strategic design for multifunctional interlayers through the integration of conductive carbon frameworks with bimetallic phosphides, offering a promising pathway toward high-performance Li-S batteries.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2026
·Vol. 65
·期 28
·14910-14919
·
IF 3.9
Yang Qiqi,Hu Minglv,Zhang Wenkang,Zhou Ke,Liang Zheng,Gu Qilin,Zhong Zhaoxiang,Xing Weihong
Janus
ceramic membranes with asymmetric wettability have
proven
highly effective for preparing water-in-diesel (W/D) emulsions. Therefore,
the fabrication of such tubular membranes for continuous emulsification
processes is of significant interest. In this study, tetraethyl orthosilicate
(TEOS) and methyltriethoxysilane (MTES) were used as precursors, with
ammonia serving as the catalyst, to achieve the controlled synthesis
of hydrophobic silica (SiO 2 ) particles. Subsequently, these
hydrophobic SiO 2 particles were coated onto the inner walls
of tubular silicon carbide (SiC) membranes (mean pore size = 1.2 μm)
via a simple dip-coating process. Results indicate that controlling
the ammonia concentration allows for the synthesis of SiO 2 particles with sizes that appropriately match the pore dimensions
of the tubular SiC membranes. As the SiO 2 solid content
was increased from 0.10 to 2.00 wt %, the average pore size of the
tubular SiC membranes decreased from 1.2 to 0.52 μm. Concurrently,
the apparent water contact angle on the inner walls increased significantly
from 15 ° to 142 ° , while the outer surface remained hydrophilic.
Among the membranes with various surface wettability, the configuration
featuring a hydrophobic inner wall and a hydrophilic outer surface
proved most effective for emulsion production, yielding W/D emulsions
with smaller average droplet diameter and uniform size distribution.
This work introduces an effective method for simultaneously tuning
the surface wettability and pore structure of tubular SiC ceramic
membranes, thereby establishing a foundation for the continuous membrane
emulsification of diesel fuel.
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Advanced Sustainable Systems
·
2026
·Vol. 10
·期 1
·e01582
·
IF 5.6
Na Lv,Shu Lin,Shu-yuan Liu,Kezhen Qi
In this study, a donor-acceptor (D-A) conjugated design strategy was used to synthesize a novel covalent organic framework (NLCOF, the COF initiated by Na Lv), using 2,5-dimethoxylterephthalaldehyde as the building block via the Kröhnke reaction. Subsequently, ZnIn 2 S 4 quantum dots (ZIS QDs) were physically combined with NLCOF for constructing a ZIS QDs-NLCOF S-scheme heterojunction composite photocatalytic system. This system achieved an H 2 O 2 production rate of 6 417 µmol·g −1 ·h −1 in pure water using the 40ZIS-NLC composite catalyst, which was 4.2 and 26.7 times higher than that of ZIS QDs and NLCOF, respectively. Upon adding 1 mL benzyl alcohol to the system, the H 2 O 2 production rate drastically increased to 53 383 µmol·g −1 ·within 5 h. Advanced characterization techniques, including XPS, KPFM, and EPR were employed to elucidate the intrinsic mechanism of S-scheme heterojunction photocatalytic H 2 O 2 production. This study offers insights into the rational design of high-performance COF-based heterojunction photocatalysts and provides a robust foundation for optimizing interfacial electron-coupling interactions to enhance overall photocatalytic efficiency.
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CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Ting Tan,Qianqian Cao,Ming-Hui Duan,Junmin Li,Yafeng Xie,Min Tan,Xiwu Yin,JiKai Wang,Weiguo Wang
Lateral flow immunoassay (LFIA) has been widely used in clinical diagnosis, food safety, and environmental protection due to the simple operation and high detection efficiency. However, the sensitivity of LFIA still falls short of the requirements when dealing with low levels of biomarkers. In this work, a type of manganese-doped core-shell nanozyme (Pd@Ir-Mn) with an ultrathin iridium (Ir) shell (~2 nm) was synthesized and utilized for the signal amplification of LFIA. By doping with other metals (Mn, Fe, Co, Ni, Cu, and Zn), the d-band center of Ir was tuned. The relationship between the d-band center and the conversion coefficient followed a volcano plot, with Mn-doped Pd@Ir located at the peak of the volcano. The as-prepared Pd@Ir-Mn was finally applied to LFIA (HT-Pd@Ir-Mn-LFIA) for the detection of hCG, the sensitivity was improved by 41 times compared to the traditional gold nanoparticles based LFIA (AuNPs-LFIA). Moreover, this method exhibited good specificity, stability, precision, and accuracy, making it suitable for clinical detection.
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Scientific Reports
·
2026
·
IF 4.9
Zhang Panpan,Zhang Xun,Ma Siyu,Jiang Mengqiang,Zhao Wenhong
Astaxanthin (ATX), a natural antioxidant whose benefits in age-related liver and kidney damage remain unclear. We established a D-galactose-induced ageing model in rats and observed the daily behaviour of the rats. Using staining methods to detect ROS, apoptosis and histopathological changes in liver and brain tissue. Determination of antioxidant levels of IL-2, IL-6 and AGES in rats. Assessment of cognitive function using the Morris water maze and ChAT. The mRNA and protein expression levels of Nrf2, Bach1, SOD1, SOD2, HO-1 were determined by real-time PCR and Western blotting. To investigate the role of the Nrf2/Bach1-ARE pathway, we used ML385, a specific inhibitor of the Nrf2 pathway, to treat rats in the inhibitor group. Aging rats showed impaired learning and memory, along with decreased levels of neurotransmitters and antioxidant enzymes. ATX and vitamin E (VE) interventions significantly alleviated these symptoms and activated the Nrf2/Bach1-ARE pathway in liver and brain tissues of aged SD rats. Furthermore, the protective effects of ATX were attenuated by the addition of the Nrf2 inhibitor ML385. ATX reduces oxidative stress and ameliorates liver and brain damage in aged rats via activation of the Nrf2/Bach1-ARE pathway.
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ACS Applied Materials & Interfaces
·
2026
·
IF 8.2
Yaning Cui,Linji Yang,Tingyong Yi,Yang Zhou,Qiang Zhang,Guo Li,Yuanyuan Kan,Xianjun Wen,Houjin Luo,Mao Dan,Ke Sun,Tao Liu
Chloramphenicol (CAP) has evolved from a widely used antibiotic to a persistent pollutant that is difficult to manage. We employed photocatalysis to address the pollution that it caused. Given the similarity in requirements for active layer materials between photocatalysis and solar cells, we selected outstanding materials already employed in bulk heterojunction organic solar cells (BHJ-OSCs) to construct the catalyst. We selected PTQ10, which is low-cost and readily synthesized, as the donor and ITIC-Th and IEICO-4F, which can broaden the absorption range, as the acceptors, thereby constituting two distinct D–A heterojunction active layers. We immobilized them onto coconut shell charcoal (CSC) obtained from agricultural byproduct recycling, yielding two catalysts: PTQ10:ITIC-Th/CSC and PTQ10:IEICO-4F/CSC. They were able to degrade 97% of high-concentration CAP within 15 min under visible light irradiation and remained stable for over 20 cycles. We further investigated the influence of molecular structure on photocatalytic processes as follows: 1) ITIC-Th exhibits a larger dipole moment and more favorable band structure, resulting in enhanced charge separation efficiency; 2) ITIC-Th possesses reduced steric hindrance, exposing more active reaction sites; and 3) ITIC-Th demonstrates a broader light absorption range with more complete absorption of visible light. The above three points enable PTQ10:ITIC-Th/CSC to generate more •O2– and degrade CAP more efficiently. This work is expected to provide some ideas and help with environmental pollution control and photocatalyst design.
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Journal of Materials Chemistry A
·
2026
·
IF 9.5
Qing Cheng,Yuqi Zhang,Yingying Cao,Long Liu,Yanqiang Zhang
The novel ionic liquid-H2O2 propellants are urgently to solve the intrinsic ignition problem for achieving the aerospace applications. We addressed this issue by tuning the d-band center to adjust the catalyst's adsorption strength for IL/H2O2 toward the optimal value, thus enhancing catalytic activities for the efficient decomposition of H2O2 to generate reactive oxygen species. Herein, the regulation of the d-band center of Cu(I) in Cu(I)-MOF catalyst by precise ligand engineering design was studied. Remarkably, The Cu-S3 coordination of Cu-SH' shifts its d-band center closer to the Fermi level, promoting the adsorption of [BMIM]N(CN)2 and H2O2. Cu-SH' enables efficient H2O2 activation and robust •OH and 1 O2 generation to trigger the rapid self-ignition of [BMIM]N(CN)2-H2O2 propellant. The resulted tid as low as 18.4 ms is nearly 34% lower than that of homogeneous catalyst [FcCH2N(CH3)3]2[Cu2I4]. This work provides fundamental insights into the design of efficient ligand-based combustion catalysts for the higher performance of rockets and spacecrafts.
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Petroleum Science
·
2022
·
IF 4.757
Shun Wang,Jing Wang,Hui-Qing Liu,Hong-Quan Zhang,Fang-Na Liu,Ronald Omara Erik
Ions in brine significantly affect EOR. However, the mechanism of EOR with different brine is still controversial. By Combining Molecular Dynamics (MD) method and Quartz Crystal Microbalance with Dissipation (QCM-D) technology to analyze ions distribution and the mechanisms in detaching acidic components on the sandstone, an effective method to determine the detaching capacity was established. The results show that detaching capacity is related to ions distribution and hydration capacity. In the oil/brine/rock system, ions far from the rock are favorable for detaching, while ions near the rock are unfavorable for detaching due to ion bridging effect. The hydrogen bond between water and naphthenic acid is key to detaching. Cations strengthen the detaching by forming hydrated ions with water, and the detaching capacity is negatively correlated with hydrated ions radius and positively correlated with the water coordination number. The detaching determination coefficient was established by considering the ions distribution, ions types, and hydration strength, then verified by QCM-D. The brine detaching capacity with different Ca 2+ /Mg 2+ ratios was predicted based on MD and detaching determination coefficient, and verified by QCM-D. The optimal Ca 2+ /Mg 2+ ratio gave 7:3. This study provides theoretical guidance for targeted regulation of brine composition to improve the recovery of tight sandstone reservoir.
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