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Regulation Mechanism of Cusp-Magnetic-Field-Induced Thermoelectric Magnetic Convection on Dendrite Refinement and Uniformity in Single-Crystal Superalloys 尖磁场诱导热电磁力对流对单晶高温合金枝晶细化和均匀性的调节机制
IF 3.6 2区 化学
Crystal Growth & Design Pub Date : 2026-10-21 Epub Date: 2026-10-10 DOI: 10.1021/acs.cgd.6c01114
Hongbin Yu, Yufeng Yang, Hongda Kang, Chuanxin Shi, Weili Ren, Congjiang Zhang, Tianhan He, Biao Ding, Zhe Shen, Tianxiang Zheng, Ang Zhang, Yunbo Zhong
{"title":"Regulation Mechanism of Cusp-Magnetic-Field-Induced Thermoelectric Magnetic Convection on Dendrite Refinement and Uniformity in Single-Crystal Superalloys","authors":"Hongbin Yu,&nbsp;Yufeng Yang,&nbsp;Hongda Kang,&nbsp;Chuanxin Shi,&nbsp;Weili Ren,&nbsp;Congjiang Zhang,&nbsp;Tianhan He,&nbsp;Biao Ding,&nbsp;Zhe Shen,&nbsp;Tianxiang Zheng,&nbsp;Ang Zhang,&nbsp;Yunbo Zhong","doi":"10.1021/acs.cgd.6c01114","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01114","url":null,"abstract":"<p>The refinement and uniformity of dendrite microstructures in single-crystal (SC) superalloys directly determine their high-temperature mechanical properties and service reliability. In conventional directional solidification (DS) processes, the macroscopic temperature and solute fields ahead of the solid−liquid (SL) interface are inherently spatially non-uniform, resulting in pronounced variations in primary dendrite arm spacing (PDAS) at different locations. This poses a significant challenge to achieving effective control over the overall uniformity of the solidification microstructure. In this study, leveraging the unique configuration of the Cusp magnetic field (CMF), we investigated its influence on dendritic growth behavior in directionally solidified SC superalloy specimens with different diameters. The results demonstrate that the CMF reduces the PDAS and improves its spatial distribution uniformity. Moreover, both effects are enhanced with increasing specimen diameter. Quenching experiments combined with macroscale multiphysics simulations reveal that thermoelectric magnetic convection induced by the CMF effectively compensates for the non-uniform thermal field from radiative heat transfer, thereby driving the macroscopic interface toward a planar morphology. Phase-field simulations further indicate that, the differences in dendrite tip migration kinetics at different positions are reduced under the relatively planar interface, thereby synergistically promoting dendrite refinement and homogenization. This work provides a new theoretical basis for the dendrite refinement and homogenization in SC superalloys through macroscopic SL interface engineering.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8552–8566"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221979","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analyzing the Impact of Sorbent Fluorophilicity on the Adsorption of Tetrafluoromethane in a Metal−Organic Framework 吸附剂亲氟性对金属-有机骨架吸附四氟甲烷的影响分析
IF 3.6 2区 化学
Crystal Growth & Design Pub Date : 2026-10-21 Epub Date: 2026-10-02 DOI: 10.1021/acs.cgd.6c01097
Bevan S. Whitehead, Bittu Chandra, William W. Brennessel, Brandon R. Barnett
{"title":"Analyzing the Impact of Sorbent Fluorophilicity on the Adsorption of Tetrafluoromethane in a Metal−Organic Framework","authors":"Bevan S. Whitehead,&nbsp;Bittu Chandra,&nbsp;William W. Brennessel,&nbsp;Brandon R. Barnett","doi":"10.1021/acs.cgd.6c01097","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01097","url":null,"abstract":"<p>Perfluorinated and highly fluorinated organic molecules exhibit fluorophilic behavior, or a preference for partitioning with fluorinated phases over lipophilic or hydrophilic phases. Fluorophilic interactions leverage local charge separations that arise from polarized C−F bonds. For larger perfluorinated molecules, the cumulative strength of these interactions can drive selective partitioning with fluorophilic surfaces, such as those within a porous sorbent. However, it is presently unclear whether tetrafluoromethane (CF<sub>4</sub>), the smallest perfluorocarbon and a potent greenhouse gas, can engage appreciably in fluorophilic interactions with a highly fluorinated surface. Herein, we report a library of metal−organic frameworks (MOFs) that modulate the length of either fluorophilic or lipophilic alkyl chains tethered within mesoporous channels. Our approach relies on postsynthetic amine coordination, leaving the base framework constant across the series and allowing for comparisons that obviate large changes in pore shape or structure. We find that fluorophilic sorbent character is correlated to, at most, a modest increase in affinity for CF<sub>4</sub>. Very similar results are also observed for the non-fluorinated adsorbate methane (CH<sub>4</sub>). These findings have implications for the design of adsorptive separation schemes involving both fluorinated and non-fluorinated non-polar gases.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8511–8521"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221983","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MOF-On-MOF Heterostructure Coupled with Polyaniline as Advanced Electrode for High-Energy-Density Supercapacitors MOF-On-MOF异质结构耦合聚苯胺作为高能量密度超级电容器的先进电极
IF 3.6 2区 化学
Crystal Growth & Design Pub Date : 2026-10-21 Epub Date: 2026-10-03 DOI: 10.1021/acs.cgd.6c00855
Ping-Ping Sun, Yun-Heng Li, Jin-Juan Xing, Hai-Yan Liu
{"title":"MOF-On-MOF Heterostructure Coupled with Polyaniline as Advanced Electrode for High-Energy-Density Supercapacitors","authors":"Ping-Ping Sun,&nbsp;Yun-Heng Li,&nbsp;Jin-Juan Xing,&nbsp;Hai-Yan Liu","doi":"10.1021/acs.cgd.6c00855","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00855","url":null,"abstract":"<p>This study designs a MOF-on-MOF heterostructure coupled with polyaniline as a high-performance electrode for high-energy-density supercapacitors. Flower-like BTC-Ni was synthesized by a hydrothermal method, followed by in situ growth of ZIF-67 to construct a hierarchical heterojunction, and then coated with polyaniline via electropolymerization to obtain the ternary composite BTC-Ni/ZIF-67@PANI. Systematic characterizations including X-ray absorption fine structure (EXAFS) and wavelet transform reveal that Ni exists in the form of Ni−O coordination and Co exists in the form of Co−N coordination, both highly dispersed without metal agglomeration, providing abundant bimetallic active sites. The heterointerface optimizes the electronic structure, strengthens OH<sup>−</sup> adsorption, and accelerates charge transfer. The PANI layer forms a continuous conductive network, improves conductivity, supplies extra pseudocapacitance, and alleviates volume expansion during cycling. Electrochemical tests show that the composite exhibits high specific capacitance, excellent rate performance, and 85.9% capacitance retention after 10,000 cycles at 5 A/g. The assembled asymmetric supercapacitor achieves a voltage window of 1.6 V and an energy density of 67.28 Wh/kg at 800 W/kg. This work provides a feasible strategy for constructing advanced MOF-based electrodes with clear coordination environment and excellent energy storage performance.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8252–8264"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Composition-Tuned Dual-Mode Photodetection in BiS1−xSexI Crystals: From Bias-Driven Photoconductivity to Self-Powered Photothermoelectrics BiS1−xSexI晶体的成分调谐双模光探测:从偏置驱动的光导到自供电的光热电
IF 3.6 2区 化学
Crystal Growth & Design Pub Date : 2026-10-21 Epub Date: 2026-10-05 DOI: 10.1021/acs.cgd.6c00980
Bao Xiao, Hong-Tao Jiang, Wenzhuo Han, Di Sun, Ning Li, Yiru Tai, Yang-Yang Lv, Bin-Bin Zhang
{"title":"Composition-Tuned Dual-Mode Photodetection in BiS1−xSexI Crystals: From Bias-Driven Photoconductivity to Self-Powered Photothermoelectrics","authors":"Bao Xiao,&nbsp;Hong-Tao Jiang,&nbsp;Wenzhuo Han,&nbsp;Di Sun,&nbsp;Ning Li,&nbsp;Yiru Tai,&nbsp;Yang-Yang Lv,&nbsp;Bin-Bin Zhang","doi":"10.1021/acs.cgd.6c00980","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00980","url":null,"abstract":"<p>Bismuth-based chalcohalides have garnered significant attention for optoelectronic applications due to their low toxicity and excellent photophysical properties. Herein, high-quality BiS<sub>1−<em>x</em></sub>Se<sub><em>x</em></sub>I (0 ≤ <em>x</em> ≤ 1) single crystals were successfully grown via physical vapor transport (PVT) method. Se element substitution not only tunes the bandgap from 1.53 eV to 1.29 eV but also reduces the resistivity by over 6 orders of magnitude, enabling distinct photodetection mechanisms. For the end-member BiSI (BiS<sub>1−<em>x</em></sub>Se<sub><em>x</em></sub>I, <em>x</em> = 0), the device operates in a bias-dependent photoconductive mode, achieving a high responsivity of 1 mA/W at 10 V bias under 425 nm illumination. Conversely, for Se-rich compositions like BiS<sub>1−<em>x</em></sub>Se<sub><em>x</em></sub>I (<em>x</em> = 0.75, and 1), the photothermoelectric (PTE) effect dominates, allowing for sensitive self-powered broadband detection. The optimized PTE device exhibits stable ON-OFF switching under 425 nm illumination, yielding a responsivity of 227 mV/W with a specific detectivity of 6.5 × 10<sup>6</sup> Jones. These results highlight the versatility of BiS<sub>1−<em>x</em></sub>Se<sub><em>x</em></sub>I crystals, offering a pathway to switch between high-gain photoconductors and broadband, self-powered PTE detectors through compositional engineering.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8393–8402"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Atmosphere-Induced Preferentially Oriented Growth: Crystalline Evolution and a Tunable Optical Band Gap in Bismuth-Derived β-Bi2O3 Films 大气诱导的优先取向生长:铋衍生β-Bi2O3薄膜的晶体演化和可调光学带隙
IF 3.6 2区 化学
Crystal Growth & Design Pub Date : 2026-10-21 Epub Date: 2026-10-12 DOI: 10.1021/acs.cgd.6c00563
Muyan Dai, Tong Zhang, Ruobing Feng, Ning Zhang, Nan Wang
{"title":"Atmosphere-Induced Preferentially Oriented Growth: Crystalline Evolution and a Tunable Optical Band Gap in Bismuth-Derived β-Bi2O3 Films","authors":"Muyan Dai,&nbsp;Tong Zhang,&nbsp;Ruobing Feng,&nbsp;Ning Zhang,&nbsp;Nan Wang","doi":"10.1021/acs.cgd.6c00563","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00563","url":null,"abstract":"<p>The controllable synthesis of β-Bi<sub>2</sub>O<sub>3</sub> thin films with specific crystallographic orientations is essential for optoelectronic device applications. However, achieving precise orientation control by modulating the growth conditions remains a significant challenge. In this work, we demonstrate that the oxidizing atmosphere is a critical determinant in the oxidation of bismuth (Bi) metal, dictating a transition from thermodynamics-driven epitaxial growth to kinetics-dominated non-epitaxial growth of β-Bi<sub>2</sub>O<sub>3</sub> films. In an oxygen-deficient atmosphere, the reaction is thermodynamically controlled. In this regime, β-Bi<sub>2</sub>O<sub>3</sub> grows <em>via</em> a mechanism on the Bi(003) surface, guided by lattice matching, to form a dense film with a dominant (201) orientation. This process follows a specific crystallographic relationship: Bi(003)//β-Bi<sub>2</sub>O<sub>3</sub>(002). In contrast, under oxygen-rich and air atmospheres, the reaction becomes kinetically controlled, where the competition among growth rates of different crystal facets prevails. This leads to a shift in the preferred orientation toward a mixed feature of the (002) and (220) planes. Such atmosphere-induced microstructural evolution directly modulates the optical properties of the films. The preferred oriented-growth (201) film exhibits an optical band gap of approximately 2.64 eV, which is slightly wider than the intrinsic value. Conversely, films grown under oxygen-rich and air atmospheres show a broader band gap of approximately 2.83 eV. This work elucidates the physical origin of orientation competition during Bi oxidation and establishes a universal strategy for tailoring the crystal orientation, microstructure, and optical band gap of metal-oxide films simply by engineering the oxidizing atmosphere.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8116–8128"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Porphyrin−Peptide Bioconjugates: Photophysical Properties and Targeted Singlet Oxygen-Mediated Photooxidation of Amyloid-β 卟啉-肽生物偶联物:淀粉样蛋白-β的光物理性质和靶向单线态氧介导的光氧化
IF 4.5 2区 化学
Bioconjugate Chemistry Pub Date : 2026-10-21 Epub Date: 2026-10-12 DOI: 10.1021/acs.bioconjchem.6c00426
Cristina Parisi, Francesco Attanasio, Giuseppina Sabatino, Sonia Covaceuszach, Giuseppe Pappalardo, Giuseppe Di Natale, Salvatore Sortino
{"title":"Porphyrin−Peptide Bioconjugates: Photophysical Properties and Targeted Singlet Oxygen-Mediated Photooxidation of Amyloid-β","authors":"Cristina Parisi,&nbsp;Francesco Attanasio,&nbsp;Giuseppina Sabatino,&nbsp;Sonia Covaceuszach,&nbsp;Giuseppe Pappalardo,&nbsp;Giuseppe Di Natale,&nbsp;Salvatore Sortino","doi":"10.1021/acs.bioconjchem.6c00426","DOIUrl":"https://doi.org/10.1021/acs.bioconjchem.6c00426","url":null,"abstract":"<p>The aberrant self-assembly of amyloid β (Aβ) peptides into toxic oligomers is a central event in Alzheimer’s disease, motivating the development of molecular systems capable of modulating or degrading these species. Porphyrins and porphyrin−peptide bioconjugates have emerged as promising photoactive platforms due to their known ability to generate the highly oxidant singlet oxygen (<sup>1</sup>O<sub>2</sub>) upon light excitation. Still, the mechanisms underlying their oxidative effects on Aβ remain unclear. Here, we investigate the photophysical properties and the <sup>1</sup>O<sub>2</sub>-mediated oxidation capability of two porphyrin−peptide conjugates, <strong>Ph-Pep</strong> and its Zn-metallated analogue <strong>ZnPh-Pep</strong>, both incorporating the Aβ recognition motif KLVFF. Steady-state and time-resolved spectroscopic studies reveal the good preservation of the photophysical and photochemical properties of the porphyrin chromophore units after their conjugation with the peptide appendage. Population of the long-lived triplet state of both compounds under visible-light excitation results in an effective generation of <sup>1</sup>O<sub>2</sub>. High-resolution mass spectrometry shows that the <sup>1</sup>O<sub>2</sub> photogenerated by <strong>ZnPh-Pep</strong> induces extensive oxidation, yielding peroxidic and hydroperoxidic species, and provides evidence of partial Aβ42 degradation. In contrast, <strong>Ph-Pep</strong> leads to a rapid loss of detectable Aβ signal, suggesting the formation of higher-order aggregates rather than peptide cleavage. These distinct outcomes highlight the roles of Zn<sup>2+</sup> coordination and peptide conjugation in modulating the <sup>1</sup>O<sub>2</sub>-driven pathways. Overall, this study provides a mechanistic insight into designing photoactivatable porphyrin-based constructs capable of degrading or modulating toxic Aβ assemblies, opening intriguing prospects for light-mediated therapeutic strategies for neurodegenerative diseases.</p>","PeriodicalId":29,"journal":{"name":"Bioconjugate Chemistry","volume":"37 10","pages":"2084–2091"},"PeriodicalIF":4.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Co-delivery of siPD-L1 and Tat-HSPB1 by G5PBA Enhances the Efficacy of Antitumor Therapy in Clear Cell Renal Cell Carcinoma G5PBA共同递送siPD-L1和Tat-HSPB1增强透明细胞肾细胞癌的抗肿瘤治疗效果
IF 4.5 2区 化学
Bioconjugate Chemistry Pub Date : 2026-10-21 Epub Date: 2026-09-23 DOI: 10.1021/acs.bioconjchem.6c00488
Kui Xiong, Lili Xia, Lin Zhang, Weiyuan Li, Yan An, Xiangyang Shi, Guang-Zhi Jin
{"title":"Co-delivery of siPD-L1 and Tat-HSPB1 by G5PBA Enhances the Efficacy of Antitumor Therapy in Clear Cell Renal Cell Carcinoma","authors":"Kui Xiong,&nbsp;Lili Xia,&nbsp;Lin Zhang,&nbsp;Weiyuan Li,&nbsp;Yan An,&nbsp;Xiangyang Shi,&nbsp;Guang-Zhi Jin","doi":"10.1021/acs.bioconjchem.6c00488","DOIUrl":"https://doi.org/10.1021/acs.bioconjchem.6c00488","url":null,"abstract":"<p>Clear cell renal cell carcinoma (ccRCC) is the most common subtype of renal cell carcinoma and remains challenging to treat at advanced stages due to immune evasion and inefficient intracellular delivery of therapeutic agents. In this study, we synthesized a modified generation 5 (G5) poly(amidoamine) dendrimer (G5PBA) to co-deliver small-interfering RNA targeting programmed death-ligand 1 (siPD-L1) and the antitumor peptide Tat-HSPB1, forming the G5PBA/siPD-L1/Tat-HSPB1 nanocomplex. The agarose gel retardation assay demonstrated that G5PBA efficiently condensed siPD-L1. Furthermore, the peptide encapsulation efficiency and loading capacity were measured, confirming the loading of Tat-HSPB1 into G5PBA/siPD-L1. Flow cytometry showed that G5PBA enhanced the cellular uptake of siPD-L1, while confocal microscopy demonstrated that G5PBA promoted lysosomal escape in Caki-1 cells. Western blot analysis further confirmed that G5PBA effectively reduced the PD-L1 protein expression. In cellular experiments, CCK-8, EdU, and wound-healing assays demonstrated that G5PBA/siPD-L1/Tat-HSPB1 inhibited the viability and migration of ccRCC cells. G5PBA/siPD-L1/Tat-HSPB1 suppressed tumor growth, downregulated PD-L1 expression, enhanced CD4<sup>+</sup> and CD8<sup>+</sup> T-cell infiltration, and elevated serum levels of IL-2, IL-6, TNF-α, and IFN-γ in mice. Major organs exhibited no obvious histopathological abnormalities upon H&amp;E staining. Serum ALT, AST, and BUN levels showed no significant changes compared with the PBS group, suggesting the preliminary safety profile of G5PBA/siPD-L1/Tat-HSPB1. Collectively, the nanocomplex achieved efficient peptide/siPD-L1 co-delivery and demonstrated significant antitumor activity. This system thus provides a promising strategy and experimental basis for local administration of ccRCC.</p>","PeriodicalId":29,"journal":{"name":"Bioconjugate Chemistry","volume":"37 10","pages":"2101–2112"},"PeriodicalIF":4.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design, Synthesis, and Biological Evaluation of a Novel Gedatolisib−Phospholipid Conjugate and Liposomal Formulations Based Thereon 设计,合成和生物学评价一种新的根托里斯-磷脂缀合物和基于它的脂质体制剂
IF 4.5 2区 化学
Bioconjugate Chemistry Pub Date : 2026-10-21 Epub Date: 2026-09-23 DOI: 10.1021/acs.bioconjchem.6c00278
Irina P. Fonareva, Anna S. Alekseeva, Elena V. Svirshchevskaya, Elena L. Vodovozova, Vyacheslav E. Safonov, Alexey Yu. Fedorov, Ekaterina S. Shchegravina
{"title":"Design, Synthesis, and Biological Evaluation of a Novel Gedatolisib−Phospholipid Conjugate and Liposomal Formulations Based Thereon","authors":"Irina P. Fonareva,&nbsp;Anna S. Alekseeva,&nbsp;Elena V. Svirshchevskaya,&nbsp;Elena L. Vodovozova,&nbsp;Vyacheslav E. Safonov,&nbsp;Alexey Yu. Fedorov,&nbsp;Ekaterina S. Shchegravina","doi":"10.1021/acs.bioconjchem.6c00278","DOIUrl":"https://doi.org/10.1021/acs.bioconjchem.6c00278","url":null,"abstract":"<p>Herein, we report the synthesis and biological evaluation of the first phospholipid prodrug of gedatolisib, a dual PI3K/mTOR inhibitor, and liposomal nanoparticles based on this conjugate. The liposomes were designed for selective cleavage by phospholipase A<sub>2</sub>, enabling the release of the active drug from the gedatolisib−phospholipid conjugate. Compared with free gedatolisib, the liposomal formulation demonstrated cytotoxicity that was 2−3 orders of magnitude lower across several cancer cell lines. In vivo studies using the EMT6 breast cancer model showed that the liposomal prodrug exhibited superior antitumor efficacy while being substantially less hepatotoxic than free gedatolisib, which displayed negligible antitumor activity. This phospholipid conjugation strategy represents a promising approach for potentially improving the therapeutic index of gedatolisib.</p>","PeriodicalId":29,"journal":{"name":"Bioconjugate Chemistry","volume":"37 10","pages":"1999–2010"},"PeriodicalIF":4.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Defect-Engineered Core–Shell MOF Nanointerface Functionalized with Hemagglutinin for Target-Guided Anti-influenza Ligand Discovery 用血凝素功能化的缺陷工程核壳MOF纳米界面用于靶向引导抗流感配体的发现
IF 7.8 2区 材料科学
ACS Applied Materials & Interfaces Pub Date : 2026-10-21 Epub Date: 2026-10-06 DOI: 10.1021/acsami.6c17733
Hui Wang, Wei Zhao, Xiaoyun Liu, Xiaojing Liang, Rong Rong, Tiantian Si
{"title":"Defect-Engineered Core–Shell MOF Nanointerface Functionalized with Hemagglutinin for Target-Guided Anti-influenza Ligand Discovery","authors":"Hui Wang,&nbsp;Wei Zhao,&nbsp;Xiaoyun Liu,&nbsp;Xiaojing Liang,&nbsp;Rong Rong,&nbsp;Tiantian Si","doi":"10.1021/acsami.6c17733","DOIUrl":"10.1021/acsami.6c17733","url":null,"abstract":"<p>Preserving the biological function of conformationally dynamic proteins after immobilization remains a major challenge in biointerface engineering. Here, a defect-engineered hierarchical MOF nanointerface (D-MOF-808-HET@MOF-808@SiO<sub>2</sub>) was constructed through evaporation-induced interfacial coordination assembly for hemagglutinin (HA) immobilization and target-guided ligand screening. XPS analysis supported coordination-mediated interactions between HA and accessible Zr sites of the defect-engineered interface, as indicated by altered Zr 3d and O 1s binding energies. The immobilized HA retained a hemagglutination titer above 5.0 log<sub>2</sub>, indicating preservation of its biological activity. The HA-functionalized interface interfered with viral attachment to host cells during the early stage of H1N1 PR8 infection and was subsequently used as an affinity matrix to enrich HA-associated constituents from Mahuang-Xixin-Fuzi Decoction. Twelve candidate ligands were identified, of which hypaconitine, naringenin, ethyl caffeate, and vitexin were further evaluated by surface plasmon resonance and cellular antiviral assays. Hypaconitine exhibited the strongest HA-binding affinity (<em>K</em><sub>D</sub> = 1.72 μM) but showed relatively weak antiviral activity (EC<sub>50</sub> = 50.03 μM), whereas ethyl caffeate and vitexin displayed superior antiviral activities (EC<sub>50</sub> = 1.54 and 2.56 μM) despite moderate HA affinities (<em>K</em><sub>D</sub> = 11.06 and 12.20 μM, respectively), revealing an affinity–activity mismatch. Molecular docking predicted different ligand interaction patterns, with ethyl caffeate and vitexin showing interactions near the HA1–HA2 interdomain region, whereas hypaconitine and naringenin exhibited alternative predicted interaction regions. These differences in predicted binding modes may contribute to the observed functional disparity. These findings suggest that equilibrium affinity alone does not fully account for antiviral activity and support HA-functionalized MOF nanointerfaces as a platform for target-guided screening of bioactive constituents from complex natural-product mixtures.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"56015–56028"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149091553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Feedstock-Driven Design of CO2 Sorbents via Chemical Upcycling of Plastics and Elastomers 基于塑料和弹性体化学升级回收的CO2吸附剂的原料驱动设计
IF 7.8 2区 材料科学
ACS Applied Materials & Interfaces Pub Date : 2026-10-21 Epub Date: 2026-10-06 DOI: 10.1021/acsami.6c14604
Seulchan Lee, Gwanho Park, Lance Khizner Dabu Gragasin, Soon Hyeok Hong
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