ACS Applied Materials & Interfaces最新文献_第2页

Transferrin Protein Corona-Targeted Codelivery of Tirapazamine and IR820 Facilitates Efficient PDT-Induced Hypoxic Chemotherapy on 4T1 Breast Cancer 转铁蛋白电晕靶向递送替拉帕扎胺和 IR820，促进对 4T1 乳腺癌进行高效的光诱导缺氧化疗

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c15045

Mingji Jin, Hao Wu, Wenyu Jin, Bowen Zeng, Yanhong Liu, Nuoya Wang, Shuangqing Wang, Liqing Chen, Zhonggao Gao, Wei Huang

{"title":"Transferrin Protein Corona-Targeted Codelivery of Tirapazamine and IR820 Facilitates Efficient PDT-Induced Hypoxic Chemotherapy on 4T1 Breast Cancer","authors":"Mingji Jin, Hao Wu, Wenyu Jin, Bowen Zeng, Yanhong Liu, Nuoya Wang, Shuangqing Wang, Liqing Chen, Zhonggao Gao, Wei Huang","doi":"10.1021/acsami.4c15045","DOIUrl":"https://doi.org/10.1021/acsami.4c15045","url":null,"abstract":"Protein corona (PC) formation confers novel biological properties to the original nanomaterial, impeding its uptake and targeting efficacy in cells and tissues. Although many studies discussing PC formation have focused on inert proteins that may inhibit the function of nanomaterials, some functional plasma proteins with intrinsic targeting capabilities can also be adsorbed to the surface of nanomaterials, with active ligand properties to improve the targeting ability. In this approach, nanomaterials are surface-engineered to promote the adsorption of specific functional plasma proteins that are directly targeted to transport nanomaterials to the target site. In this study, T10 peptide-modified liposomes were employed to construct an in situ transferrin (Tf) PC-mediated liposome carrying a hypoxia-sensitive chemotherapy drug (tirapazamine, TPZ) and a photosensitizer (indocyanine green, IR820). The water-soluble drug TPZ was encapsulated in mesoporous silica nanoparticles (MSNs) and coated with IR820 (IR)-loaded liposome. Lipid-coated MSNs can inhibit aggregation in the body and significantly reduce the rapid release of water-soluble drugs, resulting in improved system stability and sustained release. Upon entering the in vivo circulation, T10 bound specifically to Tf in plasma to form an in situ Tf liposome–PC complex with enhanced targeting efficacy compared to traditional ligand-modified active-targeting strategies. However, large-sized PC particles faced challenges in penetrating deep into tumor tissues. IR could kill tumors through photodynamic therapy (PDT) and elicit complementary antitumor effects with the hypoxia-sensitive drug TPZ. This study demonstrates the novel design of in situ PC-mediated multifunctional liposomes for hypoxia-activated chemotherapy combined with PDT, a promising approach to cancer therapy.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"87 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849745","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

Hyper-Expandable Cross-Linked Protein Crystals as Scaffolds for Catalytic Reactions

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c15051

Jedidiah S. Chung, Ethan M. Hartman, Eli J. Mertick-Sykes, Edward B. Pimentel, Jeffrey D. Martell

{"title":"Hyper-Expandable Cross-Linked Protein Crystals as Scaffolds for Catalytic Reactions","authors":"Jedidiah S. Chung, Ethan M. Hartman, Eli J. Mertick-Sykes, Edward B. Pimentel, Jeffrey D. Martell","doi":"10.1021/acsami.4c15051","DOIUrl":"https://doi.org/10.1021/acsami.4c15051","url":null,"abstract":"Scaffolding catalytic reactions within porous materials is a powerful strategy to enhance the reaction rates of multicatalytic systems. However, it remains challenging to develop materials with high porosity, high diversity of functional groups within the pores, and guest-adaptive tunability. Furthermore, it is challenging to capture large catalysts such as enzymes within porous materials. Protein-based materials are promising candidates to overcome these limitations, owing to their large pore sizes and potential for stimuli-responsive adaptability. In this work, hydrogel beads were generated from cross-linked lysozyme crystals. These swellable lysozyme cross-linked crystals (SLCCs) expand more than 10 mL per gram of crystal following a simple treatment in ethanol, followed by the addition of water. SLCCs are sensitive to the solution environment and change their extent of swelling from adjusting the concentration and identity of the ions in the solution, or by changing the flexibility of the protein backbone, such as adding dithiothreitol to reduce the protein disulfide bonds. SLCCs can adsorb a wide range of catalysts ranging from transition metal complexes to large biomacromolecules, such as the 160 kDa enzyme glucose oxidase (GOx). Transition metal catalysts and enzymes captured within SLCCs maintained their catalytic activity and exhibited minimal leaching. We performed a cascade reaction by adsorbing GOx and the transition metal catalyst Fe-TAML into SLCCs, resulting in enhanced activity compared to a free-floating reaction. SLCCs offer a promising combination of attributes as scaffolds for multicatalytic reactions, including gram-scale batch preparation, tunable expansion to greater than 20-fold in volume, guest-responsive adaptable behavior, and facile capture of a wide array of small molecule and enzyme-catalysts.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"52 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142858227","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

Multiscale Modeling of Heat Conduction in a Hydroxyethyl Cellulose/Boron Nitride Composite Realizing Ultrahigh Thermal Conductivity via a “Moisture-Activated” Strategy

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c20264

Chenggong Zhao, Chen Jiang, Bingheng Li, Yuanzheng Tang, Xinfeng Wu, Changqing Liu, Yan He, Wei Yu, Yifan Li

{"title":"Multiscale Modeling of Heat Conduction in a Hydroxyethyl Cellulose/Boron Nitride Composite Realizing Ultrahigh Thermal Conductivity via a “Moisture-Activated” Strategy","authors":"Chenggong Zhao, Chen Jiang, Bingheng Li, Yuanzheng Tang, Xinfeng Wu, Changqing Liu, Yan He, Wei Yu, Yifan Li","doi":"10.1021/acsami.4c20264","DOIUrl":"https://doi.org/10.1021/acsami.4c20264","url":null,"abstract":"Polymer-based thermally conductive composites are widely used in microelectronics for heat dissipation and packaging, for which the filler arrangement and the filler/matrix interfacial thermal resistance (ITR) are key factors limiting superior thermal conduction realization. This work reveals the effects of filler modification and orientation on thermal duction in the boron nitride (BN)/hydroxyethyl cellulose (HEC) through multiscale simulation approaches. Nonequilibrium molecular dynamics (NEMD) identifies that the thermal conductivity of the BN molecule is not size-dependent and proves that thermal resistance is dramatically reduced after hydroxylation modification (BNOH). Finite element simulation (FEM) reveals that maintaining a proper tilt of BN may improve both the cross-plane and in-plane thermal conductivity of the composite. Experimentally, BNOH/HEC composites with high self-viscosity are prepared via a “moisture-activated” strategy, for which the introduction of BNOH and wet hot pressing contribute to the thermal resistance reduction and filler orientation, respectively. The in-plane thermal conductivity reaches 30.64 W/mK with a cross-plane thermal conductivity of 5.06 W/mK. The films show good adaptability to surface morphology with the thermal resistance decreasing to 1.42 K·cm2/W. Practical thermal management demonstrates that the incorporation of BNOH/HEC facilitates a 15.05 °C reduction of the LED Al substrate compared to the common composite film.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"30 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142858284","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

Seeding Control in Chirality Triggering of Red-Emitting Organic Charge-Transfer Cocrystal Helixes from Achiral Molecules

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c17087

Lei Yao, Chen Pan, Wenju Li, Jiacheng Zhang, Yongyi Zhang, Tao Jin, Guan Wang, Peng Sheng, Jing Zhang, Xinyang Yin

{"title":"Seeding Control in Chirality Triggering of Red-Emitting Organic Charge-Transfer Cocrystal Helixes from Achiral Molecules","authors":"Lei Yao, Chen Pan, Wenju Li, Jiacheng Zhang, Yongyi Zhang, Tao Jin, Guan Wang, Peng Sheng, Jing Zhang, Xinyang Yin","doi":"10.1021/acsami.4c17087","DOIUrl":"https://doi.org/10.1021/acsami.4c17087","url":null,"abstract":"Supramolecular chirality has gained immense attention for great potential, in which the rational engineering strategy facilitates unique helical stacking/assembly, high chiroptical behavior, and prime biomedical activity. In this study, we reported a novel chiral organic donor–acceptor cocrystal based on asymmetrical components of benzo(b)naphtho(1,2-d)thiophene (BNT) and 9-oxo-9H-indeno(1,2-b)pyrazine-2,3-dicarbonitrile (DCAF) that exhibited red emission using a simple solution approach. During the self-assembly, a kinetically controlled growth of polar solvent or substrate induction led to the chiral packing and helical morphology twisted by the cooperation of electrostatic potential energy and chirality. Intriguingly, a “seeding-control” mechanism was newly developed for the production of c-BNT–DCAF helical crystals with a defined uniform chiral form, which enables chirality transfer and amplification from the microscopic to macroscopic level via supramolecular stacking. By introducing chiral additives or even a small break at the edge, the first nucleus acted as a chiral seeding to guide the donor/acceptor molecule alignment into the same handedness. A remarkably high dissymmetry factor (glum) value of 0.1 was demonstrated on the chiral manipulated ribbons, which is the highest among the reported charge-transfer complexes. This work offers us more paths for the design of chiral supramolecular systems for vital applications in organic optoelectronics, micro/nanomechanics, and biomimetics.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"31 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142858230","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

Bacterial Cellulose/Graphene Oxide/Hydroxyapatite Biocomposite: A Scaffold from Sustainable Sources for Bone Tissue Engineering 细菌纤维素/氧化石墨烯/羟基磷灰石生物复合材料：用于骨组织工程的可持续来源支架

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c17306

Adam Aberra Challa, Nabanita Saha, Tanya Zhivkova, Radostina Alexandrova, Petr Saha

{"title":"Bacterial Cellulose/Graphene Oxide/Hydroxyapatite Biocomposite: A Scaffold from Sustainable Sources for Bone Tissue Engineering","authors":"Adam Aberra Challa, Nabanita Saha, Tanya Zhivkova, Radostina Alexandrova, Petr Saha","doi":"10.1021/acsami.4c17306","DOIUrl":"https://doi.org/10.1021/acsami.4c17306","url":null,"abstract":"Bone tissue engineering demands advanced biomaterials with tailored properties. In this regard, composite scaffolds offer a strategy to integrate the desired functionalities. These scaffolds are expected to provide sufficient cellular activities while maintaining the required strength necessary for the bone repair for which they are intended. Hence, attempts to obtain efficient composites are growing. However, in most cases, the conventional production methods of scaffolds are energy-intensive and leave an impact on the environment. This work aims to develop a biocomposite scaffold integrating bacterial cellulose (BC), hydroxyapatite (HAp), and graphene oxide (GO), designated as “BC/HAp/GO”. All components are sourced primarily from agricultural and food waste as alternative means. BC, known for its biocompatibility, fine fiber network, and high porosity, serves as an ideal scaffold material. HAp, a naturally occurring bone component, contributes osteoconductive properties, while GO provides mechanical strength and biofunctionalization capabilities. The biomaterials were analyzed and characterized using a scanning electron microscope, a X-ray diffractometer, and a Fourier transform infrared spectrometer. The produced biocomposite scaffolds were tested for thermal stability, mechanical strength, and biocompatibility. The results showed a nanofibrous, porous network of BC, highly crystalline HAp particles, and well-oxygenated GO flakes with slight structural deformities. The synthesized biocomposite demonstrated promising characteristics, such as increased tensile strength due to added GO particles and higher bioactivity through the introduction of HAp. These inexpensively synthesized materials, marked by suitable surface morphology and cell adhesion properties, open potential applications in bone repair and regeneration.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"8 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849747","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

Enhanced Oral Bioavailability and Biodistribution of Voriconazole through Zein-Pectin-Hyaluronic Acid Nanoparticles

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c16326

Margani Taise Fin, Camila Diedrich, Christiane Schineider Machado, Letícia Marina da Silva, Ana Paula Santos Tartari, Isabella Camargo Zittlau, Samila Horst Peczek, Rubiana Mara Mainardes

{"title":"Enhanced Oral Bioavailability and Biodistribution of Voriconazole through Zein-Pectin-Hyaluronic Acid Nanoparticles","authors":"Margani Taise Fin, Camila Diedrich, Christiane Schineider Machado, Letícia Marina da Silva, Ana Paula Santos Tartari, Isabella Camargo Zittlau, Samila Horst Peczek, Rubiana Mara Mainardes","doi":"10.1021/acsami.4c16326","DOIUrl":"https://doi.org/10.1021/acsami.4c16326","url":null,"abstract":"Nanotechnology-based drug delivery systems offer a solution to the pharmacokinetic limitations of voriconazole (VRC), including saturable metabolism and low oral bioavailability. This study developed zein/pectin/hyaluronic acid nanoparticles (ZPHA-VRC NPs) to improve VRC’s pharmacokinetics and biodistribution. The nanoparticles had a spherical morphology with an average diameter of 268 nm, a zeta potential of −48.7 mV, and an encapsulation efficiency of 88%. Stability studies confirmed resistance to pH variations and digestive enzymes in simulated gastric and intestinal fluids. The in vitro release profile showed a controlled release, with 8% of the VRC released in 2 h and 16% over 24 h. Pharmacokinetic studies in rats demonstrated a 2.8-fold increase in the maximum plasma concentration and a 3-fold improvement in bioavailability compared to free VRC. Biodistribution analysis revealed enhanced VRC accumulation in key organs. These results suggest that ZPHA-VRC NPs effectively improve VRC’s therapeutic potential for oral administration.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"17 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142858228","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

Metallic 1T Phase MoS2 Nanosheets Covalently Functionalized with BBD Molecules for Enhanced Supercapacitor Performances

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c19798

Weikang Zheng, Mingzi Sun, Ruijie Yang, Qingyong Zhang, Ting Ying, Liang Mei, Ruixin Yan, Yue Zhang, Honglu Hu, Jun Fan, Bolong Huang, Zhiyuan Zeng

{"title":"Metallic 1T Phase MoS2 Nanosheets Covalently Functionalized with BBD Molecules for Enhanced Supercapacitor Performances","authors":"Weikang Zheng, Mingzi Sun, Ruijie Yang, Qingyong Zhang, Ting Ying, Liang Mei, Ruixin Yan, Yue Zhang, Honglu Hu, Jun Fan, Bolong Huang, Zhiyuan Zeng","doi":"10.1021/acsami.4c19798","DOIUrl":"https://doi.org/10.1021/acsami.4c19798","url":null,"abstract":"Metallic 1T phase molybdenum disulfide (MoS2) is among the most promising electrode materials for supercapacitors, but its capacitance and cyclability remain to be improved to meet the constantly increasing energy storage needs in portable electronics. In this study, we present a strategy, covalent functionalization, which achieves the improvement of capacitance of metallic 1T phase MoS2. Covalently functionalized by the modifier 4-bromobenzenediazonium tetrafluoroborate, the metallic MoS2 membrane exhibits increased interlayer spacing, slightly curled layered architecture, enhanced charge transfer, and improved adsorption capabilities toward electrolyte molecules and ions. Thanks to these boosted properties, the functionalized metallic MoS2 membrane exhibited excellent supercapacitor performances in a 0.5 M TBABF4 (acetonitrile as the solvent) electrolyte (with a specific capacitance of 135.67 F/cm3 at 1 A/g, more than three times that of the unfunctionalized metallic MoS2 membrane) and good stability, which can maintain a capacitance retention of 76.0% after 10 000 charge–discharge cycles.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"15 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142858283","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

Signal Amplification via Nonlinear Femtosecond Laser Filamentation for Trace Metal Ion Detection Using Metal–Organic Framework–Polymer Adsorbents

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c20725

Xin Hua, Xiaolin Fan, Ying Ye, Xiangyang Wang, Cankun Zhang, Yibin Jiang, Yusheng Zhang, Cheng Wang

引用次数: 0

Amphiphilic Photoluminescent Porous Silicon Nanoparticles as Effective Agents for Ultrasound-Amplified Cancer Therapy

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c15725

Maxim B. Gongalsky, Uliana A. Tsurikova, Andrey A. Kudryavtsev, Nikolay V. Pervushin, Andrey P. Sviridov, Tushar Kumeria, Victoria D. Egoshina, Pyotr A. Tyurin-Kuzmin, Ilia A. Naydov, Kirill A. Gonchar, Gelina S. Kopeina, Valery G. Andreev, Boris Zhivotovsky, Liubov A. Osminkina

{"title":"Amphiphilic Photoluminescent Porous Silicon Nanoparticles as Effective Agents for Ultrasound-Amplified Cancer Therapy","authors":"Maxim B. Gongalsky, Uliana A. Tsurikova, Andrey A. Kudryavtsev, Nikolay V. Pervushin, Andrey P. Sviridov, Tushar Kumeria, Victoria D. Egoshina, Pyotr A. Tyurin-Kuzmin, Ilia A. Naydov, Kirill A. Gonchar, Gelina S. Kopeina, Valery G. Andreev, Boris Zhivotovsky, Liubov A. Osminkina","doi":"10.1021/acsami.4c15725","DOIUrl":"https://doi.org/10.1021/acsami.4c15725","url":null,"abstract":"This study investigates the use of photoluminescent amphiphilic porous silicon nanoparticles (αϕ-pSiNPs) as effective ultrasound (US) amplifiers for cancer sonodynamic theranostics. αϕ-pSiNPs were synthesized via a novel top-down approach involving porous silicon (pSi) films electrochemical etching, borate oxidation, and hydrophobic coating with octadecylsilane (C18), resulting in milling into nanoparticles with hydrophilic exteriors and hydrophobic interiors. These properties promote gas trapping and cavitation nucleation, significantly lowering the US cavitation threshold and resulting in selective destruction of cancer cells in the presence of nanoparticles. Efficient internalization of αϕ-pSiNPs in cell cytoplasm was demonstrated by their intrinsic photoluminescence, activated by partial oxidation of mesoporous silicon films in borate solutions, which resulted in quantum confinement of excitons in 2–5 nm Si quantum dots/wires. Combined with US exposure above the cavitation threshold, αϕ-pSiNPs caused a significant decrease in cell viability through mechanical stretching and microflows generated by oscillating microbubbles. Meanwhile, αϕ-pSiNPs exhibit high biocompatibility up to concentrations of 1 mg/mL without US activation. Their photoluminescent properties facilitate bioimaging, while their US contrast capabilities may enhance both imaging and therapy. The dual functionality of αϕ-pSiNPs supports a theranostic approach, enabling simultaneous diagnostics and treatment with a single agent. This study underscores the potential of αϕ-pSiNPs in sonodynamic therapy and bioimaging, offering a promising strategy for effective and safe anticancer therapy.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"24 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142858350","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

Capture and Diffusion of Hydrogen in Tantalum and Copper with Vacancy Defects: A First-Principles Study

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2024-12-19 DOI: 10.1021/acsami.4c13331

Xiaoqing Liu, Pingze Zhang, Mengling Zhan, Bo Dang, Kai Yang, Peide Han

{"title":"Capture and Diffusion of Hydrogen in Tantalum and Copper with Vacancy Defects: A First-Principles Study","authors":"Xiaoqing Liu, Pingze Zhang, Mengling Zhan, Bo Dang, Kai Yang, Peide Han","doi":"10.1021/acsami.4c13331","DOIUrl":"https://doi.org/10.1021/acsami.4c13331","url":null,"abstract":"Oxygen-free copper is utilized in nuclear processing heaters; however, it exhibits poor resistance to hydrogen radiation corrosion. A tantalum–copper diffusion layer with high vacancy concentration was prepared on the copper surface. This layer demonstrates superior hydrogen trapping and diffusion resistance compared to pure tantalum, though the underlying mechanism remains unclear. First-principles DFT methods were employed to investigate the absorption of hydrogen atoms by tantalum and copper vacancies, forming vacancy-hydrogen complexes, and their diffusion characteristics. These were compared with interstitial configurations. The ground state formation energy is lowest when a tantalum vacancy captures six hydrogen atoms. It can accommodate up to 12 hydrogen atoms while maintaining a higher energy than the interstitial configuration, forming a spherical structure with special symmetry. For copper vacancies, the formation energy remains higher than the interstitial configuration when capturing up to six hydrogen atoms. The high-vacancy diffusion layer exhibits a strong hydrogen trapping capacity. Posthydrogen capture, the overall migration energy for both tantalum and copper vacancies exceeds 2.5 eV. The energy barrier for individual hydrogen atom diffusion outward is higher than in interstitial cases when capturing up to six hydrogen atoms. Vacancies capturing hydrogen atoms play a role in maintaining the stability of hydrogen in its ground state.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"24 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142858224","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