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One pot synthesis of UiO-66-NH2 containing curcumin and cytotoxic evaluation toward liver cancer cells

Materials Letters 2024年 365卷

作者： Susilowati, Oni Wahyu Lestari, Witri Handayani, Murni Sukowati, Caecilia Tiribelli, Claudio Crocè, Lory Saveria Masykur, Abu Rakhman Wibowo, Fajar Dwi Ardyanto, Tonang Adi Saputra, Ozi Department of Chemistry Faculty of Mathematics and Natural Sciences Universitas Sebelas Maret Central Java Surakarta57126 Indonesia Tangerang Selatan15314 Indonesia Jakarta Pusat10340 Indonesia Liver Cancer Unit Fondazione Italiana Fegato ONLUS AREA Science Park Basovizza34049 Italy Department of Medicine Surgery and Health Sciences University of Trieste Italy Clinical Pathology Department Faculty of Medicine Universitas Sebelas Maret Surakarta57126 Indonesia Department of Chemical Engineering College of Engineering National Taiwan University Taipei10617 Taiwan Institute of Chemistry and Taiwan International Graduate Program Sustainable Chemical Science and Technology Academia Sinica Taipei115 Taiwan

Curcumin, a potent natural compound known for its health benefits, encounters challenges such as low bioavailability and poor solubility. To overcome these obstacles, incorporating curcumin into metal–organic frameworks (MOFs) has emerged as a promising approach. This study explores the in-situ modification of UiO-66-NH2 (UiO stands for Universitetet i Oslo) with curcumin, aiming to assess its release and delivery potential. chemical, structural, morphological, and textural analyses confirmed the successful synthesis of the materials. Nitrogen sorption isotherm, field-emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) revealed that curcumin addition led to decrease in surface area (from 829.6 m2/g to 679.92 m2/g) and porosity, as well as alterations in particle size (from 0.162 to 0.068 μm) and shape from octahedral to spherical. The release behavior of curcumin exhibited pH-dependent profiles, with cumulative releases (∼20 % at pH 4.8, and 30.56 % at pH 7.4) fitting Kosmeyer-Peppas model. Biological activity assays indicated non-toxicity, suggesting potential for curcumin delivery. © 2024

关键词： Bioactivity

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Construction of dual Z-scheme Ag3VO4–BiVO4/InVO4 photocatalysts using vanadium source from spent catalysts for contaminated water treatment and bacterial inactivation

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Chemosphere 2024年 363卷 142746页

作者： Lee, Kuen-Chan Hsu, Shih-Chieh Huang, Jen-Hsien Wang, Kuan-Syun Pang, Wei Kong Hu, Chih-Wei Jiang, Yi-Jhen Cho, Er-Chieh Weng, Huei Chu Liu, Ting-Yu Department of Science Education National Taipei University of Education No. 134 Sec. 2 Heping E. Road Da-an District Taipei City106 Taiwan PhD Program in Medical Neuroscience College of Medical Science and Technology Taipei Medical University 250 Wuxing Street Taipei City110 Taiwan Department of Chemical and Materials Engineering Tamkang University No. 151 Yingzhuan Road Tamsui District New Taipei City25137 Taiwan Department of Green Material Technology Green Technology Research Institute CPC Corporation No.2 Zuonan Rd. Nanzi District Kaohsiung City81126 Taiwan Department of Materials Engineering Ming Chi University of Technology New Taipei City243303 Taiwan Faculty of Engineering Institute for Superconducting & Electronic Materials University of Wollongong WollongongNSW Australia National Synchrotron Radiation Research Center 101 Hsin-Ann Road Hsinchu Science Park Hsinchu30076 Taiwan School of Pharmacy College of Pharmacy Taipei Medical University 250 Wuxing Street Taipei City110 Taiwan Department of Mechanical Engineering Chung Yuan Christian University No. 200 Chungpei Road Chungli District Taoyuan City32023 Taiwan Department of Chemical Engineering and Materials Science Yuan Ze University Taoyuan City32003 Taiwan College of Engineering & Center for Sustainability and Energy Technologies Chang Gung University Taoyuan33302 Taiwan

Vanadate-based photocatalysts have recently attracted substantial attention owing to their outstanding photocatalytic activity for degrading organic pollutants and generating energy via photocatalytic processes. However, the relatively high price of vanadium has hindered the development of vanadate-based photocatalysts for various applications. Spent catalysts obtained from oil refineries typically contain a significant quantity of vanadium, making them valuable for recovery and utilization as precursors for the production of high-value-added photocatalysts. In this study, we transformed the V present in spent catalysts produced by the petrochemical industry into ternary vanadate-based photocatalysts [BiVO4/InVO4/Ag3VO4 (BVO/IVO/AVO, respectively)] designed for water remediation. The ternary composites revealed an enhanced photocatalytic capability, which was 1.42 and 5.1 times higher than those of the binary BVO/IVO and pristine AVO due to the facilitated charge separation. The ternary photocatalysts not only effectively treated wastewater containing various organic dyes, such as methylene blue (MB), rhodamine 6G (R6G), and brilliant green (BG), but also exhibited remarkable photocatalytic performance in the degradation of antibiotics, reduction of Cr(VI), and bacterial inactivation. This paper proposes a feasible route for recycling industrial waste as a source of vanadium to produce highly efficient vanadate-based photocatalysts. © 2024 Elsevier Ltd

关键词： Water pollution

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Van der Waals device integration beyond the limits of van der Waals forces using adhesive matrix transfer

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Nature Electronics 2024年第1期7卷 17-28页

作者： Satterthwaite, Peter F. Zhu, Weikun Jastrzebska-Perfect, Patricia Tang, Melbourne Spector, Sarah O. Gao, Hongze Kitadai, Hikari Lu, Ang-Yu Tan, Qishuo Tang, Shin-Yi Chueh, Yu-Lun Kuo, Chia-Nung Lue, Chin Shan Kong, Jing Ling, Xi Niroui, Farnaz Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology CambridgeMA United States Research Laboratory of Electronics Massachusetts Institute of Technology CambridgeMA United States Department of Chemical Engineering Massachusetts Institute of Technology CambridgeMA United States Department of Physics Massachusetts Institute of Technology CambridgeMA United States Department of Chemistry Boston University BostonMA United States Department of Materials Science and Engineering National Tsing Hua University Hsinchu Taiwan Semiconductor Research Center Hon Hai Research Institute Taipei Taiwan College of Semiconductor Research National Tsing Hua University Hsinchu Taiwan Department of Physics National Cheng Kung University Tainan Taiwan Taiwan Consortium of Emergent Crystalline Materials National Science and Technology Council Taipei Taiwan Program on Key Materials Academy of Innovative Semiconductor and Sustainable Manufacturing National Cheng Kung University Tainan Taiwan Division of Materials Science and Engineering Boston University BostonMA United States The Photonics Center Boston University BostonMA United States

Pristine van der Waals (vdW) heterostructures formed between two-dimensional (2D) and other materials can be used to create optical and electronic devices. However, the weak vdW forces alone do not allow direct physical stacking of arbitrary layers. As a result, vdW heterostructure fabrication typically requires solvents, sacrificial layers or high temperatures, which can introduce damage and contaminants. Here, we show that adhesive matrix transfer can eliminate these limitations and can provide vdW integration beyond the limits of vdW forces. In the approach, a hybrid high- and low-adhesion surface is used to decouple the forces driving the transfer from the vdW forces defining the heterostructure of interest. We show that the technique can be used to achieve direct vdW integration of diverse 2D materials (MoS2, WSe2, PtS2 and GaS) with dielectrics (SiO2 and Al2O3), which is conventionally forbidden but critical for active devices and scalable, aligned heterostructure formation. The approach also allows single-step 2D material-to-device integration, which we illustrate by fabricating arrays of monolayer MoS2 transistors. As any exposure to solvents or polymers is avoided, the interfaces and surfaces remain pristine. Thus, intrinsic 2D material properties can be probed without the influence of processing steps. The materials can be further engineered through surface treatments and used to fabricate unconventional device form factors. © 2023, The Author(s), under exclusive licence to Springer Nature Limited.

关键词： Van der Waals forces

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Effect of Applied Potential on the Surface Energy, Wulff Shape and Charge Distribution of Metal Surfaces

SSRN

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SSRN 2022年

作者： Alsunni, Yousef A. Musgrave, Charles B. Chemical Engineering Department King Fahd University of Petroleum and Minerals Dhahran31261 Saudi Arabia Department of Chemical and Biological Engineering University of Colorado Boulder BoulderCO80309 United States Renewable and Sustainable Energy Institute University of Colorado Boulder BoulderCO80309 United States Materials Science and Engineering Program University of Colorado Boulder BoulderCO80309 United States

In this work, we use grand canonical density functional theory to predict the surface energies, Wulff shapes, charge distributions and catalytically active sites of different metal surfaces under electrochemical conditions. We propose a method for computing surface energies from grand canonical density functional theory (GC-DFT) calculations of periodic slab models and use it to predict the surface energies of the facets of Pt, Cu and Ag crystals to predict their Wulff shapes under electrochemical conditions. Our results predict that solvation and the applied potential only slightly affect the Wulff shape of the pure metals studied. We used Bader charge analysis of GC-DFT computed electron densities to investigate the effect of the applied potential on the distribution of electron density over the atoms of the surfaces of Pt, Cu, Ag and the 75-25 Ag-Pt and Au-Ni alloys. This analysis shows that, under an applied potential, charges are not evenly distributed over the surface atoms and that the charges of less coordinated atoms are more sensitive to bias. Our results also show that the most sensitive atom to bias can be used to identify the most favorable adsorption site and thus, the active sites of electrochemical reactions. © 2022, The Authors. All rights reserved.

关键词： Density functional theory

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Metal ratio and bimetal nanoarchitectonics of ammonia-based fluoride complex induced nickel hydroxide and manganese oxide composites as active materials of an energy storage device

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Journal of Energy Storage 2024年 80卷

作者： Hsu, Chuan-Chih Yu, You Zher Wu, Chung-Hsien Lee, Pin-Yan Chen, Hung-Ming Husain, Sadang Kongvarhodom, Chutima Hsiao, Yu-Cheng Lin, Lu-Yin Division of Cardiovascular Surgery Department of Surgery School of Medicine College of Medicine Taipei Medical University Taiwan Division of Cardiovascular Surgery Department of Surgery Taipei Medical University Hospital Taiwan Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei Taiwan Gingen Technology Co. LTD. Rm. 7 10F. No.189 Sec. 2 Keelung Rd. Xinyi Dist. Taipei11054 Taiwan Department of Physics Faculty of Mathematics and Natural Science Lambung Mangkurat University Banjarmasin70124 Indonesia Department of Chemical Engineering King Mongkut's University of Technology Thonburi 126 Pracha-u-thit Toong-kru Bangkok10140 Thailand Department of Chemical Engineering Ming Chi University of Technology New Taipei City24301 Taiwan Cell Physiology and Molecular Image Research Center Wan Fang Hospital Taipei Medical University Taipei11696 Taiwan International PhD Program in Biomedical Engineering College of Biomedical Engineering Taipei Medical University Taipei11031 Taiwan Stanford Byers Center for Biodesign Stanford University CA94305-5428 United States Graduate Institute of Biomedical Optomechatronics College of Biomedical Engineering Taipei Medical University Taipei11031 Taiwan

Nickel and manganese compounds are widely applied as efficient battery-type active materials for energy storage devices, due to high theoretical capacities and abundant redox states for generating redox reactions to store charges. Morphology plays significant roles on energy storage ability. Structure directing agent (SDA) is widely reported to have ability for modulating configurations of active materials and to achieve excellent surface properties. In this work, it is the first time to use NH4BF4 and NH4HF2 as structure directing agents for synthesizing nickel manganese compounds derived from ZIF67 as active materials of energy storage devices. Bimetallic compounds are composed of nickel hydroxide and manganese oxide, which presents the favorable two-dimensional flower-like structure with high surface area and abundant redox states. The largest specific capacitance (CF) of 1358.2 F/g corresponding to the capacity of 226.4 mAh/g are achieved for the bimetallic compound synthesized using the Ni to Mn precursor ratio of 1 to 1 (NiMn11). The energy storage device assembled using NiMn11 and reduced graphene oxide on Ni foams presents a maximum energy density of 11.45 Wh/kg at the power density of 0.35 kW/kg, and excellent long-term stability with the CF retention of 85.6% and Coulombic efficiency of 87.5% after 10,000 cycles. © 2023

关键词： Fluorine compounds

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Addressing challenges for operating electrochemical solar fuels technologies under variable and diurnal conditions

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Frontiers in Energy Research 2024年 12卷

作者： Yap, Kyra M. K. Lee, Sol A. Kistler, Tobias A. Collins, Darci K. Warren, Emily L. Atwater, Harry A. Jaramillo, Thomas F. Xiang, Chengxiang Nielander, Adam C. Department of Chemical Engineering Stanford University StanfordCA United States SUNCAT Center for Interface Science and Catalysis SLAC National Accelerator Laboratory Menlo ParkCA United States Department of Applied Physics and Materials Science California Institute of Technology PasadenaCA United States Chemical Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA United States Chemistry and Nanoscience Center National Renewable Energy Laboratory GoldenCO United States Advanced Energy Systems Graduate Program Colorado School of Mines GoldenCO United States

The outdoor operation of electrochemical solar fuels devices must contend with challenges presented by the cycles of solar irradiance, temperature, and other meteorological factors. Herein, we discuss challenges associated with these fluctuations presented over three timescales, including the effects of diurnal cycling over the course of many days, a single diurnal cycle over the course of hours, and meteorological phenomena that cause fluctuations on the order of seconds to minutes. We also highlight both reaction-independent and reaction-specific effects of variable conditions for the hydrogen evolution reaction and CO2 reduction reaction. We identify key areas of research for advancing the outdoor operation of solar fuels technology and highlight the need for metrics and benchmarks to enable the comparison of diurnal studies across systems and geographical locations. Copyright © 2024 Yap, Lee, Kistler, Collins, Warren, Atwater, Jaramillo, Xiang and Nielander.

关键词： Hydrogen fuels

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Large-Scale Preparation of Strong and Conductive Graphene Fiber Filaments

SSRN

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SSRN 2023年

作者： Shi, Hang Wang, Bo Wang, Lidan Zhang, Peijuan Ming, Xin Hao, Yuanyuan Lu, Jiahao Gao, Yue Gao, Weiwei Sun, Haiyan Xu, Zhen Liu, Yingjun Gao, Chao MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and Engineering Key Laboratory of Adsorption and Separation Materials & Technologies of Zhejiang Province Zhejiang University 38 Zheda Road Hangzhou310027 China Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan030032 China Hangzhou Gaoxi Technol Co. Ltd Hangzhou311113 China International Research Center for X Polymers Zhejiang University China

Graphene fiber has emerged as a promising carbonaceous fiber with excellent integrated properties. Previous laboratory researches have focused on the prototype single fiber, but the fabrication of graphene fiber filaments still remains nearly unexplored. Here, we report the large-scale industrial fabrication of graphene fiber filaments with high strength and superior thermal conductivity. We use stepwise solvent intercalation plastic stretching to improve the uniformity, density and structural order of precursor graphene oxide fiber filaments. The chemical reduction and high-temperature graphitization restore graphene atomic structure and achieve high graphitic crystallinity of filaments. The graphene fiber filaments demonstrate favorable overall performances, including tensile strength of 1.4 GPa, density of 1.9 g/cm3, electrical conductivity of 4.1 × 105 S/m, and thermal conductivity of 1204 W/mK. The fabrication of graphene fiber filaments lays a foundation of their wide applications as textiles and composites and the solvent intercalation plastic stretching could be a general method to fabricate high performance fiber filaments of two-dimensional materials. © 2023, The Authors. All rights reserved.

关键词： Graphene

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Facile Li-Ion Transport via LLTO Scaffold with Crosslinked Polyethylene Glycol Composite Electrolyte for Solid-State Batteries

SSRN

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SSRN 2025年

作者： Lee, Jungkuk Counihan, Michael J. Barai, Pallab Burns, Meghan E. Singh, Vibhu V. Jamnuch, Sasawat Pascal, Tod A. Shrinivasan, Venkat Tepavcevic, Sanja Zhang, Yuepeng Applied Materials Division Argonne National Laboratory LemontIL60439 United States Materials Science Division Argonne National Laboratory LemontIL60439 United States Department of Chemistry University of Illinois Chicago ChicagoIL60607 United States ATLAS Materials Physics Lab Aiiso Yufeng Li Family Department of Chemical and Nano Engineering University of California San Diego La Jolla CA92093 United States Microscopy and Microanalysis Research Group Materials Measurement Science Division National Institute of Standards and Technology GaithersburgMD20899 United States Material Science and Engineering Program University of California San Diego La Jolla CA92093 United States Chemical Sciences and Engineering Division Argonne National Laboratory LemontIL60439 United States

Composite polymer electrolytes (CPEs) hold significant promise for solid-state batteries due to their ability to combine the benefits of inorganic fillers and polymer matrices. However, agglomeration of inorganic fillers can disrupt the formation of a percolation pathway, hindering lithium-ion transport. Here, we developed a stable, porous, and interconnected 3-dimentional LLTO (Li0.33La0.557TiO3) nanofiber scaffold and fabricate CPEs using in-situ crosslinked polyethylene glycol (xPEG). The resulting self-standing LLTOxPEG-65 achieved an ionic conductivity of 5.0 × 10−4 S/cm at 30 °C and a critical current density of 0.5 mA/cm2. A significantly lower activation energy (~0.2 eV) was observed in LLTOxPEG-65 compared to pristine xPEG (0.44 eV), indicating a transition of lithium-ion transport pathways from xPEG to the LLTO scaffold. However, increasing the xPEG content led to a decrease in ionic conductivity and a rise in activation energy, approaching that of pristine xPEG. DFT calculations revealed that Li+ transport in the [010] and [001] planes of LLTO predominantly takes place within the bulk rather than along the surface, while a concerted diffusion mechanism was observed in the [100] plane. Additionally, mesoscale-level computational analysis indicated that the high LLTO scaffold fraction (90 wt %) can ensure transport through the bulk of the fibers even with larger interfacial charge transfer resistance, around 1 Ω·cm2 between LLTO and xPEG. Presence of the highly percolated LLTO scaffold helps to promote efficient Li+ transport through the bulk of LLTO. © 2025, The Authors. All rights reserved.

关键词： Activation energy

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APPLICATION OF THE DIGITAL ANNEALER UNIT IN OPTIMIZING chemical REACTION CONDITIONS FOR ENHANCED PRODUCTION YIELDS

arXiv

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arXiv 2024年

作者： Li, Shih-Cheng Wang, Pei-Hwa Su, Jheng-Wei Chiang, Wei-Yin Huang, Shih-Hsien Lin, Yen-Chu Ou, Chia-Ho Chen, Chih-Yu Insilico Medicine Taiwan Ltd. Taipei City110208 Taiwan Department of Chemical Engineering Massachusetts Institute of Technology CambridgeMA02139 United States Quantum Information Center Chung Yuan Christian University Taoyuan City320314 Taiwan Master Program in Intelligent Computing and Big Data Chung Yuan Christian University Taoyuan City320314 Taiwan Department of Computer Science and Information Engineering National Pingtung University Pingtung City900392 Taiwan

Finding appropriate reaction conditions that yield high product rates in chemical synthesis is crucial for the chemical and pharmaceutical industries. However, due to the vast chemical space, conducting experiments for each possible reaction condition is impractical. Consequently, models such as QSAR (Quantitative Structure-Activity Relationship) or ML (Machine Learning) have been developed to predict the outcomes of reactions and illustrate how reaction conditions affect product yield. Despite these advancements, inferring all possible combinations remains computationally prohibitive when using a conventional CPU. In this work, we explore using a Digital Annealing Unit (DAU) to tackle these large-scale optimization problems more efficiently by solving Quadratic Unconstrained Binary Optimization (QUBO). Two types of QUBO models are constructed in this work: one using quantum annealing and the other using ML. Both models are built and tested on four high-throughput experimentation (HTE) datasets and selected Reaxys datasets. Our results suggest that the performance of models is comparable to classical ML methods (i.e., Random Forest and Multilayer Perceptron (MLP)), while the inference time of our models requires only seconds with a DAU. Additionally, in campaigns involving active learning and autonomous design of reaction conditions to achieve higher reaction yield, our model demonstrates significant improvements by adding new data, showing promise of adopting our method in the iterative nature of such problem settings. Our method can also accelerate the screening of billions of reaction conditions, achieving speeds millions of times faster than traditional computing units in identifying superior conditions. Therefore, leveraging the DAU with our developed QUBO models has the potential to be a valuable tool for innovative chemical synthesis. Copyright © 2024, The Authors. All rights reserved.

关键词： Machine learning

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Spontaneous Vertical Phase Distribution of Multi-Acceptors System Enables High-Efficiency Organic Photovoltaics in Non-Halogenated Solvent and Large-Area Module Application

SSRN

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SSRN 2023年

作者： Kong, Xiangyue Zhan, Lingling Li, Shuixing Yin, Shouchun Qiu, Huayu Fu, Yuang Lu, Xinhui Chen, Zeng Zhu, Haiming Fu, Weifei Chen, Hongzheng Key Laboratory of Organosilicon Chemistry and Materials Technology of Ministry of Education College of Material Chemistry and Chemical Engineering Hangzhou Normal University Hangzhou311121 China State Key Laboratory of Silicon Materials MOE Key Laboratory of Macromolecular Synthesis and Functionalization International Research Center for X Polymers Department of Polymer Science and Engineering Zhejiang University Hangzhou310027 China Department of Physics Chinese University of Hong Kong New Territories999077 Hong Kong Department of Chemistry Zhejiang University Hangzhou310027 China

Building a vertical phase distribution morphology with a simple method is the critical key for high-efficiency organic photovoltaics (OPVs) and their industrial application. Here, OPVs based on a quaternary system with one donor PM6 and three acceptors (L8-BO, BTP-S8, and BTP-S2) were fabricated. The L8-BO-based blend was demonstrated to show unique vertical phase distribution (acceptors enriched on the top surface), leading to an exquisite morphology and superior carrier behaviors, thus power conversion efficiencies (PCEs) of 19.19% (certified as 19.18%) and 19.04% were achieved for chloroform-processed and toluene-processed devices, respectively. The high efficiency obtained from greener solvent is encouraging for commercialization of OPVs. Notably, the device processed with toluene without any additives shows a PCE of 17.28% with good stability, and the upscaled large-area module with a total area of 72.25 cm2 processed in air presents an outstanding PCE of 12.78%. This work provides valuable insights into the fabrication of greener solvent and large-area module OPVs. © 2023, The Authors. All rights reserved.

关键词： Toluene

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