jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhiheng Li | Xin Mao | Desheng Feng | Mengran Li | Xiaoyong Xu | Yadan Luo | Linzhou Zhuang | Rijia Lin | Tianjiu Zhu | Fengli Liang | Zi Huang | Dong Liu | Zifeng Yan | Aijun Du | Zongping Shao | Zhonghua Zhu
Source: Nature Communications (article, 2024-10-29)
Field: Materials Science — Materials Chemistry

Prediction of perovskite oxygen vacancies for oxygen electrocatalysis at different temperatures Efficient catalysts are imperative to accelerate the slow oxygen reaction kinetics for the development of emerging electrochemical energy systems ranging from room-temperature alkaline water electrolysis to high-temperature ceramic fuel cells. In this work, we reveal the role of cationic inductive interactions in predetermining the oxygen vacancy concentrations of 235 cobalt-based and 200 iron-based perovskite catalysts at different temperatures, and this trend can be well predicted from machine learning techniques based on the cationic lattice environment, requiring no heavy computational and experimental inputs. Our results further show that the catalytic activity of the perovskites is strongly correlated with their oxygen vacancy concentration and operating temperatures. We then provide a machine learning-guided route for developing oxygen electrocatalysts suitable for operation at different temperatures with time efficiency and good prediction accuracy. Electrocatalyst ; Oxygen ; Perovskite (structure) ; Oxygen evolution ; Materials science ; Chemistry ; Crystallography ; Electrochemistry ; Physical chemistry ; Electrode Advancements in Solid Oxide Fuel Cells ; Electrocatalysts for Energy Conversion ; Catalysis and Oxidation Reactions
Authors: Felix Richter | Ivan Sinev | Senlu Zhou | Aleksandrs Leitis | Sang‐Hyun Oh | Ming Lun Tseng | Yuri S. Kivshar | Hatice Altug
Source: Advanced Materials (article, 2024-03-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Gradient High‐<i>Q</i> Dielectric Metasurfaces for Broadband Sensing and Control of Vibrational Light‐Matter Coupling Surface-enhanced infrared absorption spectroscopy (SEIRA) has emerged as a powerful technique for ultrasensitive chemical-specific analysis. SEIRA can be realized by employing metasurfaces that can enhance light-matter interactions in the spectral bands of molecular vibrations. Increasing sample complexity emphasizes the need for metasurfaces that can operate simultaneously at different spectral bands, both accessing rich spectral information over a broad band, and resolving subtle differences in the absorption fingerprints through narrow-band resonances. Here, a novel concept of resonance-gradient metasurfaces is introduced, where the required spectral selectivity is achieved via local high-quality-factor (high-Q) resonances, while the continuous coverage of a broad band is enabled by the gradual adjustment of the unit-cell dimensions along the planar structure. The highly tailorable design of the gradient metasurfaces provides flexibility for shaping the spectral sampling density to match the relevant bands of target analytes while keeping a compact device footprint. The versatility of the gradient metasurfaces is demonstrated through several sensing scenarios, including polymer mixture deconvolution, detecting a multistep bioassay, and identification of the onset of vibrational strong coupling regime. The proposed gradient-resonance platform significantly contributes to the rapidly evolving landscape of nonlocal metasurfaces, enabling applications in molecular detection and analysis of fundamental light-matter interaction phenomena. Materials science ; Broadband ; Coupling (piping) ; Dielectric ; Optoelectronics ; Optics ; Composite material ; Physics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Thermal Radiation and Cooling Technologies
Authors: Dashuang Wang | Ping Tuo | Zhilan Du | Xiaoying Liu | Yuxin Zhang
Source: Nano-Micro Letters (review, 2024-12-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Lessons from Nature: Advances and Perspectives in Bionic Microwave Absorption Materials Inspired by the remarkable electromagnetic response capabilities of the complex morphologies and subtle microstructures evolved by natural organisms, this paper delves into the research advancements and future application potential of bionic microwave-absorbing materials (BMAMs). It outlines the significance of achieving high-performance microwave-absorbing materials through ingenious microstructural design and judicious composition selection, while emphasizing the innovative strategies offered by bionic manufacturing. Furthermore, this work meticulously analyzes how inspiration can be drawn from the intricate structures of marine organisms, plants, animals, and non-metallic minerals in nature to devise and develop BMAMs with superior electromagnetic wave absorption properties. Additionally, the paper provides an in-depth exploration of the theoretical underpinnings of BMAMs, particularly the latest breakthroughs in broadband absorption. By incorporating advanced methodologies such as simulation modeling and bionic gradient design, we unravel the scientific principles governing the microwave absorption mechanisms of BMAMs, thereby furnishing a solid theoretical foundation for understanding and optimizing their performance. Ultimately, this review aims to offer valuable insights and inspiration to researchers in related fields, fostering the collective advancement of research on BMAMs. Microwave ; Absorption (acoustics) ; Materials science ; Nanotechnology ; Engineering physics ; Engineering ; Composite material ; Telecommunications Metamaterials and Metasurfaces Applications ; Antenna Design and Analysis ; Advanced Antenna and Metasurface Technologies
Authors: Niloufar Rashidi | Majid Davidson | Vasso Apostolopoulos | Kulmira Nurgali
Source: Journal of Drug Delivery Science and Technology (article, 2024-03-26)
Field: Materials Science — Biomaterials

Nanoparticles in cancer diagnosis and treatment: Progress, challenges, and opportunities Despite considerable progress in patient care, the global incidence of various cancer types continues to rise. Developing safer and more efficient anti-cancer treatment approaches are of great interest. In recent decades, nanotechnology has emerged as a promising and innovative medical approach for cancer diagnosis and treatment. However, as nanomedicine for cancer advances, it is important to understand and address challenges. Herein, we identify gaps in the current understanding of the effectiveness of nanomedicine on clinical outcomes and provide an outlook for the improved application of nanotechnology in medicine. We discuss the use of different types of nanoparticles for cancer diagnosis and therapy and the impact of the use of nanoparticles on the efficiency of existing anti-cancer treatments, such as chemotherapeutic, anti-angiogenic, immunotherapeutic drugs, and radiotherapy. Additionally, an update on the current status of clinical trials for nanoparticle-based treatments is provided. Nanomedicine ; Cancer ; Medicine ; Clinical trial ; Radiation therapy ; Cancer treatment ; Nanotechnology ; Cancer therapy ; Applications of nanotechnology ; Intensive care medicine ; Medical physics ; Risk analysis (engineering) ; Nanoparticle ; Materials science ; Internal medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; RNA Interference and Gene Delivery
Authors: Salma Mortada | Khalid Karrouchi | El Hadki Hamza | Afaf Oulmidi | M. A. Bhat | Hassane Mamad | Youssra Aalilou | Smaail Radi | M’hammed Ansar | Azlarab Masrar | My El Abbés Faouzi
Source: Scientific Reports (article, 2024-01-15)
Field: Chemistry — Organic Chemistry

Synthesis, structural characterizations, in vitro biological evaluation and computational investigations of pyrazole derivatives as potential antidiabetic and antioxidant agents In this study, a two pyrazole derivatives; 2-(5-methyl-1H-pyrazole-3-carbonyl)-N-phenylhydrazine-1-carboxamide (Pyz-1) and 4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol (Pyz-2) were synthesized and characterized by <sup>13</sup>C-NMR, <sup>1</sup>H-NMR, FT-IR, and mass spectrometry. A complete molecular structures optimization, electronic and thermodynamic properties of Pyz-1 and Pyz-2 in gas phase and aqueous solution were predicted by using hybrid B3LYP method with the 6-311++G** basis sets. Pyz-1 and Pyz-2 were evaluated in vitro for their anti-diabetic, antioxidant and xanthine oxidase inhibition activities. For anti-diabetic activity, Pyz-1 and Pyz-2 showed a potent α-glucosidase and α-amylase inhibition with IC<sub>50</sub> values of 75.62 ± 0.56, 95.85 ± 0.92 and 119.3 ± 0.75, 120.2 ± 0.68 µM, respectively, compared to Acarbose (IC<sub>50(α-glucosidase)</sub> = 72.58 ± 0.68 µM, IC<sub>50(α-amylase)</sub> = 115.6 ± 0.574 µM). In xanthine oxidase assay, Pyz-1 and Pyz-2 exhibited remarkable inhibitory ability with IC<sub>50</sub> values 24.32 ± 0.78 and 10.75 ± 0.54 µM, respectively. The result of antioxidant activities showed that the title compounds have considerable antioxidant and radical scavenger abilities. In addition, molecular docking simulation was used to determine the binding modes and energies between the title compounds and α-glucosidase and α-amylase enzymes. Chemistry ; Xanthine oxidase ; Antioxidant ; Pyrazole ; IC50 ; Carbon-13 NMR ; Docking (animal) ; Proton NMR ; Stereochemistry ; Enzyme ; In vitro ; Organic chemistry ; Biochemistry Synthesis and biological activity ; Free Radicals and Antioxidants ; Computational Drug Discovery Methods
Authors: Kamelia Hristova‐Panusheva | Charilaos Xenodochidis | Milena Georgieva | Natalia Krasteva
Source: Pharmaceuticals (article, 2024-05-24)
Field: Materials Science — Biomaterials

Nanoparticle-Mediated Drug Delivery Systems for Precision Targeting in Oncology Nanotechnology has emerged as a transformative force in oncology, facilitating advancements in site-specific cancer therapy and personalized oncomedicine. The development of nanomedicines explicitly targeted to cancer cells represents a pivotal breakthrough, allowing the development of precise interventions. These cancer-cell-targeted nanomedicines operate within the intricate milieu of the tumour microenvironment, further enhancing their therapeutic efficacy. This comprehensive review provides a contemporary perspective on precision cancer medicine and underscores the critical role of nanotechnology in advancing site-specific cancer therapy and personalized oncomedicine. It explores the categorization of nanoparticle types, distinguishing between organic and inorganic variants, and examines their significance in the targeted delivery of anticancer drugs. Current insights into the strategies for developing actively targeted nanomedicines across various cancer types are also provided, thus addressing relevant challenges associated with drug delivery barriers. Promising future directions in personalized cancer nanomedicine approaches are delivered, emphasising the imperative for continued optimization of nanocarriers in precision cancer medicine. The discussion underscores translational research's need to enhance cancer patients' outcomes by refining nanocarrier technologies in nanotechnology-driven, site-specific cancer therapy. Precision oncology ; Medicine ; Drug delivery ; Drug ; Targeted drug delivery ; Medical physics ; Precision medicine ; Oncology ; Pharmacology ; Pathology ; Nanotechnology Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Nanoplatforms for cancer theranostics
Authors: Prashant Kesharwani | Kratika Halwai | Saurav Kumar Jha | Mohammed H. AL Mughram | Salem Salman Almujri | Waleed Hassan Almalki | Amirhossein Sahebkar
Source: Molecular Cancer (review, 2024-10-31)
Field: Materials Science — Biomaterials

Folate-engineered chitosan nanoparticles: next-generation anticancer nanocarriers Chitosan nanoparticles (NPs) are well-recognized as promising vehicles for delivering anticancer drugs due to their distinctive characteristics. They have the potential to enclose hydrophobic anticancer molecules, thereby enhancing their solubilities, permeabilities, and bioavailabilities; without the use of surfactant, i.e., through surfactant-free solubilization. This allows for higher drug concentrations at the tumor sites, prevents excessive toxicity imparted by surfactants, and could circumvent drug resistance. Moreover, biomedical engineers and formulation scientists can also fabricate chitosan NPs to slowly release anticancer agents. This keeps the drugs at the tumor site longer, makes therapy more effective, and lowers the frequency of dosing. Notably, some types of cancer cells (fallopian tube, epithelial tumors of the ovary, and primary peritoneum; lung, kidney, ependymal brain, uterus, breast, colon, and malignant pleural mesothelioma) have overexpression of folate receptors (FRs) on their outer surface, which lets folate-drug conjugate-incorporated NPs to target and kill them more effectively. Strikingly, there is evidence suggesting that the excessively produced FR&αgr (isoforms of the FR) stays consistent throughout treatment in ovarian and endometrial cancer, indicating resistance to conventional treatment; and in this regard, folate-anchored chitosan NPs can overcome it and improve the therapeutic outcomes. Interestingly, overly expressed FRs are present only in certain tumor types, which makes them a promising biomarker for predicting the effectiveness of FR-targeted therapy. On the other hand, the folate-modified chitosan NPs can also enhance the oral absorption of medicines, especially anticancer drugs, and pave the way for effective and long-term low-dose oral metronomic scheduling of poorly soluble and permeable drugs. In this review, we talked briefly about the techniques used to create, characterize, and tailor chitosan-based NPs; and delved deeper into the potential applications of folate-engineered chitosan NPs in treating various cancer types. Nanocarriers ; Chitosan ; Nanoparticle ; Biology ; Nanotechnology ; Nanomedicine ; Cancer research ; Pharmacology ; Computational biology ; Materials science ; Biochemistry Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; RNA Interference and Gene Delivery
Authors: Zeyu Wang | Xue Wang | Xinyue Dai | Tianming Xu | Xiaoqin Qian | Meiqi Chang | Yu Chen
Source: Advanced Materials (article, 2024-03-19)
Field: Materials Science — Materials Chemistry

2D Catalytic Nanozyme Enables Cascade Enzyodynamic Effect‐Boosted and Ca<sup>2+</sup> Overload‐Induced Synergistic Ferroptosis/Apoptosis in Tumor The introduction of glucose oxidase, exhibiting characteristics of glucose consumption and H<sub>2</sub>O<sub>2</sub> production, represents an emerging antineoplastic therapeutic approach that disrupts nutrient supply and promotes efficient generation of reactive oxygen species (ROS). However, the instability of natural enzymes and their low therapeutic efficacy significantly impede their broader application. In this context, 2D Ca<sub>2</sub>Mn<sub>8</sub>O<sub>16</sub> nanosheets (CMO NSs) designed and engineered to serve as a high-performance nanozyme, enhancing the enzyodynamic effect for a ferroptosis-apoptosis synergistic tumor therapy, are presented. In addition to mimicking activities of glutathione peroxidase, catalase, oxidase, and peroxidase, the engineered CMO NSs exhibit glucose oxidase-mimicking activities. This feature contributes to their antitumor performance through cascade catalytic reactions, involving the disruption of glucose supply, self-supply of H<sub>2</sub>O<sub>2</sub>, and subsequent efficient ROS generation. The exogenous Ca<sup>2+</sup> released from CMO NSs, along with the endogenous Ca<sup>2+</sup> enrichment induced by ROS from the peroxidase- and oxidase-mimicking activities of CMO NSs, collectively mediate Ca<sup>2+</sup> overload, leading to apoptosis. Importantly, the ferroptosis process is triggered synchronously through ROS output and glutathione consumption. The application of exogenous ultrasound stimulation further enhances the efficiency of ferroptosis-apoptosis synergistic tumor treatment. This work underscores the crucial role of enzyodynamic performance in ferroptosis-apoptosis synergistic therapy against tumors. Reactive oxygen species ; Glucose oxidase ; Catalase ; NADPH oxidase ; Apoptosis ; Context (archaeology) ; Cell biology ; Peroxidase ; Oxidative stress ; Chemistry ; Cancer research ; Biochemistry ; Enzyme ; Biology Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Mohammad Hosseini Hooshiar | Ashkan Badkoobeh | Shirin Kolahdouz | Azadeh Tadayonfard | Asieh Mozaffari | Kamyar Nasiri | Sara Salari | Reza Safaralizadeh | Saman Yasamineh
Source: Journal of Nanobiotechnology (review, 2024-04-25)
Field: Materials Science — Materials Chemistry

The potential use of nanozymes as an antibacterial agents in oral infection, periodontitis, and peri-implantitis Several studies suggest that oral pathogenic biofilms cause persistent oral infections. Among these is periodontitis, a prevalent condition brought on by plaque biofilm. It can even result in tooth loss. Furthermore, the accumulation of germs around a dental implant may lead to peri-implantitis, which damages the surrounding bone and gum tissue. Furthermore, bacterial biofilm contamination on the implant causes soft tissue irritation and adjacent bone resorption, severely compromising dental health. On decontaminated implant surfaces, however, re-osseointegration cannot be induced by standard biofilm removal techniques such as mechanical cleaning and antiseptic treatment. A family of nanoparticles known as nanozymes (NZs) comprise highly catalytically active multivalent metal components. The most often employed NZs with antibacterial activity are those that have peroxidase (POD) activity, among other types of NZs. Since NZs are less expensive, more easily produced, and more stable than natural enzymes, they hold great promise for use in various applications, including treating microbial infections. NZs have significantly contributed to studying implant success rates and periodontal health maintenance in periodontics and implantology. An extensive analysis of the research on various NZs and their applications in managing oral health conditions, including dental caries, dental pulp disorders, oral ulcers, peri-implantitis, and bacterial infections of the mouth. To combat bacteria, this review concentrates on NZs that imitate the activity of enzymes in implantology and periodontology. With a view to the future, there are several ways that NZs might be used to treat dental disorders antibacterially. Peri-implantitis ; Periodontology ; Periodontitis ; Dentistry ; Biofilm ; Medicine ; Porphyromonas gingivalis ; Dental plaque ; Implant ; Biology ; Bacteria Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications
Authors: V.C. Deivayanai | P. Thamarai | S. Karishma | A. Saravanan | P.R. Yaashikaa | A.S. Vickram | R.V. Hemavathy | R Rohith Kumar | S Rishikesavan | S Shruthi
Source: Cancer Pathogenesis and Therapy (review, 2024-12-09)
Field: Materials Science — Biomaterials

Advances in nanoparticle-mediated cancer therapeutics: Current research and future perspectives One in six deaths worldwide is caused by cancer, making it a major global health concern. Despite their effectiveness, traditional treatment approaches such as radiation therapy, chemotherapy, and surgery frequently have negative side effects and high costs. New approaches, such as gene therapy, are promising but are hampered by high costs and accessibility problems. Nanoparticles (NPs) facilitate targeted drug delivery by leveraging passive targeting mechanisms, such as the enhanced permeability and retention (EPR) effect, and by actively targeting surfaces with ligands for site-specific binding through the functionalization of surfaces. This approach enhances therapeutic results while lowering off-target toxicities. Notably, chemotherapeutic medications, immunotherapeutic agents, and photothermal therapies can now be delivered more precisely to the affected site using NP-based systems. By boosting particularity, reducing side effects, and tackling drug resistance, nanomedicine has the potential to revolutionize cancer treatment and ultimately advance personalized oncological care. These advancements highlight the possibilities for field growth, and future development regulations are detailed. Current (fluid) ; Nanotechnology ; Cancer ; Medicine ; Engineering ethics ; Engineering ; Materials science ; Internal medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Liu Zhang | Jincun Liu | Yaoguang Wei | Dong An | Xin Ning
Source: Information Fusion (article, 2024-11-23)
Field: Chemistry — Analytical Chemistry

Self-supervised learning-based multi-source spectral fusion for fruit quality evaluation: A case study in mango fruit ripeness prediction Ripeness ; Computer science ; Quality (philosophy) ; Artificial intelligence ; Fusion ; Machine learning ; Pattern recognition (psychology) ; Horticulture ; Biology ; Ripening ; Linguistics ; Physics Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Smart Agriculture and AI
Authors: Cedric Devos | Ariana Bampouli | Elena Brozzi | Georgios D. Stefanidis | Michiel Dusselier | Tom Van Gerven | Simon Kuhn
Source: Chemical Society Reviews (review, 2024-10-23)
Field: Materials Science — Materials Chemistry

Ultrasound mechanisms and their effect on solid synthesis and processing: a review Ultrasound proves to be an effective technique for intensifying a wide range of processes involving solids and, as such, is often used to improve control over both solids formation and post-treatment stages. The intensifying capabilities of ultrasonic processing are best interpreted in the context of the chemical, transport, and mechanical effects that occur during sonication. This review presents an overview of how ultrasound influences the processing and synthesis of solids across various material classes, contextualized within an ultrasound effect framework. By describing the mechanisms underlying the different effects of ultrasound on the solid synthesis and processing, this review aims to facilitate a deeper understanding of the current literature in the field and to promote more effective utilization of ultrasound technology in solid synthesis and processing. Ultrasound ; Ultrasonic sensor ; Range (aeronautics) ; Process engineering ; Materials science ; Computer science ; Medicine ; Engineering ; Radiology ; Composite material Ultrasound and Cavitation Phenomena ; Crystallization and Solubility Studies ; Calcium Carbonate Crystallization and Inhibition