jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Usman M. Ismail | Sagheer A. Onaizi | Muhammad S. Vohra
Source: Nanomaterials (article, 2023-04-18)
Field: Chemistry — Inorganic Chemistry

Aqueous Pb(II) Removal Using ZIF-60: Adsorption Studies, Response Surface Methodology and Machine Learning Predictions Zeolitic imidazolate frameworks (ZIFs) are increasingly gaining attention in many application fields due to their outstanding porosity and thermal stability, among other exceptional characteristics. However, in the domain of water purification via adsorption, scientists have mainly focused on ZIF-8 and, to a lesser extent, ZIF-67. The performance of other ZIFs as water decontaminants is yet to be explored. Hence, this study applied ZIF-60 for the removal of lead from aqueous solutions; this is the first time ZIF-60 has been used in any water treatment adsorption study. The synthesized ZIF-60 was subjected to characterization using FTIR, XRD and TGA. A multivariate approach was used to investigate the effect of adsorption parameters on lead removal and the findings revealed that ZIF-60 dose and lead concentration are the most significant factors affecting the response (i.e., lead removal efficiency). Further, response surface methodology-based regression models were generated. To further explore the adsorption performance of ZIF-60 in removing lead from contaminated water samples, adsorption kinetics, isotherm and thermodynamic investigations were conducted. The findings revealed that the obtained data were well-fitted by the Avrami and pseudo-first-order kinetic models, suggesting that the process is complex. The maximum adsorption capacity (<i>q</i><sub>max</sub>) was predicted to be 1905 mg/g. Thermodynamic studies revealed an endothermic and spontaneous adsorption process. Finally, the experimental data were aggregated and used for machine learning predictions using several algorithms. The model generated by the random forest algorithm proved to be the most effective on the basis of its significant correlation coefficient and minimal root mean square error (RMSE). Adsorption ; Aqueous solution ; Zeolitic imidazolate framework ; Endothermic process ; Response surface methodology ; Materials science ; Porosity ; Fourier transform infrared spectroscopy ; Kinetics ; Chemical engineering ; Thermodynamics ; Chemistry ; Chromatography ; Metal-organic framework ; Physical chemistry ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Arsenic contamination and mitigation
Authors: C. S. Chang | Volker L. Deringer | Kalpana S. Katti | Véronique Van Speybroeck | Christopher Wolverton
Source: Nature Reviews Materials (review, 2023-03-13)
Field: Materials Science — Materials Chemistry

Simulations in the era of exascale computing Supercomputer ; Frontier ; Exascale computing ; Computer science ; China ; FLOPS ; Point (geometry) ; Computational science ; Engineering physics ; Parallel computing ; Political science ; Physics Machine Learning in Materials Science ; Electronic and Structural Properties of Oxides ; Catalysis and Oxidation Reactions
Authors: Jing Huang | Andrew F. G. Quest | Pablo Cruz‐Morales | Kai Deng | J.H. Pereira | Devon Van Cura | Ramu Kakumanu | Edward E. K. Baidoo | Qingyun Dan | Yan Chen | Christopher J. Petzold | Trent R. Northen | Paul D. Adams | Douglas S. Clark | Emily P. Balskus | John F. Hartwig | Aindrila Mukhopadhyay | Jay D. Keasling
Source: Nature (article, 2023-05-03)
Field: Chemistry — Organic Chemistry

Complete integration of carbene-transfer chemistry into biosynthesis Carbene ; Biosynthesis ; Chemistry ; Biochemistry ; Catalysis Cyclopropane Reaction Mechanisms ; Biochemical and Molecular Research ; Biochemical Acid Research Studies
Authors: Liang Zhang | Jinhua Wu | Ying Cui | Hao Sun | Cun‐Zheng Ning
Source: Light Science & Applications (article, 2023-02-06)
Field: Materials Science — Materials Chemistry

Self-optimized single-nanowire photoluminescence thermometry Nanomaterials-based photoluminescence thermometry (PLT) is a new contact-free photonic approach for temperature sensing, important for applications ranging from quantum technology to biomedical imaging and diagnostics. Even though numerous new materials have been explored, great challenges and deficiencies remain that hamper many applications. In contrast to most of the existing approaches that use large ensembles of rare-earth-doped nanomaterials with large volumes and unavoidable inhomogeneity, we demonstrate the ultimate size reduction and simplicity of PLT by using only a single erbium-chloride-silicate (ECS) nanowire. Importantly, we propose and demonstrate a novel strategy that contains a self-optimization or "smart" procedure to automatically identify the best PL intensity ratio for temperature sensing. The automated procedure is used to self-optimize key sensing metrics, such as sensitivity, precision, or resolution to achieve an all-around superior PLT including several record-setting metrics including the first sensitivity exceeding 100% K<sup>-1</sup> (~138% K<sup>-1</sup>), the highest resolution of 0.01 K, and the largest range of sensible temperatures 4-500 K operating completely within 1500-1800 nm (an important biological window). The high-quality ECS nanowire enables the use of well-resolved Stark-sublevels to construct a series of PL intensity ratios for optimization in infrared, allowing the completely Boltzmann-based sensing at cryogenic temperature for the first time. Our single-nanowire PLT and the proposed optimization strategy overcome many existing challenges and could fundamentally impact PL nano-thermometry and related applications such as single-cell thermometry. Nanowire ; Photoluminescence ; Nanomaterials ; Materials science ; Photonics ; Optoelectronics ; Sensitivity (control systems) ; Nanotechnology ; Ranging ; Computer science ; Electronic engineering ; Telecommunications Luminescence Properties of Advanced Materials ; Photoacoustic and Ultrasonic Imaging ; Nanoplatforms for cancer theranostics
Authors: Jianhang Hu | Ying Huang | Carl Redshaw | Zhu Tao | Xin Xiao
Source: Coordination Chemistry Reviews (article, 2023-05-05)
Field: Materials Science — Biomaterials

Cucurbit[n]uril-based supramolecular hydrogels: Synthesis, properties and applications Self-healing hydrogels ; Supramolecular chemistry ; Soft materials ; Cucurbituril ; Chemistry ; Nanotechnology ; Biocompatibility ; Drug delivery ; Materials science ; Polymer chemistry ; Organic chemistry ; Molecule Supramolecular Self-Assembly in Materials ; Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials
Authors: Jixiang Tian | Minmei An | Xiaoang Zhao | Yun Wang | Murtaza Hasan
Source: ACS Omega (review, 2023-03-01)
Field: Materials Science — Materials Chemistry

Advances in Fluorescent Sensing Carbon Dots: An Account of Food Analysis Illuminating the use of nanomaterials, carbon quantum dots (CQDs) have transfigured the food safety arena because of their bright luminescence, optical properties, low toxicity, and enhanced biocompatibility. Therefore, fluorescent resonance energy transfer, photoinduced electron transfer, and an internal filtering effect mechanism allow precise detection of food additives, heavy metal ions, pathogenic bacteria, veterinary drug residues, and food nutrients. In this review, we describe the primal mechanism of CQD-based fluorescence sensors for food safety inspection. This is an abridged description of the nanodesign and future perspectives of more advanced CQD-based sensors for food safety analysis. Fluorescence ; Nanotechnology ; Biocompatibility ; Energy transfer ; Quantum dot ; Photoinduced electron transfer ; Carbon fibers ; Nanomaterials ; Food safety ; Förster resonance energy transfer ; Luminescence ; Materials science ; Carbon quantum dots ; Electron transfer ; Chemistry ; Photochemistry ; Optoelectronics ; Food science ; Optics ; Physics ; Organic chemistry Carbon and Quantum Dots Applications ; Mercury impact and mitigation studies ; Nanocluster Synthesis and Applications
Authors: Raji Atchudan | Suguna Perumal | Thomas Nesakumar Jebakumar Immanuel Edison | Ashok K. Sundramoorthy | Rajangam Vinodh | Sambasivam Sangaraju | Somasundaram Chandra Kishore | Yong Rok Lee
Source: Sensors (article, 2023-01-10)
Field: Materials Science — Materials Chemistry

Natural Nitrogen-Doped Carbon Dots Obtained from Hydrothermal Carbonization of Chebulic Myrobalan and Their Sensing Ability toward Heavy Metal Ions Chebulic Myrobalan is the main ingredient in the Ayurvedic formulation Triphala, which is used for kidney and liver dysfunctions. Herein, natural nitrogen-doped carbon dots (NN-CDs) were prepared from the hydrothermal carbonization of Chebulic Myrobalan and were demonstrated to sense heavy metal ions in an aqueous medium. Briefly, the NN-CDs were developed from Chebulic Myrobalan by a single-step hydrothermal carbonization approach under a mild temperature (200 °C) without any capping and passivation agents. They were then thoroughly characterized to confirm their structural and optical properties. The resulting NN-CDs had small particles (average diameter: 2.5 ± 0.5 nm) with a narrow size distribution (1-4 nm) and a relatable degree of graphitization. They possessed bright and durable fluorescence with excitation-dependent emission behaviors. Further, the as-synthesized NN-CDs were a good fluorometric sensor for the detection of heavy metal ions in an aqueous medium. The NN-CDs showed sensitive and selective sensing platforms for Fe<sup>3+</sup> ions; the detection limit was calculated to be 0.86 μM in the dynamic range of 5-25 μM of the ferric (Fe<sup>3+</sup>) ion concentration. Moreover, these NN-CDs could expand their application as a potential candidate for biomedical applications and offer a new method of hydrothermally carbonizing waste biomass. Carbonization ; Hydrothermal carbonization ; Metal ions in aqueous solution ; Carbon fibers ; Materials science ; Aqueous solution ; Hydrothermal circulation ; Fluorescence ; Ferric ; Metal ; Ion ; Nuclear chemistry ; Inorganic chemistry ; Chemical engineering ; Chemistry ; Scanning electron microscope ; Metallurgy ; Physical chemistry ; Organic chemistry ; Composite material Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Heavy Metal Exposure and Toxicity
Authors: Gerhard Jung | Giulio Biroli | Ludovic Berthier
Source: Physical Review Letters (article, 2023-06-09)
Field: Materials Science — Materials Chemistry

Predicting Dynamic Heterogeneity in Glass-Forming Liquids by Physics-Inspired Machine Learning We introduce GlassMLP, a machine learning framework using physics-inspired structural input to predict the long-time dynamics in deeply supercooled liquids. We apply this deep neural network to atomistic models in 2D and 3D. Its performance is better than the state of the art while being more parsimonious in terms of training data and fitting parameters. GlassMLP quantitatively predicts four-point dynamic correlations and the geometry of dynamic heterogeneity. Transferability across system sizes allows us to efficiently probe the temperature evolution of spatial dynamic correlations, revealing a profound change with temperature in the geometry of rearranging regions. Supercooling ; Transferability ; Statistical physics ; Computer science ; Point (geometry) ; Glass transition ; Artificial neural network ; Artificial intelligence ; Machine learning ; Physics ; Geometry ; Mathematics ; Thermodynamics Material Dynamics and Properties ; Theoretical and Computational Physics ; Phase Equilibria and Thermodynamics
Authors: Chen Chen | Xingjian Xiao | Xin Ye | Jiacheng Sun | Jitao Ji | Rongtao Yu | Wange Song | Shining Zhu | Tao Li
Source: Light Science & Applications (article, 2023-12-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Neural network assisted high-spatial-resolution polarimetry with non-interleaved chiral metasurfaces Polarimetry plays an indispensable role in modern optics. Nevertheless, the current strategies generally suffer from bulky system volume or spatial multiplexing scheme, resulting in limited performances when dealing with inhomogeneous polarizations. Here, we propose a non-interleaved, interferometric method to analyze the polarizations based on a tri-channel chiral metasurface. A deep convolutional neural network is also incorporated to enable fast, robust and accurate polarimetry. Spatially uniform and nonuniform polarizations are both measured through the metasurface experimentally. Distinction between two semblable glasses is also demonstrated. Our strategy features the merits of compactness and high spatial resolution, and would inspire more intriguing design for detecting and sensing. Polarimetry ; Interferometry ; Polarization (electrochemistry) ; Computer science ; Image resolution ; Optics ; Convolutional neural network ; Physics ; Artificial intelligence ; Scattering Metamaterials and Metasurfaces Applications ; Optical Polarization and Ellipsometry ; Orbital Angular Momentum in Optics
Authors: Céline Henoumont | Marie Devreux | Sophie Laurent
Source: Molecules (review, 2023-10-26)
Field: Materials Science — Materials Chemistry

Mn-Based MRI Contrast Agents: An Overview MRI contrast agents are required in the clinic to detect some pathologies, such as cancers. Nevertheless, at the moment, only small extracellular and non-specific gadolinium complexes are available for clinicians. Moreover, safety issues have recently emerged concerning the use of gadolinium complexes; hence, alternatives are urgently needed. Manganese-based MRI contrast agents could be one of these alternatives and increasing numbers of studies are available in the literature. This review aims at synthesizing all the research, from small Mn complexes to nanoparticular agents, including theranostic agents, to highlight all the efforts already made by the scientific community to obtain highly efficient agents but also evidence of the weaknesses of the developed systems. Gadolinium ; Contrast (vision) ; Medicine ; Computer science ; Medical physics ; Chemistry ; Artificial intelligence Lanthanide and Transition Metal Complexes ; Advanced MRI Techniques and Applications ; Nanoparticle-Based Drug Delivery
Authors: Jiani Xie | Huilun Li | Tairan Zhang | Bokai Song | Xinhui Wang | Zhanjun Gu
Source: Nanomaterials (review, 2023-04-27)
Field: Materials Science — Materials Chemistry

Recent Advances in ZnO Nanomaterial-Mediated Biological Applications and Action Mechanisms In recent years, with the deepening research, metal zinc oxide (ZnO) nanomaterials have become a popular research object in the biological field, particularly in biomedicine and food safety, which is attributed to their unique physicochemical properties such as high surface area and volume ratio, luminescence effect, surface characteristics and biological activities. Herein, this review provides a detailed overview of the ZnO nanomaterial-mediated biological applications that involve anti-bacterial, anti-tumor, anti-inflammation, skin care, biological imaging and food packaging applications. Importantly, the corresponding action mechanisms of ZnO nanomaterials are pointed. Additionally, the structure and structure-dependent physicochemical properties, the common synthesis methods and the biosafety of ZnO nanoparticles are revealed in brief. Finally, the significance and future challenges of ZnO nanomaterial applications are concluded. Nanomaterials ; Nanotechnology ; Materials science ; Biosafety ; Medicine Advanced Nanomaterials in Catalysis ; Nanoparticles: synthesis and applications ; Nanoplatforms for cancer theranostics
Authors: M. Gärtner | Hermine Stroescu | Daiana Mitrea | Madalina Nicolescu
Source: Molecules (review, 2023-06-09)
Field: Materials Science — Materials Chemistry

Various Applications of ZnO Thin Films Obtained by Chemical Routes in the Last Decade This review addresses the importance of Zn for obtaining multifunctional materials with interesting properties by following certain preparation strategies: choosing the appropriate synthesis route, doping and co-doping of ZnO films to achieve conductive oxide materials with p- or n-type conductivity, and finally adding polymers in the oxide systems for piezoelectricity enhancement. We mainly followed the results of studies of the last ten years through chemical routes, especially by sol-gel and hydrothermal synthesis. Zinc is an essential element that has a special importance for developing multifunctional materials with various applications. ZnO can be used for the deposition of thin films or for obtaining mixed layers by combining ZnO with other oxides (ZnO-SnO<sub>2</sub>, ZnO-CuO). Also, composite films can be achieved by mixing ZnO with polymers. It can be doped with metals (Li, Na, Mg, Al) or non-metals (B, N, P). Zn is easily incorporated in a matrix and therefore it can be used as a dopant for other oxidic materials, such as: ITO, CuO, BiFeO<sub>3,</sub> and NiO. ZnO can be very useful as a seed layer, for good adherence of the main layer to the substrate, generating nucleation sites for nanowires growth. Thanks to its interesting properties, ZnO is a material with multiple applications in various fields: sensing technology, piezoelectric devices, transparent conductive oxides, solar cells, and photoluminescence applications. Its versatility is the main message of this review. Materials science ; Dopant ; Doping ; Substrate (aquarium) ; Nanotechnology ; Zinc ; Thin film ; Layer (electronics) ; Photoluminescence ; Piezoelectricity ; Chemical bath deposition ; Chemical engineering ; Optoelectronics ; Composite material ; Metallurgy ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Electronic and Structural Properties of Oxides
Authors: Vy Anh Tran | Van Thuan Le | Van‐Dat Doan | Giang N. L. Vo
Source: Pharmaceutics (review, 2023-03-13)
Field: Chemistry — Inorganic Chemistry

Utilization of Functionalized Metal–Organic Framework Nanoparticle as Targeted Drug Delivery System for Cancer Therapy Cancer is a multifaceted disease that results from the complex interaction between genetic and environmental factors. Cancer is a mortal disease with the biggest clinical, societal, and economic burden. Research on better methods of the detection, diagnosis, and treatment of cancer is crucial. Recent advancements in material science have led to the development of metal-organic frameworks, also known as MOFs. MOFs have recently been established as promising and adaptable delivery platforms and target vehicles for cancer therapy. These MOFs have been constructed in a fashion that offers them the capability of drug release that is stimuli-responsive. This feature has the potential to be exploited for cancer therapy that is externally led. This review presents an in-depth summary of the research that has been conducted to date in the field of MOF-based nanoplatforms for cancer therapeutics. Drug delivery ; Cancer therapy ; Targeted drug delivery ; Drug ; Nanotechnology ; Cancer ; Nanoparticle ; Medicine ; Pharmacology ; Materials science ; Internal medicine Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Nanoparticle-Based Drug Delivery
Authors: Nuwandhya S. Dissanayaka | D. K. R. P. L. Dissanayake | Shashi S. Udumann | Tharindu D. Nuwarapaksha | Anjana J. Atapattu
Source: Frontiers in Agronomy (review, 2023-05-23)
Field: Chemistry — Inorganic Chemistry

Agroforestry—a key tool in the climate-smart agriculture context: a review on coconut cultivation in Sri Lanka Long-term monoculture of coconuts has resulted in several land-use-related concerns, such as decreasing land productivity, degraded soil, and ineffective resource utilization on a local and global level. Modifying traditional coconut farming with agroforestry concepts is a well-suited predominant nature-based solution for Sri Lanka as well as for other coconut-growing countries to achieve environmental, social, and economic benefits. By intentionally and intensively integrating annual and perennial plants with farm animals in a dynamic and interactive manner, this land-use system creates a sustainable harmonious mini-ecosystem with landscape restoration. Agroforestry mixed with coconut cultivation decreases the risk of crop failure, generates additional income sources, and balances the ecosystem functions by increasing species richness, enhancing soil physical, biological, and chemical properties, opening new carbon sequestration pathways, purifying air and water sources, and being an excellent feedstock source for bioenergy generation. This environmentally friendly farming will promote the Kyoto Protocol and lessen global warming by limiting the atmospheric buildup of greenhouse gases. A proper and accurate plan is required to implement a successful and profitable long-lived coconut-based agroforestry system. The objective of this paper is to recognize the various agroforestry concepts applicable to coconut-based farming, highlight the wide range of benefits and ecosystem services that can be gained through in-situ and ex-situ agroforestry practices, and explore the challenges that may arise during the integration of agroforestry techniques into a coconut-based farming system. Agroforestry ; Ecosystem services ; Agriculture ; Monoculture ; Greenhouse gas ; Context (archaeology) ; Environmental science ; Business ; Land use ; Sustainability ; Ecosystem ; Geography ; Agronomy ; Ecology Coconut Research and Applications ; Urban Agriculture and Sustainability ; Agroforestry and silvopastoral systems
Authors: Mohammad Habeeb | Huay Woon You | Mutheeswaran Umapathi | R. Kishore Kanna | Hariyadi | Shweta Mishra
Source: Journal of Drug Delivery Science and Technology (article, 2023-11-10)
Field: Materials Science — Biomaterials

Strategies of Artificial intelligence tools in the domain of nanomedicine Nanomedicine is a field of medicine that uses nanotechnology to develop new diagnostic tools and therapies for a wide range of medical conditions. It encompasses a variety of different approaches, including the use of nanoparticles , nano-robots, and nanodevices. Some examples of how nanotechnology is being used in medicine include drug delivery, diagnostics imaging, tissue engineering, and biomedical devices. One of the main advantages of using nanomedicine-based drug delivery is the ability to deliver drugs at fixed and controlled doses. This is achieved by engineering nanoparticles to release drugs at a specific rate, which can be attuned to match the desires of the patient. Determining the optimal combination of nanotherapy, dosages, and administration schedule can be challenging, as it requires a thorough understanding of the pharmacokinetics and pharmacodynamics of the drugs, as well as the patient's individual physiognomies and the stage of the disease. To overcome this challenge, researchers and practitioners are increasingly using computational models, Artificial intelligence and machine learning algorithms, and personalized medicine approaches to predict the optimal drug combination, dosage, and administration schedule for each patient. In this review, we were given the outline of the different Artificial intelligence tools for the prediction of nanomedicine in the field of various medical applications. Nanomedicine ; Drug delivery ; Personalized medicine ; Computer science ; Artificial intelligence ; Nanotechnology ; Medicine ; Bioinformatics ; Materials science ; Nanoparticle Nanoparticle-Based Drug Delivery ; Innovative Microfluidic and Catalytic Techniques Innovation ; 3D Printing in Biomedical Research