jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bablu Singh | Poorn Prakash Pande | Arbind Chaurasiya | Kajal Kumar Dey | Nandita Kushwaha
Source: International Journal of Environmental & Analytical Chemistry (article, 2024-07-05)
Field: Chemistry — Organic Chemistry

Synthesis and characterisation of novel beta-cyclodextrin based Fe <sub>3</sub> O <sub>4</sub> nanocomposite: adsorption behaviour and photocatalytic dye degradation studies Novel Beta-Cyclodextrin-based Fe3O4 nanocomposite has been synthesised through copolymerisation by incorporating Fe3O4 nanoparticles into the polymer matrix. Ultraviolet-Visible (UV-Visible) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, Thermogravimetric (TGA) analysis, Point of Zero Charge, X-ray diffraction (XRD), and Scanning electron microscopy (SEM) analysis have been used to characterise the Fe3O4 Nanoparticles and β-CDHs@Fe3O4 nanocomposite. The synthesised β-CDHs@Fe3O4 nanocomposite has been utilised for the adsorption of methylene blue (MB) dye from aqueous solutions. The maximum percentage removal of MB dye at optimum pH 7 and was found to be 98.51%. The adsorption capacity (qe) of β-CDHs@Fe3O4 nanocomposite has been found to be 268.09 mg/g at optimum dosages 1.2 g/L, pH 7, temperature 25°C, concentration 100 mg/L and an agitation speed of 200 rpm. Adsorption data have been fitted with three isotherm models namely Langmuir, Freundlich, and Temkin, and it was found to be the best fit with the Langmuir isotherm model. Kinetic studies like the pseudo-first order, pseudo-second order, and intra-particle diffusion model were also performed to study the adsorption mechanism. Further, thermodynamic studies demonstrate that the reaction was exothermic and spontaneous. Photocatalytic degradation of MB dye under visible light has also been studied, and 79.01% degradation of the dye was observed. Also, desorption of the nanocomposite was performed, and it was found to be reusable up to 5 times with 90% dye-desorption in the fifth cycle. Nanocomposite ; Adsorption ; Photocatalysis ; Cyclodextrin ; Degradation (telecommunications) ; Chemical engineering ; Materials science ; Nuclear chemistry ; Chemistry ; Organic chemistry ; Nanotechnology ; Catalysis Nanomaterials for catalytic reactions ; Nanoparticle-Based Drug Delivery
Authors: Weranga Rajapaksha | Irosha H. W. Nicholas | Tharanga Thoradeniya | D. Nedra Karunaratne | Veranja Karunaratne
Source: RSC Pharmaceutics (article, 2024-01-01)
Field: Materials Science — Biomaterials

Novel alginate nanoparticles for the simultaneous delivery of iron and folate: a potential nano-drug delivery system for anaemic patients Novel alginate nanocarriers for dual iron and folate delivery: a pH-responsive system for enhanced oral bioavailability in anaemia. Drug delivery ; Drug ; Nanoparticle ; Nanotechnology ; Nano- ; Medicine ; Pharmacology ; Materials science Nanoparticle-Based Drug Delivery ; Drug Solubulity and Delivery Systems ; Advanced Drug Delivery Systems
Authors: W. M. Youssef | M. M. El-Maadawy | Ahmed M. Masoud | Islam G. Alhindawy | A. E. M. Hussein
Source: Environmental Monitoring and Assessment (article, 2024-04-04)
Field: Chemistry — Inorganic Chemistry

Uranium capture from aqueous solution using palm-waste based activated carbon: sorption kinetics and equilibrium Carbonaceous materials produced from agricultural waste (palm kernel shell) by pyrolysis can be a proper type of low-cost adsorbent for wide uses in radioactive effluent treatment. In this context, the as-produced bio-char (labeled as PBC) and its sub-driven sulfuric acid and zinc oxide activated carbons (labeled as PBC-SA, and PBC-Zn respectively) were employed as adsorbents for uranium sorption from aqueous solution. Various analytical techniques, including SEM (Scanning Electron Microscopy), EXD (X-ray Diffraction), BET (Brunauer-Emmett-Teller), FTIR (Fourier Transform Infrared Spectroscopy), and Zeta potential, provide insights into the material characteristics. Kinetic and isotherm investigations illuminated that the sorption process using the three sorbents is nicely fitted with Pseudo-second-order-kinetic and Langmuir isotherm models. The picked data display that the equilibrium time was 60 min, and the maximum sorption capacity was 9.89, 16.8, and 21.9 mg/g for PBC, PBC-SA, and PBC-Zn respectively, which reflects the highest affinity for zinc oxide, activated bio-char, among the three adsorbents, for uranium taking out from radioactive wastewater. Sorption thermodynamics declare that the sorption of U(VI) is an exothermic, spontaneous, and feasible process. About 92% of the uranium-loaded PBC-Zn sorbent was eluted using 1.0 M CH<sub>3</sub>COONa sodium ethanoate solution, and the sorbent demonstrated proper stability for 5 consecutive sorption/desorption cycles. Sorption ; Activated carbon ; Uranium ; Aqueous solution ; Kinetics ; Chemistry ; Environmental chemistry ; Carbon fibers ; Radioactive waste ; Environmental science ; Adsorption ; Waste management ; Radiochemistry ; Nuclear chemistry ; Materials science ; Organic chemistry Radioactive element chemistry and processing ; Extraction and Separation Processes ; Adsorption and biosorption for pollutant removal
Authors: Zheao Huang | Zhouzhou Wang | Hannah Rabl | Shaghayegh Naghdi | Qiancheng Zhou | Sabine Schwarz | Doğukan Hazar Apaydın | Ying Yu | Dominik Eder
Source: Nature Communications (article, 2024-10-30)
Field: Chemistry — Inorganic Chemistry

Ligand engineering enhances (photo) electrocatalytic activity and stability of zeolitic imidazolate frameworks via in-situ surface reconstruction The current limitations in utilizing metal-organic frameworks for (photo)electrochemical applications stem from their diminished electrochemical stability. In our study, we illustrate a method to bolster the activity and stability of (photo)electrocatalytically active metal-organic frameworks through ligand engineering. We synthesize four distinct mixed-ligand versions of zeolitic imidazolate framework-67, and conduct a comprehensive investigation into the structural evolution and self-reconstruction during electrocatalytic oxygen evolution reactions. In contrast to the conventional single-ligand ZIF, where the framework undergoes a complete transformation into CoOOH via a stepwise oxidation, the ligand-engineered zeolitic imidazolate frameworks manage to preserve the fundamental framework structure by in-situ forming a protective cobalt (oxy)hydroxide layer on the surface. This surface reconstruction facilitates both conductivity and catalytic activity by one order of magnitude and considerably enhances the (photo)electrochemical stability. This work highlights the vital role of ligand engineering for designing advanced and stable metal-organic frameworks for photo- and electrocatalysis. Zeolitic imidazolate framework ; Imidazolate ; Electrocatalyst ; Metal-organic framework ; Electrochemistry ; Ligand (biochemistry) ; Materials science ; Catalysis ; Surface engineering ; Oxygen evolution ; Nanotechnology ; Chemical engineering ; Chemistry ; Electrode ; Inorganic chemistry ; Adsorption ; Organic chemistry ; Physical chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Polyoxometalates: Synthesis and Applications
Authors: Arka Porey | Seth O. Fremin | Sachchida Nand | Ramon Trevino | William B. Hughes | Shree Krishna Dhakal | Viet D. Nguyen | Samuel G. Greco | Hadi D. Arman | Oleg V. Larionov
Source: ACS Catalysis (article, 2024-04-19)
Field: Chemistry — Organic Chemistry

Multimodal Acridine Photocatalysis Enables Direct Access to Thiols from Carboxylic Acids and Elemental Sulfur Development of photocatalytic systems that facilitate mechanistically divergent steps in complex catalytic manifolds by distinct activation modes can enable previously inaccessible synthetic transformations. However, multimodal photocatalytic systems remain understudied, impeding their implementation in catalytic methodology. We report herein a photocatalytic access to thiols that directly merges the structural diversity of carboxylic acids with the ready availability of elemental sulfur without substrate preactivation. The photocatalytic transformation provides a direct radical-mediated segue to one of the most biologically important and synthetically versatile organosulfur functionalities, whose synthetic accessibility remains largely dominated by two-electron-mediated processes based on toxic and uneconomical reagents and precursors. The two-phase radical process is facilitated by a multimodal catalytic reactivity of acridine photocatalysis that enables both the singlet excited state PCET-mediated decarboxylative carbon-sulfur bond formation and the previously unknown radical reductive disulfur bond cleavage by a photoinduced HAT process in the silane-triplet acridine system. The study points to a significant potential of multimodal photocatalytic systems in providing unexplored directions to previously inaccessible transformations. Photocatalysis ; Chemistry ; Photochemistry ; Photoredox catalysis ; Catalysis ; Combinatorial chemistry ; Sulfur ; Organic chemistry Sulfur-Based Synthesis Techniques ; Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods
Authors: Viswanathan Karthika | Badrinathan Sridharan | Ji Won Nam | Daehun Kim | Hae Gyun Lim
Source: Journal of Nanobiotechnology (article, 2024-03-30)
Field: Materials Science — Materials Chemistry

Neuromodulation by nanozymes and ultrasound during Alzheimer’s disease management Alzheimer's disease (AD) is a neurodegenerative disorder with complex pathogenesis and effective clinical treatment strategies for this disease remain elusive. Interestingly, nanomedicines are under extensive investigation for AD management. Currently, existing redox molecules show highly bioactive property but suffer from instability and high production costs, limiting clinical application for neurological diseases. Compared with natural enzymes, artificial enzymes show high stability, long-lasting catalytic activity, and versatile enzyme-like properties. Further, the selectivity and performance of artificial enzymes can be modulated for neuroinflammation treatments through external stimuli. In this review, we focus on the latest developments of metal, metal oxide, carbon-based and polymer based nanozymes and their catalytic mechanisms. Recent developments in nanozymes for diagnosing and treating AD are emphasized, especially focusing on their potential to regulate pathogenic factors and target sites. Various applications of nanozymes with different stimuli-responsive features were discussed, particularly focusing on nanozymes for treating oxidative stress-related neurological diseases. Noninvasiveness and focused application to deep body regions makes ultrasound (US) an attractive trigger mechanism for nanomedicine. Since a complete cure for AD remains distant, this review outlines the potential of US responsive nanozymes to develop future therapeutic approaches for this chronic neurodegenerative disease and its emergence in AD management. Nanomedicine ; Neuromodulation ; Neuroinflammation ; Disease ; Neuroscience ; Nanotechnology ; Medicine ; Psychology ; Materials science ; Nanoparticle ; Pathology Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Shuyang Liu | Ziyu Gan | Min Jiang | Qian Liao | Yusheng Lu | Hongyao Wang | Zhiyan Xue | Ziyang Chen | Yongqiang Zhang | Xiaobo Yang | Chunying Duan | Yunhe Jin
Source: JACS Au (article, 2024-11-21)
Field: Chemistry — Organic Chemistry

Selective Arene Photonitration via Iron-Complex β-Homolysis Nitroaromatics, as an important member and source of nitrogen-containing aromatics, is bringing enormous economic benefits in fields of pharmaceuticals, dyes, pesticides, functional materials, fertilizers, and explosives. Nonetheless, the notoriously polluting nitration industry, which suffers from excessive discharge of fumes and waste acids, poor functional group tolerance, and tremendous purification difficulty, renders mild, efficient, and environmentally friendly nitration a formidable challenge. Herein, we develop a visible-light-driven biocompatible arene C-H nitration strategy with good efficiency and regioselectivity, marvelous substrate applicability and functional group tolerance, and wide application in scale-up synthesis, total synthesis, and late-stage functionalization. A nitryl radical delivered through unusual β-homolysis of a photoexcited ferric-nitrate complex is proposed to be the key nitrification reagent in this system. Nitration ; Homolysis ; Functional group ; Chemistry ; Regioselectivity ; Organic synthesis ; Environmentally friendly ; Organic chemistry ; Combinatorial chemistry ; Nitrate ; Reagent ; Catalysis ; Radical ; Polymer Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions
Authors: Meiyu Chen | Tianyi Yan | Qinbo Jiang | Jiawen Li | Usman Ali | Yuqi Miao | Shahzad Farooq | Yaqin Hu | Hui Zhang
Source: Food Chemistry (article, 2024-12-19)
Field: Materials Science — Biomaterials

Real-time shrimp freshness detection by anthocyanin-enriched wheat gluten/gelatin electrospun nanofiber films Gelatin ; Shrimp ; Anthocyanin ; Food science ; Nanofiber ; Wheat gluten ; Gluten ; Chemistry ; Electrospinning ; Materials science ; Nanotechnology ; Biochemistry ; Biology ; Organic chemistry ; Fishery Electrospun Nanofibers in Biomedical Applications ; Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Xueyu Hu | Yucun Zhou | Zheyu Luo | Haoyu Li | Nai Shi | Zhijun Liu | Weilin Zhang | Wei‐Ning Wang | Yong Ding | Meilin Liu
Source: Energy & Environmental Science (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Data-driven discovery of electrode materials for protonic ceramic cells A schematic representation of a four-stage data-driven material screening methodology, progressing from uncovering unexplored chemical spaces through high-throughput calculations to validating findings in protonic ceramic cells. Ceramic ; Electrode ; Materials science ; Nanotechnology ; Chemistry ; Metallurgy Machine Learning in Materials Science
Authors: Zi-Hao Xuan | Wen‐Zhen Fang | Guo-Rui Zhao | Wen‐Quan Tao
Source: Applied Energy (article, 2024-10-22)
Field: Materials Science — Materials Chemistry

Optimal gradient designs of catalyst layers for boosting performance: A data-driven-assisted model Boosting (machine learning) ; Gradient boosting ; Catalysis ; Computer science ; Artificial intelligence ; Chemistry Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Fuel Cells and Related Materials
Authors: Hairong Zhang | Junyu Zhang | Caixia Yuan | Dandan Zhang | Di Lu | Simian Chen | Yunlong Wu | Caisheng Wu
Source: TrAC Trends in Analytical Chemistry (article, 2024-06-25)
Field: Chemistry — Spectroscopy

Recent advances in mass spectrometry imaging combined with artificial intelligence for spatially clarifying molecular profiles: Toward biomedical applications Mass spectrometry imaging ; Mass spectrometry ; Computer science ; Computational biology ; Artificial intelligence ; Chemistry ; Biology ; Chromatography Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Runfeng Xiao | Xiaoyan Zhou | Chan Zhang | Xi Liu | Shaobo Han | Canyan Che
Source: Sensors (review, 2024-07-16)
Field: Materials Science — Materials Chemistry

Organic Thermoelectric Materials for Wearable Electronic Devices Wearable electronic devices have emerged as a pivotal technology in healthcare and artificial intelligence robots. Among the materials that are employed in wearable electronic devices, organic thermoelectric materials possess great application potential due to their advantages such as flexibility, easy processing ability, no working noise, being self-powered, applicable in a wide range of scenarios, etc. However, compared with classic conductive materials and inorganic thermoelectric materials, the research on organic thermoelectric materials is still insufficient. In order to improve our understanding of the potential of organic thermoelectric materials in wearable electronic devices, this paper reviews the types of organic thermoelectric materials and composites, their assembly strategies, and their potential applications in wearable electronic devices. This review aims to guide new researchers and offer strategic insights into wearable electronic device development. Wearable computer ; Flexibility (engineering) ; Wearable technology ; Thermoelectric effect ; Electronics ; Computer science ; Materials science ; Thermoelectric materials ; Nanotechnology ; Electrical engineering ; Engineering ; Embedded system Advanced Thermoelectric Materials and Devices ; Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Xinyi Li | Yinghuan Fu | Nannan Wei | Ru‐Jia Yu | Huma Aslam Bhatti | Limin Zhang | Feng Yan | Fan Xia | Andrew G. Ewing | Yi‐Tao Long | Yi‐Lun Ying
Source: Angewandte Chemie International Edition (article, 2024-02-27)
Field: Chemistry — Electrochemistry

Emerging Data Processing Methods for Single‐Entity Electrochemistry Single-entity electrochemistry is a powerful tool that enables the study of electrochemical processes at interfaces and provides insights into the intrinsic chemical and structural heterogeneities of individual entities. Signal processing is a critical aspect of single-entity electrochemical measurements and can be used for data recognition, classification, and interpretation. In this review, we summarize the recent five-year advances in signal processing techniques for single-entity electrochemistry and highlight their importance in obtaining high-quality data and extracting effective features from electrochemical signals, which are generally applicable in single-entity electrochemistry. Moreover, we shed light on electrochemical noise analysis to obtain single-molecule frequency fingerprint spectra that can provide rich information about the ion networks at the interface. By incorporating advanced data analysis tools and artificial intelligence algorithms, single-entity electrochemical measurements would revolutionize the field of single-entity analysis, leading to new fundamental discoveries. Electrochemistry ; Computer science ; Data science ; Chemistry ; Electrode Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Advanced Chemical Sensor Technologies
Authors: Ashna Jose | Émilie Devijver | N. Jakse | Roberta Poloni
Source: Journal of the American Chemical Society (article, 2024-02-26)
Field: Chemistry — Inorganic Chemistry

Informative Training Data for Efficient Property Prediction in Metal–Organic Frameworks by Active Learning In recent data-driven approaches to material discovery, scenarios where target quantities are expensive to compute and measure are often overlooked. In such cases, it becomes imperative to construct a training set that includes the most diverse, representative, and informative samples. Here, a novel regression tree-based active learning algorithm is employed for such a purpose. It is applied to predict the band gap and adsorption properties of metal-organic frameworks (MOFs), a novel class of materials that results from the virtually infinite combinations of their building units. Simpler and low dimensional descriptors, such as those based on stoichiometric and geometric properties, are used to compute the feature space for this model owing to their ability to better represent MOFs in the low data regime. The partitions given by a regression tree constructed on the labeled part of the data set are used to select new samples to be added to the training set, thereby limiting its size while maximizing the prediction quality. Tests on the QMOF, hMOF, and dMOF data sets reveal that our method constructs small training data sets to learn regression models that predict the target properties more efficiently than existing active learning approaches, and with lower variance. Specifically, our active learning approach is highly beneficial when labels are unevenly distributed in the descriptor space and when the label distribution is imbalanced, which is often the case for real world data. The regions defined by the tree help in revealing patterns in the data, thereby offering a unique tool to efficiently analyze complex structure-property relationships in materials and accelerate materials discovery. Tree (set theory) ; Property (philosophy) ; Set (abstract data type) ; Regression ; Machine learning ; Artificial intelligence ; Variance (accounting) ; Chemical space ; Feature (linguistics) ; Measure (data warehouse) ; Class (philosophy) ; Active learning (machine learning) ; Data mining ; Data set ; Computer science ; Chemistry ; Statistics ; Mathematics Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; X-ray Diffraction in Crystallography
Authors: Beyza Uçar | Zahra Gholami | Kateřina Svobodová | Ivana Hradecká | Vladimír Hönig
Source: Foods (review, 2024-06-16)
Field: Chemistry — Spectroscopy

A Comprehensive Study for Determination of Free Fatty Acids in Selected Biological Materials: A Review The quality of oil is highly dependent on its free fatty acid (FFA) content, especially due to increased restrictions on renewable fuels. As a result, there has been a growing interest in free fatty acid determination methods over the last few decades. While various standard methods are currently available, such as the American Oil Chemists Society (AOCS), International Union of Pure and Applied Chemistry (IUPAC), and Japan Oil Chemists' Society (JOCS), to obtain accurate results, there is a pressing need to investigate a fast, accurate, feasible, and eco-friendly methodology for determining FFA in biological materials. This is owing to inadequate characteristics of the methods, such as solvent consumption and reproducibility, among others. This study aims to investigate FFA determination methods to identify suitable approaches and introduce a fresh perspective. Biochemical engineering ; Pulp and paper industry ; European union ; Fatty acid ; Environmental science ; Chemistry ; Process engineering ; Biotechnology ; Organic chemistry ; Engineering ; Business ; Biology Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies ; Metabolomics and Mass Spectrometry Studies