jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Harjot Kaur | Nishu Devi | Samarjeet Singh Siwal | Walaa F. Alsanie | Manju Kumari Thakur | Vijay Kumar Thakur
Source: ACS Omega (review, 2023-02-28)
Field: Chemistry — Inorganic Chemistry

Metal–Organic Framework-Based Materials for Wastewater Treatment: Superior Adsorbent Materials for the Removal of Hazardous Pollutants In previous years, different pollutants, for example, organic dyes, antibiotics, heavy metals, pharmaceuticals, and agricultural pollutants, have been of note to the water enterprise due to their insufficient reduction during standard water and wastewater processing methods. MOFs have been found to have potential toward wastewater management. This Review focused on the synthesis process (such as traditional, electrochemical, microwave, sonochemical, mechanochemical, and continuous-flow spray-drying method) of MOF materials. Moreover, the properties of the MOF materials have been discussed in detail. Further, MOF materials' applications for wastewater treatment (such as the removal of antibiotics, organic dyes, heavy metal ions, and agricultural waste) have been discussed. Additionally, we have compared the performances of some typical MOFs-based materials with those of other commonly used materials. Finally, the study's current challenges, future prospects, and outlook have been highlighted. Wastewater ; Pollutant ; Hazardous waste ; Sewage treatment ; Waste management ; Adsorption ; Materials science ; Hazardous air pollutants ; Environmental science ; Chemistry ; Engineering ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Magnesium Oxide Properties and Applications ; Covalent Organic Framework Applications
Authors: Ahmed A. Al‐Amiery | Wan Nor Roslam Wan Isahak | Waleed Khalid Al‐Azzawi
Source: Lubricants (article, 2023-04-11)
Field: Materials Science — Materials Chemistry

Corrosion Inhibitors: Natural and Synthetic Organic Inhibitors Corrosion is a major challenge in various industries and can cause significant damage to metal structures. Organic corrosion inhibitors are compounds that are used to reduce or prevent corrosion by forming a protective film on metal surfaces. The present review article focuses on natural and synthetic organic corrosion inhibitors and their classifications, active functional groups, and efficiency estimations. Furthermore, previous studies on the use of natural and synthetic organic inhibitors are discussed, along with adsorption isotherms and mechanisms of organic corrosion inhibitors. The kinetics of corrosion modeling are also discussed, providing insights into the effectiveness of organic inhibitors at reducing corrosion. This review aims to provide a comprehensive overview of the current knowledge on organic corrosion inhibitors, with the aim of promoting their wider use in corrosion protection. Corrosion ; Materials science ; Adsorption ; Biochemical engineering ; Metallurgy ; Chemistry ; Organic chemistry ; Engineering Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Yize Li | Yongchao Dou | Felipe da Veiga Leprevost | Yifat Geffen | Anna Calinawan | François Aguet | Yo Akiyama | Shankara Anand | Chet Birger | Song Cao | Rubina Chaudhary | Padmini Chilappagari | Marcin Cieślik | Antonio Colaprico | Daniel Cui Zhou | Corbin Day | Marcin J. Domagalski | Myvizhi Esai Selvan | David Fenyö | Steven M. Foltz | Alicia Francis | Tania J González-Robles | Zeynep H. Gümüş | David I. Heiman | Michael Holck | Runyu Hong | Yingwei Hu | Eric J. Jaehnig | Jiayi Ji | Wen Jiang | Lizabeth Katsnelson | Karen A. Ketchum | Robert J. Klein | Jonathan T. Lei | Wen-Wei Liang | Yuxing Liao | Caleb M. Lindgren | Weiping Ma | Lei Ma | Michael J. MacCoss | Fernanda Martins Rodrigues | Wilson McKerrow | Ngoc B. Nguyen | Robert Oldroyd | Alexander Pilozzi | Pietro Pugliese | Boris Reva | Paul A. Rudnick | Kelly V. Ruggles | Dmitry Rykunov | Sara R. Savage | Michael Schnaubelt | Tobias Schraink | Zhiao Shi | Deepak Singhal | Xiaoyu Song | Erik Storrs | Nadezhda V. Terekhanova | Ratna R. Thangudu | Mathangi Thiagarajan | Liang-Bo Wang | Joshua M. Wang | Ying Wang | Bo Wen | Yige Wu | Matthew A. Wyczalkowski | Xin Yi | Lijun Yao | Xinpei Yi | Hui Zhang | Qing Zhang | Maya Zuhl | Gad Getz | Li Ding | Alexey I. Nesvizhskii | Pei Wang | Ana I. Robles | Bing Zhang | Samuel Payne | Alexander J. Lazar | Amanda G. Paulovich | Antonio Iavarone | Arul M. Chinnaiyan | Brian Druker | Chandan Kumar‐Sinha | Chelsea J. Newton | Chen Huang | D.R. Mani | Richard Smith | Emily M. Huntsman | Eric E. Schadt | Eunkyung An | Francesca Petralia | Galen Hostetter | Gilbert S. Omenn | Hanbyul Cho | Henry Rodriguez | Iga Kołodziejczak
Source: Cancer Cell (review, 2023-08-01)
Field: Chemistry — Spectroscopy

Proteogenomic data and resources for pan-cancer analysis The National Cancer Institute's Clinical Proteomic Tumor Analysis Consortium (CPTAC) investigates tumors from a proteogenomic perspective, creating rich multi-omics datasets connecting genomic aberrations to cancer phenotypes. To facilitate pan-cancer investigations, we have generated harmonized genomic, transcriptomic, proteomic, and clinical data for >1000 tumors in 10 cohorts to create a cohesive and powerful dataset for scientific discovery. We outline efforts by the CPTAC pan-cancer working group in data harmonization, data dissemination, and computational resources for aiding biological discoveries. We also discuss challenges for multi-omics data integration and analysis, specifically the unique challenges of working with both nucleotide sequencing and mass spectrometry proteomics data. Proteogenomics ; Proteomics ; Computational biology ; Biology ; Genomics ; Cancer ; Harmonization ; Proteome ; Data integration ; Transcriptome ; Genome ; Data curation ; Bioinformatics ; Data science ; Computer science ; Genetics ; Database ; Gene Advanced Proteomics Techniques and Applications ; Bioinformatics and Genomic Networks ; Cancer Genomics and Diagnostics
Authors: Bing Huang | Guido Falk von Rudorff | O. Anatole von Lilienfeld
Source: Science (review, 2023-07-13)
Field: Materials Science — Materials Chemistry

The central role of density functional theory in the AI age Density functional theory (DFT) plays a pivotal role in chemical and materials science because of its relatively high predictive power, applicability, versatility, and computational efficiency. We review recent progress in machine learning (ML) model developments, which have relied heavily on DFT for synthetic data generation and for the design of model architectures. The general relevance of these developments is placed in a broader context for chemical and materials sciences. DFT-based ML models have reached high efficiency, accuracy, scalability, and transferability and pave the way to the routine use of successful experimental planning software within self-driving laboratories. Density functional theory ; Context (archaeology) ; Relevance (law) ; Computer science ; Transferability ; Scalability ; Artificial intelligence ; Machine learning ; Data science ; Learning theory ; Chemistry ; Biology ; Psychology ; Cognitive psychology ; Computational chemistry Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Various Chemistry Research Topics
Authors: Katsuhiko Ariga
Source: Bulletin of the Chemical Society of Japan (article, 2023-12-01)
Field: Materials Science — Biomaterials

Nanoarchitectonics: the method for everything in materials science Abstract Nanotechnology has revealed the science of the nanoscale. The global challenge that will follow is to build functional materials with the knowledge of nanoscale phenomena. This task is carried out by nanoarchitectonics as a postnanotechnology concept. The goal of nanoarchitectonics is to build functional material systems by architecting atoms, molecules, and nanomaterials as building blocks. Fundamentally, all materials are made of atoms and molecules. Therefore, nanoarchitectonics, which architects materials from atoms and molecules, can be a universal way to create all materials. It may be said to be the method for everything in materials science. From atoms and molecules, which are basic units, to living cells, which are complex systems, all are components of nanoarchitectonics. This paper presents recent examples of nanoarchitectonics research at various size levels, from the atomic to the cellular level, specifically, (i) atomistic nanoarchitectonics, (ii) molecular nanoarchitectonics, (iii) supramolecular nanoarchitectonics, (iv) inorganic nanoarchitectonics, (v) biomolecular nanoarchitectonics, (vi) cell-mimic nanoarchitectonics, and (vii) cell-based nanoarchitectonics. The possibility of nanoarchitectonics, the method for everything in materials science, as an integrative challenge will then be explored. Nanotechnology ; Chemistry ; Materials science Supramolecular Self-Assembly in Materials ; Machine Learning in Materials Science ; Advanced biosensing and bioanalysis techniques
Authors: Zhe Yan | Sheji Luo | Qi Li | Zhong‐Shuai Wu | Shengzhong Liu
Source: Advanced Science (review, 2023-08-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Advances in Flexible Wearable Supercapacitors: Properties, Fabrication, and Applications A supercapacitor is a potential electrochemical energy storage device with high-power density (PD) for driving flexible, smart, electronic devices. In particular, flexible supercapacitors (FSCs) have reliable mechanical and electrochemical properties and have become an important part of wearable, smart, electronic devices. It is noteworthy that the flexible electrode, electrolyte, separator and current collector all play key roles in overall FSCs. In this review, the unique mechanical properties, structural designs and fabrication methods of each flexible component are systematically classified, summarized and discussed based on the recent progress of FSCs. Further, the practical applications of FSCs are delineated, and the opportunities and challenges of FSCs in wearable technologies are proposed. The development of high-performance FSCs will greatly promote electricity storage toward more practical and widely varying fields. However, with the development of portable equipment, simple FSCs cannot satisfy the needs of integrated and intelligent flexible wearable devices for long durations. It is anticipated that the combining an FSC and a flexible power source such as flexible solar cells is an effective strategy to solve this problem. This review also includes some discussions of flexible self-powered devices. Supercapacitor ; Wearable computer ; Wearable technology ; Energy storage ; Electronics ; Computer science ; Fabrication ; Nanotechnology ; Electrical engineering ; Materials science ; Embedded system ; Power (physics) ; Engineering ; Electrode ; Capacitance Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Kevin Yang | Fengchao Yu | Guo Ci Teo | Kai Li | Vadim Demichev | Markus Ralser | Alexey I. Nesvizhskii
Source: Nature Communications (article, 2023-07-27)
Field: Chemistry — Spectroscopy

MSBooster: improving peptide identification rates using deep learning-based features Peptide identification in liquid chromatography-tandem mass spectrometry (LC-MS/MS) experiments relies on computational algorithms for matching acquired MS/MS spectra against sequences of candidate peptides using database search tools, such as MSFragger. Here, we present a new tool, MSBooster, for rescoring peptide-to-spectrum matches using additional features incorporating deep learning-based predictions of peptide properties, such as LC retention time, ion mobility, and MS/MS spectra. We demonstrate the utility of MSBooster, in tandem with MSFragger and Percolator, in several different workflows, including nonspecific searches (immunopeptidomics), direct identification of peptides from data independent acquisition data, single-cell proteomics, and data generated on an ion mobility separation-enabled timsTOF MS platform. MSBooster is fast, robust, and fully integrated into the widely used FragPipe computational platform. Tandem mass spectrometry ; Computer science ; Identification (biology) ; Workflow ; Database search engine ; Peptide ; Proteomics ; Mass spectrometry ; Tandem ; Computational biology ; Matching (statistics) ; Artificial intelligence ; Chemistry ; Chromatography ; Search engine ; Biology ; Materials science ; Information retrieval ; Database ; Mathematics ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Shruti Hariyani | Małgorzata Sójka | Anant Setlur | Jakoah Brgoch
Source: Nature Reviews Materials (review, 2023-10-09)
Field: Materials Science — Materials Chemistry

A guide to comprehensive phosphor discovery for solid-state lighting Phosphor ; Solid-state lighting ; Workflow ; Computer science ; Light-emitting diode ; Nanotechnology ; Materials science ; Database ; Optoelectronics Luminescence Properties of Advanced Materials ; Advanced Photocatalysis Techniques ; Ammonia Synthesis and Nitrogen Reduction
Authors: M. Shahnawaz Khan | Yixiang Li | Dong‐Sheng Li | Jianbei Qiu | Xuhui Xu | Hui Ying Yang
Source: Nanoscale Advances (review, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

A review of metal–organic framework (MOF) materials as an effective photocatalyst for degradation of organic pollutants Water plays a vital role in all aspects of life. Recently, water pollution has increased exponentially due to various organic and inorganic pollutants. Organic pollutants are hard to degrade; therefore, cost-effective and sustainable approaches are needed to degrade these pollutants. Organic dyes are the major source of organic pollutants from coloring industries. The photoactive metal-organic frameworks (MOFs) offer an ultimate strategy for constructing photocatalysts to degrade pollutants present in wastewater. Therefore, tuning the metal ions/clusters and organic ligands for the better photocatalytic activity of MOFs is a tremendous approach for wastewater treatment. This review comprehensively reports various MOFs and their composites, especially POM-based MOF composites, for the enhanced photocatalytic degradation of organic pollutants in the aqueous phase. A brief discussion on various theoretical aspects such as density functional theory (DFT) and machine learning (ML) related to MOF and MOF composite-based photocatalysts has been presented. Thus, this article may eventually pave the way for applying different structural features to modulate novel porous materials for enhanced photodegradation properties toward organic pollutants. Pollutant ; Photocatalysis ; Metal-organic framework ; Degradation (telecommunications) ; Materials science ; Environmental science ; Environmental chemistry ; Waste management ; Chemistry ; Computer science ; Engineering ; Organic chemistry ; Catalysis ; Adsorption ; Telecommunications Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Gas Sensing Nanomaterials and Sensors
Authors: Yongjian Ai | Mengqi He | Sun Hua | Xiaomeng Jia | Lei Wu | Xinyue Zhang | Hongbin Sun | Qionglin Liang
Source: Advanced Materials (article, 2023-03-30)
Field: Materials Science — Materials Chemistry

Ultra‐Small High‐Entropy Alloy Nanoparticles: Efficient Nanozyme for Enhancing Tumor Photothermal Therapy High-entropy alloys nanoparticles (HEANPs) are receiving extensive attention due to their broad compositional tunability and unlimited potential in bioapplication. However, developing new methods to prepare ultra-small high-entropy alloy nanoparticles (US-HEANPs) faces severe challenges owing to their intrinsic thermodynamic instability. Furthermore, there are few reports on studying the effect of HEANPs in tumor therapy. Herein, the fabricated PtPdRuRhIr US-HEANPs act as bifunctional nanoplatforms for the highly efficient treatment of tumors. The US-HEANPs are engineered by the universal metal-ligand cross-linking strategy. This simple and scalable strategy is based on the aldol condensation of organometallics to form the target US-HEANPs. The synthesized US-HEANPs exhibit excellent peroxidase-like (POD-like) activity and can catalyze the endogenous hydrogen peroxide to produce highly toxic hydroxyl radicals. Furthermore, the US-HEANPs possess a high photothermal conversion effect for converting 808 nm near-infrared light into heat energy. In vivo and in vitro experiments demonstrated that under the synergistic effect of POD-like activity and photothermal action, the US-HEANPs can effectively ablate cancer cells and treat tumors. It is believed that this work not only provides a new perspective for the fabrication of HEANPs, but also opens the high-entropy nanozymes research direction and their biomedical application. Photothermal therapy ; Materials science ; Nanoparticle ; Nanotechnology ; Bifunctional ; Alloy ; Hydrogen peroxide ; Fabrication ; Catalysis ; Chemistry Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Advanced Photocatalysis Techniques
Authors: Minghao Liu | Shuai Yang | Xiubei Yang | Cheng‐Xing Cui | Guojuan Liu | Xuewen Li | Jun He | George Z. Chen | Qing Xu | Gaofeng Zeng
Source: Nature Communications (article, 2023-06-26)
Field: Materials Science — Materials Chemistry

Post-synthetic modification of covalent organic frameworks for CO2 electroreduction Abstract To achieve high-efficiency catalysts for CO 2 reduction reaction, various catalytic metal centres and linker molecules have been assembled into covalent organic frameworks. The amine-linkages enhance the binding ability of CO 2 molecules, and the ionic frameworks enable to improve the electronic conductivity and the charge transfer along the frameworks. However, directly synthesis of covalent organic frameworks with amine-linkages and ionic frameworks is hardly achieved due to the electrostatic repulsion and predicament for the strength of the linkage. Herein, we demonstrate covalent organic frameworks for CO 2 reduction reaction by modulating the linkers and linkages of the template covalent organic framework to build the correlation between the catalytic performance and the structures of covalent organic frameworks. Through the double modifications, the CO 2 binding ability and the electronic states are well tuned, resulting in controllable activity and selectivity for CO 2 reduction reaction. Notably, the dual-functional covalent organic framework achieves high selectivity with a maximum CO Faradaic efficiency of 97.32% and the turnover frequencies value of 9922.68 h −1 , which are higher than those of the base covalent organic framework and the single-modified covalent organic frameworks. Moreover, the theoretical calculations further reveal that the higher activity is attributed to the easier formation of immediate *CO from COOH*. This study provides insights into developing covalent organic frameworks for CO 2 reduction reaction. Covalent bond ; Covalent organic framework ; Chemistry ; Ionic bonding ; Combinatorial chemistry ; Catalysis ; Amine gas treating ; Selectivity ; Molecule ; Non-covalent interactions ; Metal-organic framework ; Nanotechnology ; Materials science ; Organic chemistry ; Adsorption ; Hydrogen bond Covalent Organic Framework Applications ; CO2 Reduction Techniques and Catalysts ; Advanced Photocatalysis Techniques
Authors: Kavita R. Gajbhiye | Rajesh Salve | Mahavir Narwade | Afsana Sheikh | Prashant Kesharwani | Virendra Gajbhiye
Source: Molecular Cancer (review, 2023-10-03)
Field: Materials Science — Biomaterials

Lipid polymer hybrid nanoparticles: a custom-tailored next-generation approach for cancer therapeutics Lipid-based polymeric nanoparticles are the highly popular carrier systems for cancer drug therapy. But presently, detailed investigations have revealed their flaws as drug delivery carriers. Lipid polymer hybrid nanoparticles (LPHNPs) are advanced core-shell nanoconstructs with a polymeric core region enclosed by a lipidic layer, presumed to be derived from both liposomes and polymeric nanounits. This unique concept is of utmost importance as a combinable drug delivery platform in oncology due to its dual structured character. To add advantage and restrict one's limitation by other, LPHNPs have been designed so to gain number of advantages such as stability, high loading of cargo, increased biocompatibility, rate-limiting controlled release, and elevated drug half-lives as well as therapeutic effectiveness while minimizing their drawbacks. The outer shell, in particular, can be functionalized in a variety of ways with stimuli-responsive moieties and ligands to provide intelligent holding and for active targeting of antineoplastic medicines, transport of genes, and theragnostic. This review comprehensively provides insight into recent substantial advancements in developing strategies for treating various cancer using LPHNPs. The bioactivity assessment factors have also been highlighted with a discussion of LPHNPs future clinical prospects. Biology ; Nanoparticle ; Cancer ; Computational biology ; Nanotechnology ; Materials science ; Polymer ; Cancer research ; Bioinformatics ; Genetics Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Nanoplatforms for cancer theranostics
Authors: Paula Barciela | Ana Perez-Vazquez | Miguel A. Prieto
Source: Food and Chemical Toxicology (review, 2023-07-08)
Field: Chemistry — Analytical Chemistry

Azo dyes in the food industry: Features, classification, toxicity, alternatives, and regulation Azo dyes, including Tartrazine, Sunset Yellow, and Carmoisine, are added to foods to provide color, but they have no value with regard to nutrition, food preservation, or health benefits. Because of their availability, affordability, stability, and low cost, and because they provide intense coloration to the product without contributing unwanted flavors, the food industry often prefers to use synthetic azo dyes rather than natural colorants. Food dyes have been tested by regulatory agencies responsible for guaranteeing consumer safety. Nevertheless, the safety of these colorants remains controversial; they have been associated with adverse effects, particularly due to the reduction and cleavage of the azo bond. Here, we review the features, classification, regulation, toxicity, and alternatives to the use of azo dyes in food. Tartrazine ; Food additive ; Food industry ; Food safety ; Toxicity ; Business ; Food science ; Food products ; Chemistry ; Toxicology ; Biology ; Biochemistry ; Organic chemistry Dye analysis and toxicity ; Biochemical Analysis and Sensing Techniques ; Olfactory and Sensory Function Studies