jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Peng Deng | Yiming Gao | Mu Li | Xiangang Hu | Fubo Yu | Yuying Jia | Zhenyu Wang | Baoshan Xing
Source: Proceedings of the National Academy of Sciences (article, 2023-06-14)
Field: Materials Science — Materials Chemistry

Development potential of nanoenabled agriculture projected using machine learning The controllability and targeting of nanoparticles (NPs) offer solutions for precise and sustainable agriculture. However, the development potential of nanoenabled agriculture remains unknown. Here, we build an NP-plant database containing 1,174 datasets and predict (<i>R</i><sup>2</sup> higher than 0.8 for 13 random forest models) the response and uptake/transport of various NPs by plants using a machine learning approach. Multiway feature importance analysis quantitatively shows that plant responses are driven by the total NP exposure dose and duration and plant age at exposure, as well as the NP size and zeta potential. Feature interaction and covariance analysis further improve the interpretability of the model and reveal hidden interaction factors (e.g., NP size and zeta potential). Integration of the model, laboratory, and field data suggests that Fe<sub>2</sub>O<sub>3</sub> NP application may inhibit bean growth in Europe due to low night temperatures. In contrast, the risks of oxidative stress are low in Africa because of high night temperatures. According to the prediction, Africa is a suitable area for nanoenabled agriculture. The regional differences and temperature changes make nanoenabled agriculture complicated. In the future, the temperature increase may reduce the oxidative stress in African bean and European maize induced by NPs. This study projects the development potential of nanoenabled agriculture using machine learning, although many more field studies are needed to address the differences at the country and continental scales. Agriculture ; Feature (linguistics) ; Zeta potential ; Random forest ; Interpretability ; Machine learning ; Artificial intelligence ; Computer science ; Nanoparticle ; Biology ; Nanotechnology ; Ecology ; Materials science Nanoparticles: synthesis and applications ; Leaf Properties and Growth Measurement
Authors: Laura Orphal‐Kobin | Kilian Unterguggenberger | Tommaso Pregnolato | Natalia Kemf | Mathias Matalla | Ralph-Stephan Unger | Ina Ostermay | Gregor Pieplow | Tim Schröder
Source: Physical Review X (article, 2023-03-20)
Field: Materials Science — Materials Chemistry

Optically Coherent Nitrogen-Vacancy Defect Centers in Diamond Nanostructures An analysis and improvement of the spectral properties of nitrogen-vacancy defects in diamond nanostructures paves the way for efficient entanglement generation necessary for many quantum information applications. Diamond ; Vacancy defect ; Materials science ; Nitrogen ; Nanostructure ; Nanotechnology ; Engineering physics ; Optoelectronics ; Condensed matter physics ; Physics ; Quantum mechanics ; Metallurgy Diamond and Carbon-based Materials Research ; Graphene research and applications ; Nonlinear Optical Materials Studies
Authors: Michael K. Seery | Hendra Y. Agustian | Frederik Voetmann Christiansen | Bente Gammelgaard | Rie Hjørnegaard Malm
Source: Chemistry Education Research and Practice (article, 2023-12-04)
Field: Chemistry — Physical and Theoretical Chemistry

10 Guiding principles for learning in the laboratory Laboratory work in chemistry has been extensively researched in the last decade but the gap between research and practice is still broad. This Perspective shares 10 guiding principles relating to university laboratory education, drawing on research over the last decade. Written with an audience of practitioners in mind, the Perspective aligns with Hounsell and Hounsell's congruence framework, so that the 10 principles consider all aspects of the laboratory curriculum: design, teaching approaches, and assessment approaches as suggested by Biggs, but additional contextual factors relating to teaching context: backgrounds of students and their support, and overall laboratory organisation and management. After discussing the rationale for each guiding principle, examples of approaches are given from recent literature along with prompts to help enact the guiding principle in practice. Perspective (graphical) ; Engineering ethics ; Curriculum ; Context (archaeology) ; Computer science ; Learning theory ; Management science ; Mathematics education ; Pedagogy ; Psychology ; Engineering ; Artificial intelligence Various Chemistry Research Topics ; Science Education and Pedagogy ; Innovative Teaching Methods
Authors: Zhichao Xu | Di Wu | Cong Fang | Yuanzhe Li
Source: Designed Monomers & Polymers (review, 2023-03-29)
Field: Chemistry — Inorganic Chemistry

Mini-review on the novel synthesis and potential applications of carbazole and its derivatives Microporous organic polymers (MOPs) are a new type of porous materials, which have advantages of synthetic diversity, chemical and physical stability, microporous size controllability, etc. MOPs indicate broad applications in various fields such as heterogeneous catalysis, gas adsorption, separation, and storage. In recent years, MOPs have attracted an enormous attention in greenhouse gas capture due to their great potential in physisorptive gas storage. Carbazole and its derivatives have been studied extensively as Metal-Organic Polyhedra (MOPs) building blocks due to their unique structural features and versatile functionalization possibilities. This paper systematically reviews the synthesis, characterization and application of carbazole-based polymers, and relationship of structures and properties of these polymers. The application of the polymers in carbon dioxide (CO<sub>2</sub>) capture field is analysed taking advantage of their adjustable microporous structure and electron rich properties. This review also provides novel insights regarding functional polymer materials that have high ability of greenhouse gas capture and absorbing selectivity will be obtained by reasonable molecular design and efficient synthesis. Carbazole ; Microporous material ; Polymer ; Nanotechnology ; Materials science ; Chemistry ; Organic chemistry ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation and Gas Transport
Authors: Zenghao Wang | Hongrui Lin | Miaomiao Zhang | Wen Yu | Chuanwei Zhu | Pengcheng Wang | Yiming Huang | Fengting Lv | Haotian Bai | Shu Wang
Source: Materials Horizons (review, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Water-soluble conjugated polymers for bioelectronic systems Bioelectronics is an interdisciplinary field of research that aims to establish a synergy between electronics and biology. Contributing to a deeper understanding of bioelectronic processes and the built bioelectronic systems, a variety of new phenomena, mechanisms and concepts have been derived in the field of biology, medicine, energy, artificial intelligence science, <i>etc.</i> Organic semiconductors can promote the applications of bioelectronics in improving original performance and creating new features for organisms due to their excellent photoelectric and electrical properties. Recently, water-soluble conjugated polymers (WSCPs) have been employed as a class of ideal interface materials to regulate bioelectronic processes between biological systems and electronic systems, relying on their satisfying ionic conductivity, water-solubility, good biocompatibility and the additional mechanical and electrical properties. In this review, we summarize the prominent contributions of WSCPs in the aspect of the regulation of bioelectronic processes and highlight the latest advances in WSCPs for bioelectronic applications, involving biosynthetic systems, photosynthetic systems, biophotovoltaic systems, and bioelectronic devices. The challenges and outlooks of WSCPs in designing high-performance bioelectronic systems are also discussed. Conjugated system ; Polymer ; Materials science ; Nanotechnology ; Chemical engineering ; Engineering ; Composite material Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Organic Electronics and Photovoltaics
Authors: Zhuohao Xiao | Xiaodong Xiao | Ling Bing Kong | Hongbo Dong | Xiu-Ying Li | Bin He | Shuangchen Ruan | Jianpang Zhai | Kun Zhou | Qin Huang | Liang Chu
Source: International Journal of Extreme Manufacturing (article, 2023-12-13)
Field: Materials Science — Materials Chemistry

Preparation of MXene-based hybrids and their application in neuromorphic devices Abstract The traditional von Neumann computing architecture has relatively-low information processing speed and high power consumption, making it difficult to meet the computing needs of artificial intelligence (AI). Neuromorphic computing systems, with massively parallel computing capability and low power consumption, have been considered as an ideal option for data storage and AI computing in the future. Memristor, as the fourth basic electronic component besides resistance, capacitance and inductance, is one of the most competitive candidates for neuromorphic computing systems benefiting from the simple structure, continuously adjustable conductivity state, ultra-low power consumption, high switching speed and compatibility with existing CMOS technology. The memristors with applying MXene-based hybrids have attracted significant attention in recent years. Here, we introduce the latest progress in the synthesis of MXene-based hybrids and summarize their potential applications in memristor devices and neuromorphological intelligence. We explore the development trend of memristors constructed by combining MXenes with other functional materials and emphatically discuss the potential mechanism of MXenes-based memristor devices. Finally, the future prospects and directions of MXene-based memristors are briefly described. Neuromorphic engineering ; Computer architecture ; Computer science ; Materials science ; Nanotechnology ; Artificial intelligence ; Artificial neural network MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; 2D Materials and Applications
Authors: Yi Hu | Lukas Rogée | Weizhen Wang | Lyuchao Zhuang | Fangyi Shi | Hui Dong | Songhua Cai | Beng Kang Tay | Shu Ping Lau
Source: Nature Communications (article, 2023-12-20)
Field: Materials Science — Materials Chemistry

Extendable piezo/ferroelectricity in nonstoichiometric 2D transition metal dichalcogenides Engineering piezo/ferroelectricity in two-dimensional materials holds significant implications for advancing the manufacture of state-of-the-art multifunctional materials. The inborn nonstoichiometric propensity of two-dimensional transition metal dichalcogenides provides a spiffy ready-available solution for breaking inversion centrosymmetry, thereby conducing to circumvent size effect challenges in conventional perovskite oxide ferroelectrics. Here, we show the extendable and ubiquitous piezo/ferroelectricity within nonstoichiometric two-dimensional transition metal dichalcogenides that are predominantly centrosymmetric during standard stoichiometric cases. The emerged piezo/ferroelectric traits are aroused from the sliding of van der Waals layers and displacement of interlayer metal atoms triggered by the Frankel defects of heterogeneous interlayer native metal atom intercalation. We demonstrate two-dimensional chromium selenides nanogenerator and iron tellurides ferroelectric multilevel memristors as two representative applications. This innovative approach to engineering piezo/ferroelectricity in ultrathin transition metal dichalcogenides may provide a potential avenue to consolidate piezo/ferroelectricity with featured two-dimensional materials to fabricate multifunctional materials and distinguished multiferroic. Ferroelectricity ; Materials science ; Transition metal ; van der Waals force ; Nanotechnology ; Condensed matter physics ; Optoelectronics ; Chemistry ; Dielectric ; Physics ; Molecule 2D Materials and Applications ; Perovskite Materials and Applications ; MXene and MAX Phase Materials
Authors: Zhuyushuang Lou | Ling Wang | Kefei Yu | Qufu Weı | Tanveer Hussain | Xin Xia | Huimin Zhou
Source: Journal of Membrane Science (review, 2023-02-09)
Field: Materials Science — Biomaterials

Electrospun PVB/AVE NMs as mask filter layer for win-win effects of filtration and antibacterial activity Filtration (mathematics) ; Materials science ; Composite material Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments ; Advanced Sensor and Energy Harvesting Materials
Authors: Xiaojia Du | Leyi Yang | Nan Liu
Source: Small Science (article, 2023-04-24)
Field: Materials Science — Polymers and Plastics

Recent Progress on Poly(3,4‐Ethylenedioxythiophene):Poly(Styrenesulfonate) Bioelectrodes Sensing bioelectrical signals is of great significance to understand human disease. Reliable bioelectronic interface is the guarantee of high-quality bioelectrical signals. The unique electrochemical property and the mixed ionic and electrical conductivity of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) make it an ideal material for the skin/tissue-electronic interface. However, pristine PEDOT:PSS-based devices cannot meet the requirements for practical use. Toward this end, herein, the development of PEDOT:PSS-based electrodes and their most recent advances in sensing bioelectrical signals are summarized. First, the generation mechanism of bioelectrical signals is introduced in detail. Then, according to the characteristics of bioelectrical signals, the requirements of bioelectrodes are discussed. Next, representative achievements for improving conductivity, stretchability, and stability of PEDOT:PSS are introduced. Bioelectrical signals such as electromyogram (EMG), electrocardiogram (ECG), electrooculogram (EOG), and electroencephalogram (EEG) are successfully recorded by these PEDOT:PSS-based electrodes. Finally, a brief summary is provided, and the opportunities and challenges are also discussed. PEDOT:PSS ; Materials science ; Poly(3,4-ethylenedioxythiophene) ; Electrode ; Interface (matter) ; Conductive polymer ; Computer science ; Nanotechnology ; Biomedical engineering ; Medicine ; Chemistry ; Polymer ; Layer (electronics) ; Composite material Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Muscle activation and electromyography studies
Authors: Rebecca Shu Hui Khoo | Christian Fiankor | Sizhuo Yang | Wenhui Hu | Chongqing Yang | Jingzhi Lu | Martha Morton | Xu Zhang | Yi Liu | Jier Huang | Jian Zhang
Source: Journal of the American Chemical Society (article, 2023-10-25)
Field: Chemistry — Inorganic Chemistry

Postsynthetic Modification of the Nonanuclear Node in a Zirconium Metal–Organic Framework for Photocatalytic Oxidation of Hydrocarbons Heterogeneous catalysis plays an indispensable role in chemical production and energy conversion. Incorporation of transition metals into metal oxides and zeolites is a common strategy to fine-tune the activity and selectivity of the resulting solid catalysts, as either the active center or promotor. Studying the underlying mechanism is however challenging. Decorating the metal-oxo clusters with transition metals in metal-organic frameworks (MOFs) via postsynthetic modification offers a rational approach to construct well-defined structural models for better understanding of the reaction mechanism. Therefore, it is important to expand the materials scope beyond the currently widely studied zirconium MOFs consisting of Zr<sub>6</sub> nodes. In this work, we report the design and synthesis of a new (4,12)-connected Zr-MOF with <b>ith</b> topology that consists of rare Zr<sub>9</sub> nodes. Fe<sup>III</sup> was further incorporated onto the Zr<sub>9</sub> nodes of the framework, and the resulting MOF material exhibits significantly enhanced activity and selectivity toward the photocatalytic oxidation of toluene. This work demonstrates a delicate ligand design strategy to control the nuclearity of Zr-oxo clusters, which further dictates the number and binding sites of transition metals and the overall photocatalytic activity toward C-H activation. Our work paves the way for future exploration of the structure-activity study of catalysts using MOFs as the model system. Chemistry ; Zirconium ; Catalysis ; Metal-organic framework ; Photocatalysis ; Selectivity ; Transition metal ; Ligand (biochemistry) ; Toluene ; Rational design ; Combinatorial chemistry ; Nanotechnology ; Inorganic chemistry ; Organic chemistry ; Materials science ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Polyoxometalates: Synthesis and Applications ; Nanocluster Synthesis and Applications
Authors: Ji‐Jun Chen | Jiayong Zhang | Jia‐Heng Fang | Xuan‐Yi Du | Hai‐Dong Xia | Bin Cheng | Nan Li | Zhang‐Long Yu | Jun-Qian Bian | Fuli Wang | Jingjing Zheng | Weilong Liu | Qiang‐Shuai Gu | Zhong‐Liang Li | Xin‐Yuan Liu
Source: Journal of the American Chemical Society (article, 2023-07-01)
Field: Chemistry — Organic Chemistry

Copper-Catalyzed Enantioconvergent Radical C(sp<sup>3</sup>)–N Cross-Coupling of Activated Racemic Alkyl Halides with (Hetero)aromatic Amines under Ambient Conditions The enantioconvergent C(sp<sup>3</sup>)-N cross-coupling of racemic alkyl halides with (hetero)aromatic amines represents an ideal means to afford enantioenriched <i>N</i>-alkyl (hetero)aromatic amines yet has remained unexplored due to the catalyst poisoning specifically for strong-coordinating heteroaromatic amines. Here, we demonstrate a copper-catalyzed enantioconvergent radical C(sp<sup>3</sup>)-N cross-coupling of activated racemic alkyl halides with (hetero)aromatic amines under ambient conditions. The key to success is the judicious selection of appropriate multidentate anionic ligands through readily fine-tuning both electronic and steric properties for the formation of a stable and rigid chelating Cu complex. Thus, this kind of ligand could not only enhance the reducing capability of a copper catalyst to provide an enantioconvergent radical pathway but also avoid the coordination with other coordinating heteroatoms, thereby overcoming catalyst poisoning and/or chiral ligand displacement. This protocol covers a wide range of coupling partners (89 examples for activated racemic secondary/tertiary alkyl bromides/chlorides and (hetero)aromatic amines) with high functional group compatibility. When allied with follow-up transformations, it provides a highly flexible platform to access synthetically useful enantioenriched amine building blocks. Chemistry ; Halide ; Alkyl ; Catalysis ; Copper ; Organic chemistry ; Medicinal chemistry Catalytic C–H Functionalization Methods ; Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques
Authors: Qiang Ma | Yunling Li | Yawen Tan | Bowen Xu | Jun Cai | Yingjie Zhang | Qingyuan Wang | Qihong Wu | Bowen Yang | Jin Huang
Source: Molecules (review, 2023-09-18)
Field: Chemistry — Inorganic Chemistry

Recent Advances in Metal-Organic Framework (MOF)-Based Photocatalysts: Design Strategies and Applications in Heavy Metal Control The heavy metal contamination of water systems has become a major environmental concern worldwide. Photocatalysis using metal-organic frameworks (MOFs) has emerged as a promising approach for heavy metal remediation, owing to the ability of MOFs to fully degrade contaminants through redox reactions that are driven by photogenerated charge carriers. This review provides a comprehensive analysis of recent developments in MOF-based photocatalysts for removing and decontaminating heavy metals from water. The tunable nature of MOFs allows the rational design of composition and features to enhance light harvesting, charge separation, pollutant absorptivity, and photocatalytic activities. Key strategies employed include metal coordination tuning, organic ligand functionalization, heteroatom doping, plasmonic nanoparticle incorporation, defect engineering, and morphology control. The mechanisms involved in the interactions between MOF photocatalysts and heavy metal contaminants are discussed, including light absorption, charge carrier separation, metal ion adsorption, and photocatalytic redox reactions. The review highlights diverse applications of MOF photocatalysts in treating heavy metals such as lead, mercury, chromium, cadmium, silver, arsenic, nickel, etc. in water remediation. Kinetic modeling provides vital insights into the complex interplay between coupled processes such as adsorption and photocatalytic degradation that influence treatment efficiency. Life cycle assessment (LCA) is also crucial for evaluating the sustainability of MOF-based technologies. By elucidating the latest advances, current challenges, and future opportunities, this review provides insights into the potential of MOF-based photocatalysts as a sustainable technology for addressing the critical issue of heavy metal pollution in water systems. Ongoing efforts are needed to address the issues of stability, recyclability, scalable synthesis, and practical reactor engineering. Metal-organic framework ; Photocatalysis ; Materials science ; Adsorption ; Nanotechnology ; Environmental remediation ; Chemistry ; Contamination ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Mercury impact and mitigation studies
Authors: Rajendra S. Ghadwal
Source: Angewandte Chemie International Edition (review, 2023-05-03)
Field: Chemistry — Organic Chemistry

1,3‐Imidazole‐Based Mesoionic Carbenes and Anionic Dicarbenes: Pushing the Limit of Classical N‐Heterocyclic Carbenes Classical N-heterocyclic carbenes (NHCs) featuring the carbene center at the C2-position of 1,3-imidazole framework (i.e. C2-carbenes) are well acknowledged as very versatile neutral ligands in molecular as well as in materials sciences. The efficiency and success of NHCs in diverse areas is essentially attributed to their persuasive stereoelectronics, in particular the potent σ-donor property. The NHCs with the carbene center at the unusual C4 (or C5) position, the so-called abnormal NHCs (aNHCs) or mesoionic carbenes (iMICs), are however superior σ-donors than C2-carbenes. Hence, iMICs have substantial potential in sustainable synthesis and catalysis. The main obstacle in this direction is rather demanding synthetic accessibility of iMICs. The aim of this review article is to highlight recent advances, particularly by the author's research group, in accessing stable iMICs, quantifying their properties, and exploring their applications in synthesis and catalysis. In addition, the synthetic viability and use of vicinal C4,C5-anionic dicarbenes (ADCs), also based on an 1,3-imidazole framework, are presented. As will be apparent on following pages, iMICs and ADCs hold potentials in pushing the limit of classical NHCs by enabling access to conceptually new main-group heterocycles, radicals, molecular catalysts, ligands sets, and more. Mesoionic ; Imidazole ; Limit (mathematics) ; Chemistry ; Carbene ; Computational chemistry ; Combinatorial chemistry ; Stereochemistry ; Medicinal chemistry ; Mathematics ; Organic chemistry ; Catalysis N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Synthesis and characterization of novel inorganic/organometallic compounds