jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Dan Meng | Chen Li | Changlong Hao | Wenxiong Shi | Jun Xu | Maozhong Sun | Hua Kuang | Chuanlai Xu | Liguang Xu
Source: Angewandte Chemie International Edition (article, 2023-09-07)
Field: Materials Science — Materials Chemistry

Interfacial Self‐assembly of Chiral Selenide Nanomembrane for Enantiospecific Recognition Here, we report the synthesis of chiral selenium nanoparticles (NPs) using cysteine and the interfacial assembly strategy to generate a self-assembled nanomembrane on a large-scale with controllable morphology and handedness. The selenide (Se) NPs exhibited circular dichroism (CD) bands in the ultraviolet and visible region with a maximum intensity of 39.96 mdeg at 388 nm and optical anisotropy factors (g-factors) of up to 0.0013 while a self-assembled monolayer nanomembrane exhibited symmetrical CD approaching 72.8 mdeg at 391 nm and g-factors up to 0.0034. Analysis showed that a photocurrent of 20.97±1.55 nA was generated by the D-nanomembrane when irradiated under light while the L-nanomembrane generated a photocurrent of 20.58±1.36 nA. Owing to the asymmetric intensity of the photocurrent with respect to the handedness of the nanomembrane, an ultrasensitive recognition of enantioselective kynurenine (Kyn) was achieved by the ten-layer (10L) D-nanomembrane exhibiting a photocurrent for L-kynurenine (L-Kyn) that was 8.64-fold lower than that of D-Kyn, with a limit of detection (LOD) of 0.0074 nM for the L-Kyn, which was attributed to stronger affinity between L-Kyn and D-Se NPs. Noticeably, the chiral Se nanomembrane precisely distinguished L-Kyn in serum and cerebrospinal fluid samples from Alzheimer's disease patients and healthy subjects. Selenide ; Nanotechnology ; Materials science ; Self-assembly ; Chemical engineering ; Engineering Nanocluster Synthesis and Applications ; Carbon and Quantum Dots Applications ; Luminescence and Fluorescent Materials
Authors: Zhuyang Chen | Dongdong Lu | Jinwei Cao | Fu Zhao | Guang Feng | Chen Xu | Yonghong Deng | X.‐D. Xiang
Source: Materials Genome Engineering Advances (article, 2023-09-01)
Field: Materials Science — Materials Chemistry

Development of high‐throughput wet‐chemical synthesis techniques for material research Abstract Combining material big data with artificial intelligence constitutes the fourth paradigm of material research. However, the sluggish development of high‐throughput (HT) experimentation has resulted in a lack of experimentally verified and validated material data, which has become the bottleneck of data‐driven material research. Wet‐chemical synthesis has the benefits of low equipment cost and scalability, but traditional wet‐chemical techniques are time‐consuming and ineffective at disclosing the interrelationships between synthesis, compositions, structures, and performance. Constructing a HT workflow in wet‐chemical synthesis is crucial to achieving the preparation of multidimensional materials and establishing the composition–structure–synthesis–performance relationships of functional materials for diverse applications. In this review, the most recent development in HT wet‐chemical synthesis techniques for material research are analyzed in depth. Additionally, the application of HT wet‐chemical synthesis in the fabrication of advanced hydrogels and catalysts is demonstrated through illustrative instances. Finally, this review suggests possible paths for enhancing the efficiency of HT experimentation and data acquisition in order to facilitate more effective material discovery. Workflow ; Scalability ; Bottleneck ; Computer science ; Throughput ; Nanotechnology ; Biochemical engineering ; Process engineering ; Materials science ; Engineering ; Database ; Embedded system ; Telecommunications Machine Learning in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation ; Catalysis and Oxidation Reactions
Authors: Panangattukara Prabhakaran Praveen Kumar | Shimayali Kaushal | Dong‐Kwon Lim
Source: TrAC Trends in Analytical Chemistry (article, 2023-09-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent advances in nano/microfabricated substrate platforms and artificial intelligence for practical surface-enhanced Raman scattering-based bioanalysis Bioanalysis ; Nanotechnology ; Raman scattering ; Plasmon ; Materials science ; Raman spectroscopy ; Computer science ; Nano- ; Physics ; Optoelectronics ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Advanced biosensing and bioanalysis techniques
Authors: Yuxin Luo | Zhishuai Geng | Wenchao Zhang | Jiyu He | Rongjie Yang
Source: Polymers (review, 2023-09-08)
Field: Materials Science — Polymers and Plastics

Strategy for Constructing Phosphorus-Based Flame-Retarded Polyurethane Elastomers for Advanced Performance in Long-Term Polyurethane elastomer (PUE), which is widely used in coatings for construction, transportation, electronics, aerospace, and other fields, has excellent physical properties. However, polyurethane elastomers are flammable, which limits their daily use, so the flame retardancy of polyurethane elastomers is very important. Reactive flame retardants have the advantages of little influence on the physical properties of polymers and low tendency to migrate out. Due to the remarkable needs of non-halogenated flame retardants, phosphorus flame retardant has gradually stood out as the main alternative. In this review, we focus on the fire safety of PUE and provide a detailed overview of the current molecular design and mechanisms of reactive phosphorus-containing, as well as P-N synergistic, flame retardants in PUE. From the structural characteristics, several basic aspects of PUE are overviewed, including thermal performance, combustion performance, and mechanical properties. In addition, the perspectives on the future advancement of phosphorus-containing flame-retarded polyurethane elastomers (PUE) are also discussed. Based on the past research, this study provides prospects for the application of flame-retarded PUE in the fields of self-healing materials, bio-based materials, wearable electronic devices, and solid-state electrolytes. Elastomer ; Polyurethane ; Fire retardant ; Materials science ; Combustion ; Phosphorus ; Composite material ; Organic chemistry ; Chemistry ; Metallurgy Flame retardant materials and properties ; Polymer composites and self-healing ; Synthesis and properties of polymers
Authors: Yeqing Jin | Xiangdong Wang | Mingjia Yao | Di Qiu | David J. Singh | Jinyang Xi | Jiong Yang | Lili Xi
Source: npj Computational Materials (article, 2023-10-14)
Field: Materials Science — Materials Chemistry

High-throughput deformation potential and electrical transport calculations Abstract The deformation potential plays an important role in electrical transport properties, but in the context of high-throughput searches requires a consistent and readily computable reference level. Here, we design a high-throughput method for calculating the deformation potential for semiconductors in the MatHub-3d database. The deformation potential is obtained from the volume-dependent band edge (valence band maximum and conduction band minimum) variations with respect to the reference level. In order to adapt the calculation of reference level to a high-throughput manner, the average value of the first valence electron energy band associated with each compound is used as the reference level. Deformation potentials for 11,993 materials are calculated using the above-mentioned method. By considering the calculated deformation potentials, electronic structures, and bulk moduli, 9957 compounds with converged electrical transport properties are obtained. 332 promising p-type thermoelectric materials, and 321 n-type entries are then proposed. Among them, 156 compounds are screened to having both potentially good n- and p-type thermoelectric transport properties. The band structures and chemical bonding information for several typical compounds are further presented to reveal favorable band and bonding features for thermoelectrics. Materials science ; Deformation (meteorology) ; Seebeck coefficient ; Thermoelectric materials ; Semiconductor ; Throughput ; Electronic band structure ; Valence (chemistry) ; Thermoelectric effect ; Condensed matter physics ; Computer science ; Optoelectronics ; Chemistry ; Thermodynamics ; Composite material ; Physics Advanced Thermoelectric Materials and Devices ; Machine Learning in Materials Science ; Thermal properties of materials
Authors: Ekrem Durmaz | Selva Sertkaya | Hande Nur Yılmaz | Çağrı Olgun | Orhan Ozcelik | Ayhan Tozluoğlu | Zeki Candan
Source: Micromachines (review, 2023-07-19)
Field: Materials Science — Biomaterials

Lignocellulosic Bionanomaterials for Biosensor Applications The rapid population growth, increasing global energy demand, climate change, and excessive use of fossil fuels have adversely affected environmental management and sustainability. Furthermore, the requirements for a safer ecology and environment have necessitated the use of renewable materials, thereby solving the problem of sustainability of resources. In this perspective, lignocellulosic biomass is an attractive natural resource because of its abundance, renewability, recyclability, and low cost. The ever-increasing developments in nanotechnology have opened up new vistas in sensor fabrication such as biosensor design for electronics, communication, automobile, optical products, packaging, textile, biomedical, and tissue engineering. Due to their outstanding properties such as biodegradability, biocompatibility, non-toxicity, improved electrical and thermal conductivity, high physical and mechanical properties, high surface area and catalytic activity, lignocellulosic bionanomaterials including nanocellulose and nanolignin emerge as very promising raw materials to be used in the development of high-impact biosensors. In this article, the use of lignocellulosic bionanomaterials in biosensor applications is reviewed and major challenges and opportunities are identified. Lignocellulosic biomass ; Nanocellulose ; Nanotechnology ; Biochemical engineering ; Biosensor ; Environmental science ; Biomass (ecology) ; Renewable energy ; Materials science ; Cellulose ; Biofuel ; Chemistry ; Engineering ; Ecology ; Waste management Advanced Cellulose Research Studies ; Advanced Sensor and Energy Harvesting Materials
Authors: Jonathan Zaslavsky | Pauric Bannigan | Christine Allen
Source: Expert Opinion on Drug Delivery (article, 2023-01-16)
Field: Materials Science — Materials Chemistry

Re-envisioning the design of nanomedicines: harnessing automation and artificial intelligence The development of integrated workflows based on automated experimentation and AI/ML may accelerate nanomedicine development. A crucial step in achieving this is the generation of high-quality, accessible datasets. Future efforts to make full use of these tools can ultimately contribute to the development of more innovative nanomedicines and improved clinical translation of formulations that rely on advanced drug delivery systems. Nanomedicine ; Automation ; Workflow ; Computer science ; Drug development ; Quality by Design ; Risk analysis (engineering) ; Systems engineering ; Nanotechnology ; Engineering ; Drug ; Medicine ; Pharmacology ; Operations management ; Materials science Machine Learning in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation ; 3D Printing in Biomedical Research
Authors: Misael Bessa Sales | José Gadelha Lima Neto | Ana Kátia de Sousa Braz | Paulo Gonçalves de Sousa | Rafael Leandro Fernandes Melo | Roberta Bussons Rodrigues Valério | Juliana de França Serpa | Ana Michele da Silva Lima | Rita Karolinny Chaves de Lima | Artemis Pessoa Guimarães | Maria Cristiane Martins de Souza | Ada Amélia Sanders Lopes | Maria Alexsandra de Sousa Rios | Leonardo F. Serafim | José Cleiton Sousa dos Santos
Source: Electrochem (article, 2023-04-07)
Field: Materials Science — Materials Chemistry

Trends and Opportunities in Enzyme Biosensors Coupled to Metal-Organic Frameworks (MOFs): An Advanced Bibliometric Analysis The unique properties of metal-organic frameworks (MOFs) such as their large surface area and high porosity have attracted considerable attention in recent decades. The MOFs are a promising class of materials for developing highly efficient biosensors due to these same properties. This bibliometric analysis focused on the use of MOFs as enzyme-coupled materials in biosensor construction and aimed to provide a comprehensive overview of the research field by analyzing a collected database. The analysis included identifying the countries that have published the most, the most prominent applications, and trends for future directions in the field. The study used three databases with different numbers of documents, differentiated by research areas, with refinements made to the search as needed. The results suggest that MOF-derived biosensors are a growing field, with the Republic of China emerging as a significant contributor to research in this area. The study also used computational processing of trend analysis and geocoding to reveal these findings. Nanotechnology ; Biosensor ; Metal-organic framework ; Computer science ; Field (mathematics) ; Data science ; Materials science ; Chemistry Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Advanced biosensing and bioanalysis techniques
Authors: Georgios Varvoutis | Maria Lykaki | George E. Marnellos | Michalis Konsolakis
Source: Catalysts (article, 2023-01-26)
Field: Materials Science — Materials Chemistry

Recent Advances on Fine-Tuning Engineering Strategies of CeO2-Based Nanostructured Catalysts Exemplified by CO2 Hydrogenation Processes Ceria-based oxides have been extensively involved in a wide range of catalytic applications due to their intriguing properties, related mostly to their superior redox features in conjunction with peculiar metal-support interaction phenomena. Most importantly, the fine-tuning of key interrelated factors, such as the size, morphology and electronic state of the catalyst’s counterparts, can exert a profound influence on the intrinsic characteristics and interfacial reactivity with pronounced implications in catalysis. The present review, while also elaborating our recent efforts in the field, aims to provide key fundamental and practical aspects in relation to the rational design and functionalization strategies of ceria-based catalysts, exemplified by the CO2 hydrogenation processes, namely, CO2 methanation and reverse water–gas shift (rWGS) reactions. Firstly, a description of the most prominent catalytically relevant features of cerium oxide is provided, focusing on reducibility and metal-support interaction phenomena, followed by a brief overview of the current status of ceria-based catalysts for various energy and environmental applications. Then, the main implications of fine-tuning engineering via either appropriate synthesis routes or aliovalent doping on key activity descriptors are thoroughly discussed and exemplified by state-of-the-art ceria-based catalysts for CO2 hydrogenation. It is clearly revealed that highly active and cost-efficient ceria-based catalytic materials can be obtained on the grounds of the proposed functionalization strategy, with comparable or even superior reactivity to that of noble metal catalysts for both the studied reactions. In a nutshell, it can be postulated that the dedicated fabrication of CeO2-based systems with augmented redox capabilities and, thus, oxygen vacancies abundance can greatly enhance the activation of gas-phase CO2 towards CO or CH4. Besides, the morphology-engineering of CeO2-based catalysts can notably affect the CO2 hydrogenation performance, by means of an optimum metal-ceria interphase based on the exposed facets, whereas doping and promotion strategies can effectively shift the reaction pathway towards the selective production of either CO or CH4. The conclusions derived from the present work can provide design and fine-tuning principles for cost-efficient, highly active and earth-abundant metal oxide systems, not only for the CO2 hydrogenation process but for various other energy and environmental applications. Catalysis ; Nanotechnology ; Materials science ; Reactivity (psychology) ; Methanation ; Oxide ; Chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Catalysts for Methane Reforming
Authors: Yin Xu | Jérémy Dhainaut | Jean‐Philippe Dacquin | Jean‐François Lamonier | Hui Zhang | Sébastien Royer
Source: Applied Catalysis B: Environmental (article, 2023-10-17)
Field: Materials Science — Materials Chemistry

On the role of cationic defects over the surface reactivity of manganite-based perovskites for low temperature catalytic oxidation of formaldehyde Perovskite (structure) ; Lanthanum manganite ; Catalysis ; Cationic polymerization ; Reactivity (psychology) ; Formaldehyde ; Materials science ; Lanthanum ; Density functional theory ; Manganite ; Chemical engineering ; Inorganic chemistry ; Nanotechnology ; Chemistry ; Physical chemistry ; Computational chemistry ; Crystallography ; Organic chemistry ; Polymer chemistry Catalytic Processes in Materials Science ; Electronic and Structural Properties of Oxides ; Advanced Photocatalysis Techniques
Authors: Igor S. Mashkovsky | П. В. Марков | А. В. Рассолов | E. D. Patil | A. Yu. Stakheev
Source: Russian Chemical Reviews (article, 2023-08-01)
Field: Materials Science — Materials Chemistry

Progress in single-atom methodology in modern catalysis The review addresses the development of the methodology of single-atom catalysts ranging from single-site to single-atom alloy systems. The preparation and characterization of single-atom catalysts and their use in a number of key catalytic reactions, including alkyne hydrogenation, are considered. The possibility of fine tuning of the surface structure of single-atom alloy catalytic systems using the adsorbate-induced segregation is analyzed for the first time.&lt;br&gt; The bibliography includes 312 references. Chemistry ; Atom (system on chip) ; Catalysis ; Computational chemistry ; Organic chemistry ; Parallel computing Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Catalysis and Hydrodesulfurization Studies
Authors: Britta Weidinger | Guohui Yang | Nadine von Coelln | Hermann Nirschl | Irene Wacker | Petra Tegeder | Rasmus R. Schröder | Eva Blasco
Source: Advanced Science (article, 2023-08-02)
Field: Chemistry — Organic Chemistry

3D Printing Hierarchically Nano‐Ordered Structures Natural materials are composed of a limited number of molecular building blocks and their exceptional properties are governed by their hierarchical structure. However, this level of precision is unattainable with current state-of-the-art materials for 3D printing. Herein, new self-assembled printable materials based on block copolymers (BCPs) enabling precise control of the nanostructure in 3D are presented. In particular, well-defined BCPs consisting of poly(styrene) (PS) and a polymethacrylate-based copolymer decorated with printable units are selected as suitable self-assembled materials and synthesized using controlled radical polymerization. The synthesized library of BCPs are utilized as printable formulations for the fabrication of complex 3D microstructures using two-photon laser printing. By fine-tuning the BCP composition and solvent in the formulations, the fabrication of precise 3D nano-ordered structures is demonstrated for the first time. A key point of this work is the achievement of controlled nano-order within the entire 3D structures. Thus, imaging of the cross-sections of the 3D printed samples is performed, enabling the visualization also from the inside. The presented versatile approach is expected to create new avenues for the precise design of functional polymer materials suitable for high-resolution 3D printing exhibiting tailor-made nanostructures. 3D printing ; Materials science ; Fabrication ; Copolymer ; Nanotechnology ; Nanostructure ; Nano- ; Polymer ; Inkwell ; Composite material Advanced Polymer Synthesis and Characterization ; Nonlinear Optical Materials Studies ; Nanoparticle-Based Drug Delivery
Authors: Ludovic Bretin | Yurii Husiev | Vadde Ramu | Liyan Zhang | Matthijs L. A. Hakkennes | Selda Abyar | Andrew C. Johns | Sylvia E. Le Dévédec | Tania Betancourt | Alexander Kornienko | Sylvestre Bonnet
Source: Angewandte Chemie International Edition (article, 2023-12-08)
Field: Materials Science — Materials Chemistry

Red‐Light Activation of a Microtubule Polymerization Inhibitor via Amide Functionalization of the Ruthenium Photocage Photoactivated chemotherapy (PACT) is a promising cancer treatment modality that kills cancer cells via photochemical uncaging of a cytotoxic drug. Most ruthenium-based photocages used for PACT are activated with blue or green light, which penetrates sub-optimally into tumor tissues. Here, we report amide functionalization as a tool to fine-tune the toxicity and excited states of a terpyridine-based ruthenium photocage. Due to conjugation of the amide group with the terpyridine π system in the excited state, the absorption of red light (630 nm) increased 8-fold, and the photosubstitution rate rose 5-fold. In vitro, red light activation triggered inhibition of tubulin polymerization, which led to apoptotic cell death both in normoxic (21 % O<sub>2</sub> ) and hypoxic (1 % O<sub>2</sub> ) cancer cells. In vivo, red light irradiation of tumor-bearing mice demonstrated significant tumor volume reduction (45 %) with improved biosafety, thereby demonstrating the clinical potential of this compound. Ruthenium ; Chemistry ; Amide ; Photochemistry ; Polymerization ; Surface modification ; Biophysics ; Combinatorial chemistry ; Biochemistry ; Organic chemistry ; Catalysis ; Polymer ; Biology Photochromic and Fluorescence Chemistry ; Click Chemistry and Applications ; Nanoplatforms for cancer theranostics
Authors: Hao Wang | Chaobo Dong | Yaliang Gui | Jiachi Ye | Salem Altaleb | Martin Thomaschewski | Behrouz Movahhed Nouri | Chandraman Patil | Hamed Dalir | Volker J. Sorger
Source: Nanomaterials (article, 2023-06-29)
Field: Materials Science — Materials Chemistry

Self-Powered Sb2Te3/MoS2 Heterojunction Broadband Photodetector on Flexible Substrate from Visible to Near Infrared Van der Waals (vdWs) heterostructures, assembled by stacking of two-dimensional (2D) crystal layers, have emerged as a promising new material system for high-performance optoelectronic applications, such as thin film transistors, photodetectors, and light-emitters. In this study, we showcase an innovative device that leverages strain-tuning capabilities, utilizing a MoS<sub>2</sub>/Sb<sub>2</sub>Te<sub>3</sub> vdWs p-n heterojunction architecture designed explicitly for photodetection across the visible to near-infrared spectrum. These heterojunction devices provide ultra-low dark currents as small as 4.3 pA, a robust photoresponsivity of 0.12 A W<sup>-1</sup>, and reasonable response times characterized by rising and falling durations of 0.197 s and 0.138 s, respectively. These novel devices exhibit remarkable tunability under the application of compressive strain up to 0.3%. The introduction of strain at the heterojunction interface influences the bandgap of the materials, resulting in a significant alteration of the heterojunction's band structure. This subsequently shifts the detector's optical absorption properties. The proposed strategy of strain-induced engineering of the stacked 2D crystal materials allows the tuning of the electronic and optical properties of the device. Such a technique enables fine-tuning of the optoelectronic performance of vdWs devices, paving the way for tunable high-performance, low-power consumption applications. This development also holds significant potential for applications in wearable sensor technology and flexible electro-optic circuits. Heterojunction ; Materials science ; Optoelectronics ; Photodetector ; Photodetection ; Stacking ; Substrate (aquarium) ; Infrared ; Band gap ; Strain engineering ; Optics ; Silicon ; Physics 2D Materials and Applications ; MXene and MAX Phase Materials ; Topological Materials and Phenomena