jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Pascal Friederich | Artem Fediai | Simon Kaiser | Manuel Konrad | Nicole Jung | Wolfgang Wenzel
Source: Advanced Materials (review, 2019-04-22)
Field: Materials Science — Materials Chemistry

Toward Design of Novel Materials for Organic Electronics Materials for organic electronics are presently used in prominent applications, such as displays in mobile devices, while being intensely researched for other purposes, such as organic photovoltaics, large-area devices, and thin-film transistors. Many of the challenges to improve and optimize these applications are material related and there is a nearly infinite chemical space that needs to be explored to identify the most suitable material candidates. Established experimental approaches struggle with the size and complexity of this chemical space. Herein, the development of simulation methods is addressed, with a particular emphasis on predictive multiscale protocols, to complement experimental research in the identification of novel materials and illustrate the potential of these methods with a few prominent recent applications. Finally, the potential of machine learning and methods based on artificial intelligence is discussed to further accelerate the search for new materials. Materials science ; Nanotechnology ; Organic electronics ; Electronics ; Organic solar cell ; Transistor ; Photovoltaics ; Identification (biology) ; Thin-film transistor ; Computer science ; Biochemical engineering ; Photovoltaic system ; Electrical engineering ; Polymer ; Engineering Machine Learning in Materials Science ; Conducting polymers and applications ; Organic Electronics and Photovoltaics
Authors: Wilson Castro | Jimy Oblitas | Miguel De‐la‐Torre | Carlos Cotrina | Karen Bazán | Himer Ávila-George
Source: IEEE Access (article, 2019-01-01)
Field: Chemistry — Analytical Chemistry

Classification of Cape Gooseberry Fruit According to its Level of Ripeness Using Machine Learning Techniques and Different Color Spaces The classification of fresh fruits according to their visual ripeness is typically a subjective and tedious task; consequently, there is a growing interest in the use of non-contact techniques to automate this process. Machine learning techniques, such as artificial neural networks, support vector machines (SVMs), decision trees, and K-nearest neighbor algorithms, have been successfully applied for classification problems in the literature, particularly for images of fruit. However, the particularities of each classification problem make it difficult, if not impossible, to select a general technique that is applicable to all types of fruit. In this paper, the combinations of four machine learning techniques and three color spaces ( <italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">RGB</i> , <italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">HSV</i> , and <italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">L*a*b*</i> ) were evaluated with regard to their ability to classify Cape gooseberry fruits. To this end, 925 Cape gooseberry fruit samples were collected, and each fruit was manually classified into one of seven different classes according to its level of ripeness. The color values of each fruit image in the three color spaces and their corresponding ripening stages were organized for training and validation following a fivefold cross-validation strategy in an iterative process repeated 100 times. According to the results, the classification of Cape gooseberry fruits by their ripeness level was sensitive to both the color space and the classification technique used. The models based on the <italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">L*a*b*</i> color space and the SVM classifier showed the highest f-measure regardless of the color space, and the principal component analysis combination of color spaces improved the performance of the models at the expense of increased complexity. Ripeness ; Artificial intelligence ; Support vector machine ; Machine learning ; Computer science ; RGB color model ; Artificial neural network ; Ripening ; Mathematics ; Horticulture ; Biology Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Leaf Properties and Growth Measurement
Authors: Kunhao Yu | An Xin | Haixu Du | Ying Li | Qiming Wang
Source: NPG Asia Materials (article, 2019-02-01)
Field: Materials Science — Polymers and Plastics

Additive manufacturing of self-healing elastomers Abstract Nature excels in both self-healing and 3D shaping; for example, self-healable human organs feature functional geometries and microstructures. However, tailoring man-made self-healing materials into complex structures faces substantial challenges. Here, we report a paradigm of photopolymerization-based additive manufacturing of self-healable elastomer structures with free-form architectures. The paradigm relies on a molecularly designed photoelastomer ink with both thiol and disulfide groups, where the former facilitates a thiol-ene photopolymerization during the additive manufacturing process and the latter enables a disulfide metathesis reaction during the self-healing process. We find that the competition between the thiol and disulfide groups governs the photocuring rate and self-healing efficiency of the photoelastomer. The self-healing behavior of the photoelastomer is understood with a theoretical model that agrees well with the experimental results. With projection microstereolithography systems, we demonstrate rapid additive manufacturing of single- and multimaterial self-healable structures for 3D soft actuators, multiphase composites, and architected electronics. Compatible with various photopolymerization-based additive manufacturing systems, the photoelastomer is expected to open promising avenues for fabricating structures where free-form architectures and efficient self-healing are both desirable. Photopolymer ; Materials science ; Self-healing ; Elastomer ; Nanotechnology ; Smart material ; Polymerization ; Composite material ; Polymer Polymer composites and self-healing ; Advanced Sensor and Energy Harvesting Materials ; Advanced Materials and Mechanics
Authors: Guillermo González‐Rubio | Vished Kumar | Pablo Burriel Llombart | Pablo Díaz‐Núñez | Eva Bladt | Thomas Altantzis | Sara Bals | O. Peña | Eva G. Noya | Luis G. MacDowell | Andrés Guerrero‐Martínez | Luis M. Liz‐Marzán
Source: ACS Nano (article, 2019-04-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Disconnecting Symmetry Breaking from Seeded Growth for the Reproducible Synthesis of High Quality Gold Nanorods One of the major difficulties hindering the widespread application of colloidal anisotropic plasmonic nanoparticles is the limited robustness and reproducibility of multistep synthetic methods. We demonstrate herein that the reproducibility and reliability of colloidal gold nanorod (AuNR) synthesis can be greatly improved by disconnecting the symmetry-breaking event from the seeded growth process. We have used a modified silver-assisted seeded growth method in the presence of the surfactant hexadecyltrimethylammonium bromide and n-decanol as a co-surfactant to prepare small AuNRs in high yield, which were then used as seeds for the growth of high quality AuNR colloids. Whereas the use of n-decanol provides a more-rigid micellar system, the growth on anisotropic seeds avoids sources of irreproducibility during the symmetry breaking step, yielding uniform AuNR colloids with narrow plasmon bands, ranging from 600 to 1270 nm, and allowing the fine-tuning of the final dimensions. This method provides a robust route for the preparation of high quality AuNR colloids with tunable morphology, size, and optical response in a reproducible and scalable manner. Nanorod ; Materials science ; Colloid ; Nanotechnology ; Seeding ; Pulmonary surfactant ; Plasmon ; Colloidal gold ; Symmetry breaking ; Nanoparticle ; Chemical engineering ; Optoelectronics Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Nanoparticles: synthesis and applications
Authors: Jimna Mohamed Ameer | Anil Kumar PR | Naresh Kasoju
Source: Journal of Functional Biomaterials (review, 2019-07-09)
Field: Materials Science — Biomaterials

Strategies to Tune Electrospun Scaffold Porosity for Effective Cell Response in Tissue Engineering Tissue engineering aims to develop artificial human tissues by culturing cells on a scaffold in the presence of biochemical cues. Properties of scaffold such as architecture and composition highly influence the overall cell response. Electrospinning has emerged as one of the most affordable, versatile, and successful approaches to develop nonwoven nano/microscale fibrous scaffolds whose structural features resemble that of the native extracellular matrix. However, dense packing of the fibers leads to small-sized pores which obstruct cell infiltration and therefore is a major limitation for their use in tissue engineering applications. To this end, a variety of approaches have been investigated to enhance the pore properties of the electrospun scaffolds. In this review, we collect state-of-the-art modification methods and summarize them into six classes as follows: approaches focused on optimization of packing density by (a) conventional setup, (b) sequential or co-electrospinning setups, (c) involving sacrificial elements, (d) using special collectors, (e) post-production processing, and (f) other specialized methods. Overall, this review covers historical as well as latest methodologies in the field and therefore acts as a quick reference for those interested in electrospinning matrices for tissue engineering and beyond. Electrospinning ; Microscale chemistry ; Scaffold ; Materials science ; Tissue engineering ; Nanofiber ; Nanotechnology ; Porosity ; Extracellular matrix ; Biomedical engineering ; Polymer ; Composite material ; Engineering ; Chemistry Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Advanced Sensor and Energy Harvesting Materials
Authors: Yi Zhang | A. Mesaros | K. Fujita | S. D. Edkins | M. H. Hamidian | K. Ch’ng | H. Eisaki | S. Uchida | J. C. Séamus Davis | Ehsan Khatami | Eun-Ah Kim
Source: Nature (article, 2019-06-01)
Field: Materials Science — Materials Chemistry

Machine learning in electronic-quantum-matter imaging experiments Artificial neural network ; Suite ; Visualization ; Process (computing) ; Data acquisition ; State (computer science) ; Data visualization ; Instrumentation (computer programming) Machine Learning in Materials Science ; Advanced Electron Microscopy Techniques and Applications ; Quantum many-body systems
Authors: Run Han | Hui Xiong | Zhuyifan Ye | Yilong Yang | Tianhe Huang | Qiufang Jing | Jiahong Lu | Hao Pan | Fuzheng Ren | Defang Ouyang
Source: Journal of Controlled Release (article, 2019-08-26)
Field: Chemistry — Spectroscopy

Predicting physical stability of solid dispersions by machine learning techniques Stability (learning theory) ; Dispersion (optics) ; Random forest ; Computer science ; Molecular descriptor ; Dispersion stability ; Machine learning ; Artificial intelligence ; Biological system ; Materials science ; Nanotechnology ; Physics ; Quantitative structure–activity relationship ; Nanoparticle Analytical Chemistry and Chromatography ; Drug Solubulity and Delivery Systems ; Analytical Methods in Pharmaceuticals
Authors: Georg Kustatscher | Piotr Grabowski | Tina A. Schrader | Josiah B. Passmore | Michael Schrader | Juri Rappsilber
Source: Nature Biotechnology (article, 2019-11-01)
Field: Chemistry — Spectroscopy

Co-regulation map of the human proteome enables identification of protein functions Proteome ; Proteomics ; Human proteome project ; Computational biology ; Biology ; Organelle ; Stable isotope labeling by amino acids in cell culture ; Peroxisome ; Mitochondrion ; Quantitative proteomics ; Cell biology ; Biochemistry ; Gene Advanced Proteomics Techniques and Applications ; Peroxisome Proliferator-Activated Receptors ; Metabolomics and Mass Spectrometry Studies
Authors: Zhuo Zhang | Xiaoming Duan | Baofu Qiu | Zhihua Yang | Delong Cai | Peigang He | Dechang Jia | Yu Zhou
Source: Journal of Advanced Ceramics (review, 2019-08-02)
Field: Materials Science — Materials Chemistry

Preparation and anisotropic properties of textured structural ceramics: A review Ceramics are usually composed of randomly oriented grains and intergranular phases, so their properties are the statistical average along each direction and show isotropy corresponding to the uniform microstructures. Some methods have been developed to achieve directional grain arrangement and preferred orientation growth during ceramic preparation, and then textured ceramics with anisotropic properties are obtained. Texture microstructures give particular properties to ceramics along specific directions, which can effectively expand their application fields. In this review, typical texturing techniques suitable for ceramic materials, such as hot working, magnetic alignment, and templated grain growth (TGG), are discussed. Several typical textured structural ceramics including α-Al2O3 and related nacre bioinspired ceramics, Si3N4 and SiAlON, h-BN, MB2 matrix ultra-high temperature ceramics, MAX phases and their anisotropic properties are presented. Materials science ; Ceramic ; Microstructure ; Anisotropy ; Isotropy ; Sialon ; Texture (cosmology) ; Structural material ; Composite material ; Intergranular corrosion ; Grain growth ; Ceramic matrix composite ; Optics ; Computer science MXene and MAX Phase Materials ; Advanced ceramic materials synthesis ; Bone Tissue Engineering Materials
Authors: Chang‐Ping Feng | Li‐Bo Chen | Guo-Liang Tian | Shen-Shen Wan | Lu Bai | Rui‐Ying Bao | Zheng‐Ying Liu | Mingbo Yang | Wei Yang
Source: ACS Applied Materials & Interfaces (article, 2019-04-26)
Field: Materials Science — Materials Chemistry

Multifunctional Thermal Management Materials with Excellent Heat Dissipation and Generation Capability for Future Electronics Thermal management materials (TMMs) used in electronic devices are crucial for future electronics and technologies such as flexible electronics and artificial intelligence (AI) technologies. As future electronics will work in a more complicated circumstance, the overheating and overcooling problems can exist in the same electronics while the common TMMs cannot meet the demand of thermal management for future electronics. In this work, nacre-mimetic graphene-based films with super flexibility and durability (in over 10,000 tensile cycles), excellent capability to dissipate excess heat (20.84 W/(m·K) at only 16-22 μm thickness), and outstanding heating performance to generate urgent heat for electronics under extremely cold conditions are fabricated by a facile solution casting method, and the fabricated composites are proved to be superior multifunctional TMMs for the thermal management in electronic chips. In addition, the application of the paper-like films with high in-plane thermal conductivity to a flexible heat spreader and film heater is demonstrated by simulation using a finite volume method, which shows the high importance of the in-plane thermal conductivity in thermal management of electronics. Thermal management of electronic devices and systems ; Materials science ; Electronics ; Dissipation ; Thermal ; Engineering physics ; Nanotechnology ; Mechanical engineering ; Thermodynamics ; Electrical engineering ; Engineering Thermal properties of materials ; Thermal Radiation and Cooling Technologies ; Advanced Thermoelectric Materials and Devices
Authors: Kai Lang | Sebastian Torker | Łukasz Wojtas | X. Peter Zhang
Source: Journal of the American Chemical Society (article, 2019-07-08)
Field: Chemistry — Organic Chemistry

Asymmetric Induction and Enantiodivergence in Catalytic Radical C–H Amination via Enantiodifferentiative H-Atom Abstraction and Stereoretentive Radical Substitution Control of enantioselectivity remains a major challenge in radical chemistry. The emergence of metalloradical catalysis (MRC) offers a conceptually new strategy for addressing this and other outstanding issues. Through the employment of <i>D</i><sub>2</sub>-symmetric chiral amidoporphyrins as the supporting ligands, Co(II)-based MRC has enabled the development of new catalytic systems for asymmetric radical transformations with a unique profile of reactivity and selectivity. With the support of new-generation HuPhyrin chiral ligands whose cavity environment can be fine-tuned, the Co-centered d-radicals enable to address challenging issues that require exquisite control of fundamental radical processes. As showcased with asymmetric 1,5-C-H amination of sulfamoyl azides, the enantiocontrol of which has proven difficult, the judicious use of HuPhyrin ligand by tuning the bridge length and other remote nonchiral elements allows for controlling both the degree and sense of asymmetric induction in a systematic manner. This effort leads to successful development of new Co(II)-based catalytic systems that are highly effective for enantiodivergent radical 1,5-C-H amination, producing both enantiomers of the strained five-membered cyclic sulfamides with excellent enantioselectivities. Detailed deuterium-labeling studies, together with DFT computation, have revealed an unprecedented mode of asymmetric induction that consists of enantiodifferentiative H-atom abstraction and stereoretentive radical substitution. Chemistry ; Amination ; Radical ; Enantioselective synthesis ; Asymmetric induction ; Catalysis ; Ligand (biochemistry) ; Radical cyclization ; Combinatorial chemistry ; Hydrogen atom abstraction ; Enantiomer ; Reactivity (psychology) ; Stereochemistry ; Organic chemistry Synthesis and Catalytic Reactions ; Catalytic C–H Functionalization Methods ; Radical Photochemical Reactions
Authors: Asmaa Elrasheedy | Norhan Nady | M. Bassyouni | Ahmed El-Shazly
Source: Membranes (review, 2019-07-19)
Field: Chemistry — Inorganic Chemistry

Metal Organic Framework Based Polymer Mixed Matrix Membranes: Review on Applications in Water Purification Polymeric membranes have been widely employed for water purification applications. However, the trade-off issue between the selectivity and permeability has limited its use in various applications. Mixed matrix membranes (MMMs) were introduced to overcome this limitation and to enhance the properties and performance of polymeric membranes by incorporation of fillers such as silica and zeolites. Metal-organic frameworks (MOFs) are a new class of hybrid inorganic-organic materials that are introduced as novel fillers for incorporation in polymeric matrix to form composite membranes for different applications especially water desalination. A major advantage of MOFs over other inorganic fillers is the possibility of preparing different structures with different pore sizes and functionalities, which are designed especially for a targeted application. Different MMMs fabrication techniques have also been investigated to fabricate MMMs with pronounced properties for a specific application. Synthesis techniques include blending, layer-by-layer (LBL), gelatin-assisted seed growth and in situ growth that proved to give the most homogenous dispersion of MOFs within the organic matrix. It was found that the ideal filler loading of MOFs in different polymeric matrices is 10%, increasing the filler loading beyond this value led to formation of aggregates that significantly decreased the MOFs-MMMs performance. Despite the many merits of MOFs-MMMs, the main challenge facing the upscaling and wide commercial application of MOFs-MMMs is the difficult synthesis conditions of the MOFs itself and the stability and sustainability of MOFs-MMMs performance. Investigation of new MOFs and MOFs-MMMs synthesis techniques should be carried out for further industrial applications. Among these new synthesis methods, green MOFs synthesis has been highlighted as low cost, renewable, environmentally friendly and recyclable starting materials for MOFs-MMMs. This paper will focus on the investigation of the effect of different recently introduced MOFs on the performance of MOFs-MMMs in water purification applications. Membrane ; Materials science ; Metal-organic framework ; Polymer ; Nanotechnology ; Chemical engineering ; Dispersion (optics) ; Adsorption ; Organic chemistry ; Chemistry ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Membrane Separation Technologies
Authors: Qingyan Jia | Ziyu Zhao | Ke Liang | Fuchun Nan | Ye Li | Jian Wang | Jiechao Ge | Pengfei Wang
Source: Materials Chemistry Frontiers (article, 2019-12-16)
Field: Materials Science — Materials Chemistry

Recent advances and prospects of carbon dots in cancer nanotheranostics This review summarizes and discusses the recent advances and future prospects of carbon dots as nanotheranostic agents for anticancer applications. Nanotechnology ; Carbon fibers ; Materials science Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Ashanul Haque | Linli Xu | Rayya A. Al-Balushi | Mohammed K. Al‐Suti | Rashid Ilmi | Zeling Guo | Muhammad S. Khan | Wai‐Yeung Wong | Paul R. Raithby
Source: Chemical Society Reviews (review, 2019-01-01)
Field: Chemistry — Organic Chemistry

Cyclometallated tridentate platinum(<scp>ii</scp>) arylacetylide complexes: old wine in new bottles Square planar platinum(ii) complexes have been known for 150 years and pincer complexes, supported by a tridentate chelating ligand such as terpyridyl, have been known for more than 70 years. The development of cyclometallated platinum(ii) pincer complexes, in which the tridentate ligand forms one or more platinum-carbon bonds, has been much more recent. Particularly, in terms of their solution and solid-state luminescence these cyclometallated complexes show substantial advantages over their terpyridyl analogues. This tutorial review introduces the reader to the area of platinum(ii) cyclometallated pincer chemistry and shows the advantage of having an alkynyl group in the fourth coordination site on the metal. The basic design principles for the preparation of highly luminescent platinum(ii) cyclometallated pincer complexes are outlined and the strategy to improve the luminescence further by chemical manipulation of the pincer ligand and of the auxiliary ligand in the fourth coordination site are illustrated with recent examples from the literature. Recent applications of these cyclometallated pincer complexes in the area of opto-electronics is described, with emphasis on their use in OLEDs, OFETs and as NLO materials as well as demonstrating their potential use as triplet photosensitizers and as metal ion sensors. The aim of this review is to show the recent advances in this rapidly developing research field and to highlight the future promise of these materials. Pincer movement ; Platinum ; Pincer ligand ; Chemistry ; Luminescence ; Ligand (biochemistry) ; Combinatorial chemistry ; Nanotechnology ; Photochemistry ; Organic chemistry ; Materials science ; Catalysis Organometallic Complex Synthesis and Catalysis ; Organic Light-Emitting Diodes Research ; Metal complexes synthesis and properties