jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Gang Lü | Cien Chen | Zhaoyue Wang | Xuelian Wu | Xin Huang | Jingdong Luo | Xun‐Li Wang | Ming‐Liang He | Xi Yao
Source: ACS Applied Materials & Interfaces (article, 2023-09-07)
Field: Chemistry — Organic Chemistry

High-Performance Supramolecular Organogel Adhesives for Antimicrobial Applications in Diverse Conditions Supramolecular organogel coatings that can disinfect the deposited microbial pathogens are emerging as an effective vehicle to prevent pathogen transmission. However, the development of anti-pathogen supramolecular adhesives with mechanical robustness and controlled oil inclusion is technically challenging. Here, we report supramolecular adhesives with mechanical integrity and robust interfacial adhesion over a wide range of biogenic antimicrobial oil. Bifunctional monomers are synthesized and assembled into linear polymers with semicrystalline stackings through hierarchical hydrogen bonds, where incorporated bioactive oil could regulate the semicrystalline stackings into nanosized crystalline domains through intermolecular hydrogen bonds. The abundant bonding motifs provided by the supramolecular cross-linked networks could accommodate oil molecules with high inclusion capability and provide more interfacial binding sites with high adhesion strength, and the nanosized crystalline domains could stabilize the organogel network and compensate for the interactions with oil molecules to enhance structural and mechanical stability. In addition, rapid healing, robust adhesion, and antimicrobial and antiviral properties of the resultant organogel coatings are demonstrated. This study paves the way for the development of high-performance antimicrobial supramolecular adhesives with controlled oil inclusion, showing potential applications in soft robotics, tissue engineering, and biomedical devices. Materials science ; Supramolecular chemistry ; Adhesive ; Hydrogen bond ; Nanotechnology ; Intermolecular force ; Polymer ; Supramolecular polymers ; Monomer ; Crystallinity ; Adhesion ; Molecule ; Chemical engineering ; Composite material ; Organic chemistry ; Chemistry Polydiacetylene-based materials and applications ; Supramolecular Self-Assembly in Materials ; Polymer composites and self-healing
Authors: Zhijie Wang | Hao‐Fei Ni | Tie Zhang | Jie Li | Meng‐Meng Lun | Da‐Wei Fu | Zhi‐Xu Zhang | Yi Zhang
Source: Chemical Science (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering As an innovative form of stimulus-response materials, organic-inorganic hybrid phase transition materials have become a wonderful contender in the field of functional electronic equipment due to their versatile structure, intensive functions and straightforward preparation. However, the targeted regulation and optimization of the electrical/optical response, along with the establishment of regular structure-performance relationships, pose significant challenges in meeting the diverse demands of practical applications over an extended period. Herein, we conducted a systematic investigation into the role of lattice void occupancy in regulating phase transition temperature (<i>T</i><sub>p</sub>) and related optical/electrical bistability. By taking hybrid material [TMEA][Cd(SCN)<sub>3</sub>] featuring a flexible ammonium cation [TMEA]<sup>+</sup> (TMEA = ethyltrimethylammonium) as the prototype, we successfully synthesized three phase transition materials, namely [DEDMA][Cd(SCN)<sub>3</sub>], [TEMA][Cd(SCN)<sub>3</sub>] and [TEA][Cd(SCN)<sub>3</sub>] (DEDMA = diethyldimethylammonium, TEMA = triethylmethylammonium, and TEA = tetraethylammonium), and the excellent regulation of the physical properties of these compounds was achieved through subtle engineering of void occupancy. More strikingly, [TEA][Cd(SCN)<sub>3</sub>] exhibits remarkable bistable properties in terms of dielectric and nonlinear optical responses (with second-harmonic generation intensity reaching 2.5 times that of KDP). This work provides a feasible avenue to reasonably customise organic-inorganic hybrid phase transition materials and finely adjust their intriguing functionalities. Occupancy ; Void (composites) ; Phase transition ; Nanotechnology ; Engineering ; Materials science ; Physics ; Civil engineering ; Composite material ; Thermodynamics Magnesium Oxide Properties and Applications ; Ferroelectric and Piezoelectric Materials ; Advanced ceramic materials synthesis
Authors: Nicholas David | Wenhao Sun | Connor W. Coley
Source: Nature Computational Science (article, 2023-05-18)
Field: Materials Science — Materials Chemistry

The promise and pitfalls of AI for molecular and materials synthesis Leverage (statistics) ; Computer science ; Data science ; Realization (probability) ; Artificial intelligence ; Mathematics Machine Learning in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation ; Catalysis and Oxidation Reactions
Authors: Rahul Patil | Saikat Dutta
Source: Advanced Materials Interfaces (article, 2023-01-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Intercalation Engineering of 2D Materials at Macroscale for Smart Human–Machine Interface and Double‐Layer to Faradaic Charge Storage for Ions Separation Abstract 2D materials have attracted considerable attention in the past decade for their superlative physical properties. Lightweight foam from 2D materials can reduce the use of raw materials, save energy in processing the material and downregulate the carbon emission. Self‐assembling of graphene nanosheets results in 3D porous lightweight foam resembling hydrogels, aerogels, and xerogels. Hierarchical graphene architecture provides an uninterrupted path to electrons and phonon transport conforms to eligibility for developing sensor, energy storage, and energy conversion devices. Artificial intelligence (AI) originates from human–machine interaction and physiological signal reception which requires a large sensing range that illustrates to healthcare surveillance with wearable devices. Spongy architectures with flexibility and reversible compressibility act as a good candidate for pressure sensing for a wide range of real‐time human health monitoring systems by using artificial intelligence. In this review, the new perspective of emerging 2D materials (such as MXene, and borophene) along with the investigation of the graphene foam structure is demonstrated. Electrosorption of salt‐ions under foam electrode are reviewed in the context of electrochemical stability recycling ability, and efficiency of adsorption‐desorption. Beyond these, remaining challenges are depicted for emerging 2D‐materials of interest for health monitoring sensors and flexible supercapacitors for promising research directions. Materials science ; Graphene ; Nanotechnology ; Supercapacitor ; Energy storage ; Context (archaeology) ; Electrode ; Electrochemistry ; Power (physics) Supercapacitor Materials and Fabrication ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: Santanu Saha | Simone Di Cataldo | Federico Giannessi | Alessio Cucciari | Wolfgang von der Linden | Lilia Boeri
Source: Physical Review Materials (article, 2023-05-31)
Field: Materials Science — Materials Chemistry

Mapping superconductivity in high-pressure hydrides: The Superhydra project The discovery of high-${T}_{c}$ conventional superconductivity in high-pressure hydrides has helped establish computational methods as a formidable tool to guide material discoveries in a field traditionally dominated by serendipitous experimental search. This paves the way to an ever-increasing use of data-driven approaches to the study and design of superconductors. In this work, we propose a new adaptive method to generate meaningful datasets of superconductors, based on element substitution into a small set of representative structural templates, generated by crystal structure prediction methods---adapted high-throughput approach. Our approach realizes an optimal compromise between structural variety and computational efficiency and can be easily generalized to other elements and compositions. As a first application, we apply it to binary hydrides at high pressure, realizing a database of 880 hypothetical structures, characterized with a set of electronic, vibrational, and chemical descriptors. In our Superhydra Database, 139 structures are superconducting according to the McMillan-Allen-Dynes approximation. Studying the distribution of ${T}_{c}$ and other properties across the database with advanced statistical and visualization techniques, we are able to obtain comprehensive material maps of the phase space of binary hydrides. The Superhydra database can be thought as a first step of a generalized effort to map conventional superconductivity. Superconductivity ; Binary number ; Set (abstract data type) ; Field (mathematics) ; Materials science ; Computer science ; Crystal structure prediction ; Data mining ; Database ; Computational science ; Physics ; Molecule ; Quantum mechanics ; Mathematics Machine Learning in Materials Science ; Advanced Chemical Physics Studies ; High-pressure geophysics and materials
Authors: Teruyo Ieda | Shunji Hashimoto
Source: TrAC Trends in Analytical Chemistry (article, 2023-06-01)
Field: Chemistry — Spectroscopy

GC × GC and computational strategies for detecting and analyzing environmental contaminants Workflow ; Contamination ; Computer science ; Biota ; Gas chromatography–mass spectrometry ; Gas chromatography ; Biochemical engineering ; Mass spectrometry ; Environmental chemistry ; Chemistry ; Chromatography ; Engineering ; Ecology ; Biology ; Database Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies ; Mass Spectrometry Techniques and Applications
Authors: Sonal Santosh Bagade | Shashidhar Patel | M.M. Malik | Piyush K. Patel
Source: C – Journal of Carbon Research (article, 2023-07-19)
Field: Materials Science — Materials Chemistry

Recent Advancements in Applications of Graphene to Attain Next-Level Solar Cells This paper presents an intensive review covering all the versatile applications of graphene and its derivatives in solar photovoltaic technology. To understand the internal working mechanism for the attainment of highly efficient graphene-based solar cells, graphene’s parameters of control, namely its number of layers and doping concentration are thoroughly discussed. The popular graphene synthesis techniques are studied. A detailed review of various possible applications of utilizing graphene’s attractive properties in solar cell technology is conducted. This paper clearly mentions its applications as an efficient transparent conducting electrode, photoactive layer and Schottky junction formation. The paper also covers advancements in the 10 different types of solar cell technologies caused by the incorporation of graphene and its derivatives in solar cell architecture. Graphene-based solar cells are observed to outperform those solar cells with the same configuration but lacking the presence of graphene in them. Various roles that graphene efficiently performs in the individual type of solar cell technology are also explored. Moreover, bi-layer (and sometimes, tri-layer) graphene is shown to have the potential to fairly uplift the solar cell performance appreciably as well as impart maximum stability to solar cells as compared to multi-layered graphene. The current challenges concerning graphene-based solar cells along with the various strategies adopted to resolve the issues are also mentioned. Hence, graphene and its derivatives are demonstrated to provide a viable path towards light-weight, flexible, cost-friendly, eco-friendly, stable and highly efficient solar cell technology. Graphene ; Photovoltaic system ; Materials science ; Solar cell ; Nanotechnology ; Hybrid solar cell ; Schottky barrier ; Photoactive layer ; Optoelectronics ; Polymer solar cell ; Electrical engineering ; Engineering Graphene research and applications ; Advancements in Battery Materials ; Supercapacitor Materials and Fabrication
Authors: Tenglong Lu | Yanan Wang | Guanghui Cai | Huaxian Jia | Xinxin Liu | Cui Zhang | Sheng Meng | Miao Liu
Source: Materials Futures (article, 2023-02-22)
Field: Materials Science — Materials Chemistry

Synthesizability of transition-metal dichalcogenides: a systematic first-principles evaluation Abstract Transition metal dichalcogenides (TMDs) are a class of materials with various useful properties, and it is worthwhile to have a thorough evaluation of the characteristics of the TMDs, most importantly, their structural stability and exfoliability, in a systematic fashion. Here, by employing high-throughput first-principles calculations, we investigate the vast phase space of TMDs, including 16 bulk phases and 6 monolayer phases for all possible TMD combinations [comprising (3d, 4d, 5d) transition-metal cations and (S, Se, Te) anions], totaling 1386 compounds. Through the ‘bird-view’ of the as-large-as-possible configurational and chemical space of TMDs, our work presents comprehensive energy landscapes to elucidate the thermodynamic stability as well as the exfoliability of TMDs, which are of vital importance for future synthesis and exploration towards large-scale industrial applications. Transition metal ; Chemical space ; Monolayer ; Materials science ; Chemical stability ; Nanotechnology ; Chemistry ; Catalysis ; Organic chemistry ; Drug discovery 2D Materials and Applications ; Machine Learning in Materials Science ; Perovskite Materials and Applications
Authors: Lin Zhang | Li Peng | Yuanchao Lu | Xin Ming | Yuxin Sun | Xiaoyi Xu | Yuxing Xia | Kai Pang | Wenzhang Fang | Ning Huang | Zhen Xu | Yibin Ying | Yingjun Liu | Yingchun Fu | Chao Gao
Source: Nature Communications (article, 2023-08-18)
Field: Materials Science — Materials Chemistry

Sub-second ultrafast yet programmable wet-chemical synthesis Wet-chemical synthesis via heating bulk solution is powerful to obtain nanomaterials. However, it still suffers from limited reaction rate, controllability, and massive consumption of energy/reactants, particularly for the synthesis on specific substrates. Herein, we present an innovative wet-interfacial Joule heating (WIJH) approach to synthesize various nanomaterials in a sub-second ultrafast, programmable, and energy/reactant-saving manner. In the WIJH, Joule heat generated by the graphene film (GF) is confined at the substrate-solution interface. Accompanied by instantaneous evaporation of the solvent, the temperature is steeply improved and the precursors are concentrated, thereby synergistically accelerating and controlling the nucleation and growth of nanomaterials on the substrate. WIJH leads to a record high crystallization rate of HKUST-1 (~1.97 μm s<sup>-1</sup>), an ultralow energy cost (9.55 × 10<sup>-6</sup> kWh cm<sup>-2</sup>) and low precursor concentrations, which are up to 5 orders of magnitude faster, -6 and -2 orders of magnitude lower than traditional methods, respectively. Moreover, WIJH could handily customize the products' amount, size, and morphology via programming the electrified procedures. The as-prepared HKUST-1/GF enables the Joule-heating-controllable and low-energy-required capture and liberation towards CO<sub>2</sub>. This study opens up a new methodology towards the superefficient synthesis of nanomaterials and solvent-involved Joule heating. Nanomaterials ; Joule heating ; Joule (programming language) ; Materials science ; Nanotechnology ; Substrate (aquarium) ; Chemical engineering ; Nucleation ; Chemical process ; Solvent ; Chemistry ; Energy (signal processing) ; Organic chemistry ; Physics Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Graphene research and applications
Authors: Junsheng Chen | Ajeet Kumar | Cecilia Cerretani | Tom Vosch | Donatas Zigmantas | Erling Thyrhaug
Source: The Journal of Physical Chemistry Letters (article, 2023-04-25)
Field: Materials Science — Materials Chemistry

Excited-State Dynamics in a DNA-Stabilized Ag<sub>16</sub> Cluster with Near-Infrared Emission Due to desirable optical properties, such as efficient luminescence and large Stokes shift, DNA-templated silver nanoclusters (DNA-AgNCs) have received significant attention over the past decade. Nevertheless, the excited-state dynamics of these systems are poorly understood, as studies of the processes ultimately leading to a fluorescent state are scarce. Here we investigate the early time relaxation dynamics of a 16-atom silver cluster (DNA-Ag<sub>16</sub>NC) featuring NIR emission in combination with an unusually large Stokes shift of over 5000 cm<sup>-1</sup>. We follow the photoinduced dynamics of DNA-Ag<sub>16</sub>NC on time ranges from tens of femtoseconds to nanoseconds using a combination of ultrafast optical spectroscopies, and extract a kinetic model to clarify the physical picture of the photoinduced dynamics. We expect the obtained model to contribute to guiding research efforts toward elucidating the electronic structure and dynamics of these novel objects and their potential applications in fluorescence-based labeling, imaging, and sensing. Excited state ; Cluster (spacecraft) ; Infrared ; Dynamics (music) ; Atomic physics ; State (computer science) ; Chemical physics ; Materials science ; Physics ; Chemistry ; Optics ; Computer science Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Katerina Kitsios | Shahriar Sharifi | Morteza Mahmoudi
Source: ACS Pharmacology & Translational Science (review, 2023-04-21)
Field: Materials Science — Biomaterials

Nanomedicine Technologies for Diagnosis and Treatment of Breast Cancer Breast cancer is one of the most common cancers in women worldwide, yet conventional treatments have several shortcomings, including low specificity, systemic toxicity, and drug resistance. Nanomedicine technologies provide a promising alternative while also overcoming the limitations posed by conventional therapies. This mini-Review highlights important signaling pathways related to occurrence and development of breast cancer and current breast cancer therapies, followed by an analysis of various nanomedicine technologies developed for diagnosis and treatment of breast cancers. Nanomedicine ; Breast cancer ; Medicine ; Cancer ; Oncology ; Internal medicine ; Nanotechnology Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; RNA Interference and Gene Delivery
Authors: Maxim Varenik | Boyuan Xu | Junying Li | Elad Gaver | Ellen Wachtel | David Ehre | Prahlad K. Routh | Sergey Khodorov | Anatoly I. Frenkel | Yue Qi | Igor Lubomirsky
Source: Nature Communications (article, 2023-11-15)
Field: Materials Science — Materials Chemistry

Lead-free Zr-doped ceria ceramics with low permittivity displaying giant electrostriction Electrostrictors, materials developing mechanical strain proportional to the square of the applied electric field, present many advantages for mechanical actuation as they convert electrical energy into mechanical, but not vice versa. Both high relative permittivity and reliance on Pb as the key component in commercial electrostrictors pose serious practical and health problems. Here we describe a low relative permittivity (<250) ceramic, Zr<sub>x</sub>Ce<sub>1-x</sub>O<sub>2</sub> (x < 0.2), that displays electromechanical properties rivaling those of the best performing electrostrictors: longitudinal electrostriction strain coefficient ~10<sup>-16</sup> m<sup>2</sup>/V<sup>2</sup>; relaxation frequency ≈ a few kHz; and strain ≥0.02%. Combining X-ray absorption spectroscopy, atomic-level modeling and electromechanical measurements, here we show that electrostriction in Zr<sub>x</sub>Ce<sub>1-x</sub>O<sub>2</sub> is enabled by elastic dipoles produced by anharmonic motion of the smaller isovalent dopant (Zr). Unlike the elastic dipoles in aliovalent doped ceria, which are present even in the absence of an applied elastic or electric field, the elastic dipoles in Zr<sub>x</sub>Ce<sub>1-x</sub>O<sub>2</sub> are formed only under applied anisotropic field. The local descriptors of electrostrictive strain, namely, the cation size mismatch and dynamic anharmonicity, are sufficiently versatile to guide future searches in other polycrystalline solids. Permittivity ; Electrostriction ; Relative permittivity ; Ceramic ; Materials science ; Vacuum permittivity ; Electric field ; Doping ; Composite material ; Mechanical energy ; Condensed matter physics ; Dielectric ; Optoelectronics ; Physics ; Thermodynamics ; Piezoelectricity Ferroelectric and Piezoelectric Materials ; Dielectric properties of ceramics ; Advanced Battery Materials and Technologies
Authors: Zhonghao Sun | Binmao Zhang | Hangjia Tu | Chuye Pan | Yujuan Chai | Wenwen Chen
Source: Nanoscale (article, 2023-12-20)
Field: Materials Science — Materials Chemistry

Advances in colorimetric biosensors of exosomes: novel approaches based on natural enzymes and nanozymes Exosomes are 30-150 nm vesicles derived from diverse cell types, serving as one of the most important biomarkers for early diagnosis and prognosis of diseases. However, the conventional detection method for exosomes faces significant challenges, such as unsatisfactory sensitivity, complicated operation, and the requirement of complicated devices. In recent years, colorimetric exosome biosensors with a visual readout underwent rapid development due to the advances in natural enzyme-based assays and the integration of various types of nanozymes. These synthetic nanomaterials show unique physiochemical properties and catalytic abilities, enabling the construction of exosome colorimetric biosensors with novel principles. This review will illustrate the reaction mechanisms and properties of natural enzymes and nanozymes, followed by a detailed introduction of the recent advances in both types of enzyme-based colorimetric biosensors. A comparison between natural enzymes and nanozymes is made to provide insights into the research that improves the sensitivity and convenience of assays. Finally, the advantages, challenges, and future directions of enzymes as well as exosome colorimetric biosensors are highlighted, aiming at improving the overall performance from different approaches. Biosensor ; Nanotechnology ; Microvesicles ; Exosome ; Biochemical engineering ; Computer science ; Chemistry ; Computational biology ; Materials science ; Biology ; Biochemistry ; microRNA ; Engineering ; Gene Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications