jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: P. N. Navya | Sunil Mehla | Amrin Begum | Harit Chaturvedi | Ruchika Ojha | Christian G. Hartinger | Magdalena Plebanski | Suresh K. Bhargava
Source: Advanced Healthcare Materials (review, 2023-07-01)
Field: Materials Science — Materials Chemistry

Smart Nanozymes for Cancer Therapy: The Next Frontier in Oncology Nanomaterials that mimic the catalytic activity of natural enzymes in the complex biological environment of the human body are called nanozymes. Recently, nanozyme systems have been reported with diagnostic, imaging, and/or therapeutic capabilities. Smart nanozymes strategically exploit the tumor microenvironment (TME) by the in situ generation of reactive species or by the modulation of the TME itself to result in effective cancer therapy. This topical review focuses on such smart nanozymes for cancer diagnosis, and therapy modalities with enhanced therapeutic effects. The dominant factors that guide the rational design and synthesis of nanozymes for cancer therapy include an understanding of the dynamic TME, structure-activity relationships, surface chemistry for imparting selectivity, and site-specific therapy, and stimulus-responsive modulation of nanozyme activity. This article presents a comprehensive analysis of the subject including the diverse catalytic mechanisms of different types of nanozyme systems, an overview of the TME, cancer diagnosis, and synergistic cancer therapies. The strategic application of nanozymes in cancer treatment can well be a game changer in future oncology. Moreover, recent developments may pave the way for the deployment of nanozyme therapy into other complex healthcare challenges, such as genetic diseases, immune disorders, and ageing. Cancer therapy ; Tumor microenvironment ; Modalities ; Rational design ; Cancer ; Nanotechnology ; Medicine ; Internal medicine ; Materials science Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Nisufyan Nimaming | Amin Sadeghpour | Brent S. Murray | Anwesha Sarkar
Source: Trends in Food Science & Technology (article, 2023-07-03)
Field: Materials Science — Materials Chemistry

Hybrid particles for stabilization of food-grade Pickering emulsions: Fabrication principles and interfacial properties Colloidal particles have garnered considerable research attention in recent times for fabrication of Pickering emulsions because of their distinctive ultra-stabilization properties in comparison to conventional emulsion stabilizers. Significant progress has been made in designing novel hybrid particles, i.e., a combination of two or more materials comprising the particles, for tailoring emulsion stability as well as other functionalities that are not achievable with single particle-laden interfaces. We aim to provide a critical survey of the latest advances in food-grade hybrid particles that have been used to prepare Pickering emulsions in this review with an emphasis on the engineering of hybrid particles through various physical and chemical synthesis routes. In particular, we have examined the hybrid protein-polysaccharide, protein-phenolic compound, polysaccharide-lipid particles that have surfaced in the last five years with respect to their ability to stabilize and provide additional functionalities to PEs. We discussed recent studies on interfacial characterization of hybrid particles using interfacial (tension, rheology, Langmuir Blodgett), adsorption (quartz crystal microbalance with dissipation monitoring), microscopy and X-ray scattering techniques. Synthesis of hybrid particles primarily depends on the properties of biopolymers: hybrid particles fabricated using water-insoluble biopolymers such as insoluble plant proteins exploit anti-solvent precipitation methods, whilst fabrication using water-soluble components usually involve covalent (alkaline treatment/oxidation/Maillard) or ionic interactions. Hybrid particles stabilize PEs via a combination of denser interfacial layer formation as well as bulk stabilization and offer benefits in protection/release of active lipidic ingredients versus single particle stabilizers. Pickering emulsion ; Materials science ; Chemical engineering ; Quartz crystal microbalance ; Particle (ecology) ; Nanotechnology ; Fabrication ; Hybrid material ; Emulsion ; Nanoparticle ; Adsorption ; Chemistry ; Organic chemistry Pickering emulsions and particle stabilization ; Proteins in Food Systems ; Surfactants and Colloidal Systems
Authors: Sue Sin Chong | Yi Sheng Ng | Hui‐Qiong Wang | Jin‐Cheng Zheng
Source: Frontiers of Physics (article, 2023-11-24)
Field: Materials Science — Materials Chemistry

Advances of machine learning in materials science: Ideas and techniques Abstract In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution, with large database and repositories appearing everywhere. Traditionally, materials science is a trial-and-error field, in both the computational and experimental departments. With the advent of machine learning-based techniques, there has been a paradigm shift: materials can now be screened quickly using ML models and even generated based on materials with similar properties; ML has also quietly infiltrated many sub-disciplinary under materials science. However, ML remains relatively new to the field and is expanding its wing quickly. There are a plethora of readily-available big data architectures and abundance of ML models and software; The call to integrate all these elements in a comprehensive research procedure is becoming an important direction of material science research. In this review, we attempt to provide an introduction and reference of ML to materials scientists, covering as much as possible the commonly used methods and applications, and discussing the future possibilities. Big data ; Field (mathematics) ; Computer science ; Data science ; Artificial intelligence ; Data mining Machine Learning in Materials Science ; Computational Drug Discovery Methods ; X-ray Diffraction in Crystallography
Authors: Sean D. Griesemer | Yi Xia | Chris Wolverton
Source: Nature Computational Science (review, 2023-11-09)
Field: Materials Science — Materials Chemistry

Accelerating the prediction of stable materials with machine learning Stability (learning theory) ; Computer science ; Throughput ; Machine learning ; Field (mathematics) ; Biochemical engineering ; Artificial intelligence ; Engineering ; Mathematics Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Nuclear Materials and Properties
Authors: G. R. Arpitha | H. Mohit | Madhu Puttegowda | Akarsh Verma
Source: Biomass Conversion and Biorefinery (article, 2023-02-03)
Field: Materials Science — Polymers and Plastics

Effect of sugarcane bagasse and alumina reinforcements on physical, mechanical, and thermal characteristics of epoxy composites using artificial neural networks and response surface methodology Bagasse ; Epoxy ; Materials science ; Composite material ; Response surface methodology ; Composite number ; Central composite design ; Scanning electron microscope ; Mathematics ; Pulp and paper industry Natural Fiber Reinforced Composites ; Tribology and Wear Analysis ; Mechanical Behavior of Composites
Authors: Azzah M. Bannunah
Source: Molecules (review, 2023-07-15)
Field: Materials Science — Materials Chemistry

Biomedical Applications of Zirconia-Based Nanomaterials: Challenges and Future Perspectives ZrO<sub>2</sub> nanoparticles have received substantially increased attention in every field of life owing to their wide range of applications. Zirconium oxide is a commercially economical, non-hazardous, and sustainable metal oxide having diversified potential applications. ZrO<sub>2</sub> NPs play a vast role in the domain of medicine and pharmacy such as anticancer, antibacterial, and antioxidant agents and tissue engineering owing to their reliable curative biomedical applications. In this review article, we address all of the medical and biomedical applications of ZrO<sub>2</sub> NPs prepared through various approaches in a critical way. ZrO<sub>2</sub> is a bio-ceramic substance that has received increased attention in biomimetic scaffolds owing to its high mechanical strength, excellent biocompatibility, and high chemical stability. ZrO<sub>2</sub> NPs have demonstrated potential anticancer activity against various cancer cells. ZrO<sub>2</sub>-based nanomaterials have exhibited potential antibacterial activity against various bacterial strains and have also demonstrated excellent antioxidant activity. The ZrO<sub>2</sub> nanocomposite also exhibits highly sensitive biosensing activity toward the sensing of glucose and other biological species. Biocompatibility ; Nanotechnology ; Nanomaterials ; Materials science ; Nanocomposite ; Cubic zirconia ; Cancer therapy ; Nanoparticle ; Ceramic ; Cancer ; Medicine ; Metallurgy Advanced Nanomaterials in Catalysis ; Bone Tissue Engineering Materials ; Nanoplatforms for cancer theranostics
Authors: Bo Peng
Source: Nano Letters (article, 2023-01-11)
Field: Chemistry — Organic Chemistry

Stability and Strength of Monolayer Polymeric C<sub>60</sub> Two-dimensional fullerene networks have been synthesized in several forms, and it is unknown which monolayer form is stable under ambient conditions. Using first-principles calculations, I show that the believed stability of the quasi-tetragonal phases is challenged by mechanical, dynamic, or thermodynamic stability. For all temperatures, the quasi-hexagonal phase is thermodynamically the least stable. However, the relatively high dynamic and mechanical stabilities suggest that the quasi-hexagonal phase is intrinsically stronger than the other phases under various strains. The origin of the high stability and strength of the quasi-hexagonal phase can be attributed to the strong covalent C-C bonds that strongly hold the linked C<sub>60</sub> clusters together, enabling the closely packed hexagonal network. These results rationalize the experimental observations that so far only the quasi-hexagonal phase has been exfoliated experimentally as monolayers. Monolayer ; Tetragonal crystal system ; Hexagonal crystal system ; Phase (matter) ; Materials science ; Covalent bond ; Fullerene ; Hexagonal phase ; Chemical physics ; Close-packing of equal spheres ; Structural stability ; Stability (learning theory) ; Chemical stability ; Crystallography ; Nanotechnology ; Chemistry ; Organic chemistry Fullerene Chemistry and Applications ; Graphene research and applications ; Boron and Carbon Nanomaterials Research
Authors: Kui Lin | Zhan-Long Wang
Source: Communications Materials (article, 2023-08-30)
Field: Materials Science — Materials Chemistry

Multiscale mechanics and molecular dynamics simulations of the durability of fiber-reinforced polymer composites Abstract Fiber-reinforced polymer (FRP) composites have gained widespread applications in many engineering fields, making it imperative to study long-term performance under service conditions. Due to their heterogeneity and multifield coupling conditions, the long-term performance of FRP composites has become a complex scientific problem that involves multiscale and multidisciplinary aspects. With advancements in nanotechnology and computational power, researchers have increasingly conducted studies on the deterioration mechanisms and durability of FRP composites using top-down experiments and bottom-up multiscale simulations. Here, we review micro- and nano-mechanics in relation to the durability of FRP composites, including progress in the use of atomic and molecular simulations. We elucidate the role of multiscale methods, particularly molecular dynamics simulations, in the study of FRP composites and outline its prospects, to illustrate how micro- and nano-mechanics contribute to research on the durability of FRP composites. Durability ; Fibre-reinforced plastic ; Materials science ; Composite material ; Multidisciplinary approach ; Molecular dynamics ; Physics Carbon Nanotubes in Composites ; Composite Material Mechanics ; Polymer crystallization and properties
Authors: Karin Nienhaus | G. Ulrich Nienhaus
Source: Small (review, 2023-04-03)
Field: Materials Science — Biomaterials

Mechanistic Understanding of Protein Corona Formation around Nanoparticles: Old Puzzles and New Insights Although a wide variety of nanoparticles (NPs) have been engineered for use as disease markers or drug delivery agents, the number of nanomedicines in clinical use has hitherto remained small. A key obstacle in nanomedicine development is the lack of a deep mechanistic understanding of NP interactions in the bio-environment. Here, the focus is on the biomolecular adsorption layer (protein corona), which quickly enshrouds a pristine NP exposed to a biofluid and modifies the way the NP interacts with the bio-environment. After a brief introduction of NPs for nanomedicine, proteins, and their mutual interactions, research aimed at addressing fundamental properties of the protein corona, specifically its mono-/multilayer structure, reversibility and irreversibility, time dependence, as well as its role in NP agglomeration, is critically reviewed. It becomes quite evident that the knowledge of the protein corona is still fragmented, and conflicting results on fundamental issues call for further mechanistic studies. The article concludes with a discussion of future research directions that should be taken to advance the understanding of the protein corona around NPs. This knowledge will provide NP developers with the predictive power to account for these interactions in the design of efficacious nanomedicines. Nanomedicine ; Nanotechnology ; Corona (planetary geology) ; Drug delivery ; Nanoparticle ; Computer science ; Biochemical engineering ; Computational biology ; Materials science ; Chemistry ; Physics ; Biology ; Engineering Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Protein Interaction Studies and Fluorescence Analysis
Authors: Michele Cotrufo | Akshaj Arora | Sahitya Singh | Andrea Alù
Source: Nature Communications (article, 2023-11-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dispersion engineered metasurfaces for broadband, high-NA, high-efficiency, dual-polarization analog image processing Optical metasurfaces performing analog image processing - such as spatial differentiation and edge detection - hold the potential to reduce processing times and power consumption, while avoiding bulky 4 F lens systems. However, current designs have been suffering from trade-offs between spatial resolution, throughput, polarization asymmetry, operational bandwidth, and isotropy. Here, we show that dispersion engineering provides an elegant way to design metasurfaces where all these critical metrics are simultaneously optimized. We experimentally demonstrate silicon metasurfaces performing isotropic and dual-polarization edge detection, with numerical apertures above 0.35 and spectral bandwidths of 35 nm around 1500 nm. Moreover, we introduce quantitative metrics to assess the efficiency of these devices. Thanks to the low loss nature and dual-polarization response, our metasurfaces feature large throughput efficiencies, approaching the theoretical maximum for a given NA. Our results pave the way for low-loss, high-efficiency and broadband optical computing and image processing with free-space metasurfaces. Broadband ; Optics ; Bandwidth (computing) ; Isotropy ; Polarization (electrochemistry) ; Computer science ; Image processing ; Physics ; Optoelectronics ; Materials science ; Electronic engineering ; Telecommunications ; Artificial intelligence ; Image (mathematics) Metamaterials and Metasurfaces Applications ; Neural Networks and Reservoir Computing ; Plasmonic and Surface Plasmon Research
Authors: Xiaohua Xing | Linsheng Cai | Jiahe Ouyang | Fei Wang | Zongman Li | Mingxin Liu | Yingchao Wang | Yang Zhou | En Hu | Changli Huang | Liming Wu | Jingfeng Liu | Xiaolong Liu
Source: Nature Communications (article, 2023-12-18)
Field: Chemistry — Spectroscopy

Proteomics-driven noninvasive screening of circulating serum protein panels for the early diagnosis of hepatocellular carcinoma Early diagnosis of hepatocellular carcinoma (HCC) lacks highly sensitive and specific protein biomarkers. Here, we describe a staged mass spectrometry (MS)-based discovery-verification-validation proteomics workflow to explore serum proteomic biomarkers for HCC early diagnosis in 1002 individuals. Machine learning model determined as P4 panel (HABP2, CD163, AFP and PIVKA-II) clearly distinguish HCC from liver cirrhosis (LC, AUC 0.979, sensitivity 0.925, specificity 0.915) and healthy individuals (HC, AUC 0.992, sensitivity 0.975, specificity 1.000) in an independent validation cohort, outperforming existing clinical prediction strategies. Furthermore, the P4 panel can accurately predict LC to HCC conversion (AUC 0.890, sensitivity 0.909, specificity 0.877) with predicting HCC at a median of 11.4 months prior to imaging in prospective external validation cohorts (No.: Keshen 2018_005_02 and NCT03588442). These results suggest that proteomics-driven serum biomarker discovery provides a valuable reference for the liquid biopsy, and has great potential to improve early diagnosis of HCC. Hepatocellular carcinoma ; Proteomics ; Biomarker ; Medicine ; Biomarker discovery ; Cirrhosis ; Internal medicine ; Oncology ; Gastroenterology ; Biology Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Mass Spectrometry Techniques and Applications
Authors: Michael P.A. Davies | Takahiro Sato | Haitham Ashoor | Liping Hou | Triantafillos Liloglou | Robert Yang | John K. Field
Source: EBioMedicine (article, 2023-06-26)
Field: Chemistry — Spectroscopy

Plasma protein biomarkers for early prediction of lung cancer Janssen Pharmaceuticals Research Collaboration Award; Roy Castle Lung Cancer Foundation. Lung cancer ; Medicine ; Blood proteins ; Cancer ; Proteome ; Cancer biomarkers ; Internal medicine ; Oncology ; Biobank ; Biomarker ; Lung ; Bioinformatics ; Pathology ; Biology Advanced Proteomics Techniques and Applications ; Cancer Genomics and Diagnostics ; Lung Cancer Treatments and Mutations
Authors: Yi-Min Tu | Fu-Long Gong | Yan‐Chen Wu | Zhongzheng Cai | Jian‐Bo Zhu
Source: Nature Communications (article, 2023-06-02)
Field: Materials Science — Biomaterials

Insights into substitution strategy towards thermodynamic and property regulation of chemically recyclable polymers The development of chemically recyclable polymers serves as an attractive approach to address the global plastic pollution crisis. Monomer design principle is the key to achieving chemical recycling to monomer. Herein, we provide a systematic investigation to evaluate a range of substitution effects and structure-property relationships in the ɛ-caprolactone (CL) system. Thermodynamic and recyclability studies reveal that the substituent size and position could regulate their ceiling temperatures (T<sub>c</sub>). Impressively, M4 equipped with a tert-butyl group displays a T<sub>c</sub> of 241 °C. A series of spirocyclic acetal-functionalized CLs prepared by a facile two-step reaction undergo efficient ring-opening polymerization and subsequent depolymerization. The resulting polymers demonstrate various thermal properties and a transformation of the mechanical performance from brittleness to ductility. Notably, the toughness and ductility of P(M13) is comparable to the commodity plastic isotactic polypropylene. This comprehensive study is aimed to provide a guideline to the future monomer design towards chemically recyclable polymers. Materials science ; Polymer ; Substituent ; Monomer ; Toughness ; Polymerization ; Tacticity ; Chemical engineering ; Depolymerization ; Ductility (Earth science) ; Polymer chemistry ; Organic chemistry ; Composite material ; Chemistry ; Creep biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Polymer crystallization and properties
Authors: Sheikh Ahmad Izaddin Sheikh Mohd Ghazali | Is Fatimah | Zaireen Natasya Zamil | Nur Nadia Zulkifli | Nurain Adam
Source: Open Chemistry (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Graphene quantum dots: A comprehensive overview Abstract Because of their prospective applications and exceptional features, graphene quantum dots (GQDs) have gotten a lot of recognition as a new class of fluorescent carbon materials. One of the carbon family’s newest superstars is the GQD. Due to its exceptional optoelectrical qualities, it has sparked a lot of curiosity since its debut in 2008. Two of the most important traits are a band gap that is not zero, biocompatibility, and highly changeable characteristics. GQDs have several important characteristics. GQDs have shown potential in a variety of fields, for instance, catalysis, sensing, energy devices, drug delivery, bioimaging, photothermal, and photodynamic therapy. Because this area constantly evolves, it is vital to recognize emerging GQD concerns in the current breakthroughs, primarily since some specific uses and developments in the case of GQDs synthesis have not been thoroughly investigated through previous studies. The current results in the properties, synthesis, as well as benefits of GQDs are discussed in this review study. As per the findings of this research, the GQD’s future investigation is boundless, mainly if the approaching investigation focuses on purifying simplicity and environmentally friendly synthesis, as well as boosting photoluminescence quantum output and manufacturing output of GQDs. Quantum dot ; Nanotechnology ; Graphene ; Graphene quantum dot ; Photothermal therapy ; Variety (cybernetics) ; Computer science ; Materials science ; Artificial intelligence Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Graphene and Nanomaterials Applications
Authors: T. Sathish | Prashant Sunagar | Vikash Singh | Sampath Boopathi | Ravishankar sathyamurthy | Abdullah M. Al‐Enizi | Bidhan Pandit | Manish Gupta | Satbir S. Sehgal
Source: Chemosphere (article, 2023-06-26)
Field: Materials Science — Polymers and Plastics

Characteristics estimation of natural fibre reinforced plastic composites using deep multi-layer perceptron (MLP) technique Composite number ; Composite material ; Materials science ; Ultimate tensile strength ; Flexural strength ; Multilayer perceptron ; Reinforcement ; Perceptron ; Flexural modulus ; Computer science ; Artificial neural network ; Artificial intelligence Natural Fiber Reinforced Composites ; Tribology and Wear Analysis ; Mechanical Behavior of Composites