jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Adhithya Aravindan | Ashutosh Gupta | Sudheer Moorkoth | Namdev Dhas
Source: Journal of Drug Delivery Science and Technology (article, 2024-08-05)
Field: Materials Science — Biomaterials

Implications of nanotherapeutic advancements to leverage multi-drug resistant breast cancer: The state-of-the-art review Globally, cancer is regarded as a severe health issue. Among these is breast cancer (BC), the second most common kind in women after skin cancer. According to statistical data from the NIH Cancer Institute, the expected number of cases was around 3 lakh people, with a 7.1 % fatality rate. The rise of multidrug resistance (MDR) in British Columbia is a severe issue as it lowers the effectiveness of existing treatments. Traditional MDR treatment approaches in BC have a number of drawbacks, including toxicity, high cost, early discharge, restricted drug load before target, and poor effectiveness. Preventing MDR BC has depended heavily on developing innovative therapy delivery methods utilizing nanomedicine and new approaches to diagnosing and treating BC. This review discusses MDR in BC and its pathophysiology in relation to tumor kinetics. It focuses on the latest therapeutic approaches over the traditional methods like Surgery, Chemotherapy, Nanomedicine, Phototherapy, Immunotherapy, and Gene therapy. It also describes diagnostic techniques using MRI/PET, Mammography, Microwave Sensing, In-silico methods, Molecular diagnostic techniques, and AI-machine learning-based tools. It also discussed the limitations of nanoparticles in diagnosing and treating BC. This review article aims to identify new and efficient ways to diagnose and treat MDR BC and prevent tumor recurrence. Medicine ; Breast cancer ; Nanomedicine ; Cancer ; Intensive care medicine ; Oncology ; Medical physics ; Internal medicine ; Nanotechnology Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Advanced biosensing and bioanalysis techniques
Authors: Jiaqi Du | Luo Wan-chun | Jintao Zhang | Qinying Li | Li-Na Bao | Ming Jiang | Xu Yu | Xu Li
Source: Sensors and Actuators B Chemical (article, 2024-06-21)
Field: Chemistry — Spectroscopy

Machine learning-assisted fluorescence/fluorescence colorimetric sensor array for discriminating amyloid fibrils Fluorescence ; Amyloid (mycology) ; Amyloid fibril ; Chemistry ; Biophysics ; Amyloid β ; Optics ; Biology ; Pathology ; Medicine ; Physics Molecular Sensors and Ion Detection ; Advanced Nanomaterials in Catalysis ; Alzheimer's disease research and treatments
Authors: A. S. Fouda | Safaa Eldin H. Etaiw | Dina M. Abd El‐Aziz | Ahmed El-Hossiany | Usama A. Elbaz
Source: BMC Chemistry (article, 2024-01-28)
Field: Materials Science — Materials Chemistry

Experimental and theoretical studies of the efficiency of metal–organic frameworks (MOFs) in preventing aluminum corrosion in hydrochloric acid solution Aluminum corrosion inhibitors "{[CuI (CN)<sub>2</sub>(phen) CuII (CN)<sub>2</sub>(phen)]5H<sub>2</sub>O},(MOF1) and {[CuI(CN)<sub>2</sub>(phen)CuII(CN)<sub>2</sub>(phen)]5H<sub>2</sub>O}@TiO<sub>2</sub> (MOF1@TiO<sub>2</sub>) were studied in one molar HCl solution". The ML results for three different temperatures (25-45 °C) were compared with the results of PDP and EIS analyses. The adsorption of inhibitors on Al surfaces has been calculated and discussed by a Langmuir isotherm. The inhibitors that were created showed great effectiveness, with a noticeable increase in their inhibitory efficiency as the dosage was raised and the temperature was lowered. Inhibition efficiency each amounted to 88.6%, 84.5% at 400 ppm and 25 °C for MOF1@TiO<sub>2</sub> and MOF1, respectively. Analyzing the polarization curves of synthesized inhibitors revealed that they were mixed-type inhibitors. Al was found to be surface inhibited when coated with a thin film of inhibitors, and "Al's surface morphology was assessed by different techniques such as scanning electron microscopy (SEM), energy dispersive X-ray (EDX) and atomic force microscope (AFM)". "Theoretical models like quantum chemical and molecular dynamics simulation authenticated the experimental observation". The MOFs exhibit exceptional corrosion resistance against Al when exposed to acidic environments, according to several tests. Hydrochloric acid ; Corrosion ; Adsorption ; Scanning electron microscope ; Aluminium ; Metal ; Chemistry ; Langmuir adsorption model ; Polarization (electrochemistry) ; Nuclear chemistry ; Quantum chemical ; Inorganic chemistry ; Materials science ; Molecule ; Analytical Chemistry (journal) ; Physical chemistry ; Organic chemistry ; Composite material Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Magnesium Oxide Properties and Applications
Authors: Pingping Wei | Sai Chen | Ran Luo | Guodong Sun | Kexin Wu | Donglong Fu | Zhi‐Jian Zhao | Chunlei Pei | Ning Yan | Jinlong Gong
Source: Nature Communications (article, 2024-09-17)
Field: Materials Science — Materials Chemistry

Stable and homogeneous intermetallic alloys by atomic gas-migration for propane dehydrogenation Intermetallic nanoparticles (NPs) possess significant potentials for catalytic applications, yet their production presents challenges as achieving the disorder-to-order transition during the atom ordering process involves overcoming a kinetic energy barrier. Here, we demonstrate a robust approach utilizing atomic gas-migration for the in-situ synthesis of stable and homogeneous intermetallic alloys for propane dehydrogenation (PDH). This approach relies on the physical mixture of two separately supported metal species in one reactor. The synthesized platinum-zinc intermetallic catalysts demonstrate exceptional stability for 1300 h in continuous propane dehydrogenation under industrially relevant industrial conditions, with extending 95% propylene selectivity and propane conversions approaching thermodynamic equilibrium values at 550-600 <sup>o</sup>C. In situ characterizations and density functional theory/molecular dynamics simulation reveal Zn atoms adsorb on the particle surface and then diffuse inward, aiding in the formation of ultrasmall and highly ordered intermetallic alloys. This in-situ gas-migration strategy is applicable to a wide range of intermetallic systems. Intermetallic ; Dehydrogenation ; Propane ; Homogeneous ; Materials science ; Chemistry ; Metallurgy ; Thermodynamics ; Catalysis ; Physics ; Alloy ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Nuclear Materials and Properties
Authors: Yangdong Xie | Jie Xu | D. B. Shao | Yuxin Liu | Xianlin Qu | Songtao Hu | Biao Dong
Source: Molecules (review, 2024-12-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

SERS-Based Local Field Enhancement in Biosensing Applications Surface-enhanced Raman scattering (SERS) stands out as a highly effective molecular identification technique, renowned for its exceptional sensitivity, specificity, and non-destructive nature. It has become a main technology in various sectors, including biological detection and imaging, environmental monitoring, and food safety. With the development of material science and the expansion of application fields, SERS substrate materials have also undergone significant changes: from precious metals to semiconductors, from single crystals to composite particles, from rigid to flexible substrates, and from two-dimensional to three-dimensional structures. This report delves into the advancements of the three latest types of SERS substrates: colloidal, chip-based, and tip-enhanced Raman spectroscopy. It explores the design principles, distinctive functionalities, and factors that influence SERS signal enhancement within various SERS-active nanomaterials. Furthermore, it provides an outlook on the future challenges and trends in the field. The insights presented are expected to aid researchers in the development and fabrication of SERS substrates that are not only more efficient but also more cost-effective. This progress is crucial for the multifunctionalization of SERS substrates and for their successful implementation in real-world applications. Nanotechnology ; Raman scattering ; Substrate (aquarium) ; Materials science ; Nanomaterials ; Biosensor ; Surface-enhanced Raman spectroscopy ; Raman spectroscopy ; Optics ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Biosensors and Analytical Detection
Authors: H.-Q. Jin | Kenneth M. Merz
Source: Journal of Chemical Theory and Computation (article, 2024-05-14)
Field: Materials Science — Materials Chemistry

LigandDiff: de Novo Ligand Design for 3D Transition Metal Complexes with Diffusion Models Transition metal complexes are a class of compounds with varied and versatile properties, making them of great technological importance. Their applications cover a wide range of fields, either as metallodrugs in medicine or as materials, catalysts, batteries, solar cells, <i>etc.</i> The demand for the novel design of transition metal complexes with new properties remains of great interest. However, the traditional high-throughput screening approach is inherently expensive and laborious since it depends on human expertise. Here, we present LigandDiff, a generative model for the de novo design of novel transition metal complexes. Unlike the existing methods that simply extract and combine ligands with the metal to get new complexes, LigandDiff aims at designing configurationally novel ligands from scratch, which opens new pathways for the discovery of organometallic complexes. Moreover, it overcomes the limitations of current methods, where the diversity of new complexes highly relies on the diversity of available ligands, while LigandDiff can design numerous novel ligands without human intervention. Our results indicate that LigandDiff designs unique and novel ligands under different contexts, and these generated ligands are synthetically accessible. Moreover, LigandDiff shows good transferability by generating successful ligands for any transition metal complex. Template ; Transition metal ; Transferability ; Nanotechnology ; Design elements and principles ; Computer science ; Ligand (biochemistry) ; Combinatorial chemistry ; Chemistry ; Materials science ; Catalysis ; Software engineering ; Organic chemistry Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Chemical Synthesis and Analysis
Authors: Janaína Oliveira Gonçalves | Bruna Silva de Farias | Estéfani Cardillo Rios | Débora Pez Jaeschke | Anelise Christ-Ribeiro | Mariele Dalmolin da Silva | Mery Luiza Garcia Vieira | Valéria Vieira de Lima Carvalho | Tito Roberto Sant’Anna Cadaval | Luiz Antônio de Almeida Pinto
Source: Sustainability (article, 2024-09-25)
Field: Materials Science — Biomaterials

Advances in Chitosan-Based Materials for Application in Catalysis and Adsorption of Emerging Contaminants The increasing disposal of emerging contaminants in the environment is a worldwide concern due to environmental impacts, such as toxicity, hormonal disorders, and bioaccumulation. The persistence of these pollutants in water bodies makes conventional pollutant removal techniques inefficient or partial, thus requiring the development of new, more effective, sustainable remediation technologies. Therefore, chitosan-based materials have emerged as a promising alternative for application in catalysis and contaminant removal. The biopolymer has functional properties that make it an excellent adsorbent capable of removing more specific pollutants, such as pharmaceuticals, microplastics, agricultural pesticides, and perfluoroalkyl and poly-fluoroalkyl substances, which are increasingly in evidence today. Therefore, this review of recent and advanced research into using chitosan to manufacture catalytic and adsorption materials offers an innovative approach to treating contaminants in aqueous environments, significantly reducing their presence and impact. It discusses the advantages of using chitosan as an adsorbent and catalyst and its role as a support for catalysts and biocatalysts. In addition, the review highlights the diversity of the physical forms of chitosan, such as particles, membranes, and hydrogels, and its possible chemical modifications, highlighting its effectiveness in catalytic applications and the removal of a wide range of emerging contaminants. Chitosan ; Adsorption ; Contamination ; Catalysis ; Chemical engineering ; Chemistry ; Materials science ; Waste management ; Nanotechnology ; Environmental chemistry ; Engineering ; Organic chemistry Nanocomposite Films for Food Packaging ; Adsorption and biosorption for pollutant removal ; Nanomaterials for catalytic reactions
Authors: Haibin Si | Dexin Du | C.-J. Jiao | Yan Sun | Lu Li | Bo Tang
Source: Nature Communications (article, 2024-07-26)
Field: Materials Science — Materials Chemistry

Biomimetic synergistic effect of redox site and Lewis acid for construction of efficient artificial enzyme In enzymatic catalysis, the redox site and Lewis acid are the two main roles played by metal to assist amino acids. However, the reported enzyme mimics only focus on the redox-active metal as redox site, while the redox-inert metal as Lewis acid has, to the best of our knowledge, not been studied, presenting a bottleneck of enzyme mimics construction. Based on this, a series of highly efficient M<sub>x</sub>V<sub>2</sub>O<sub>5</sub>·nH<sub>2</sub>O peroxidase mimics with vanadium as redox site and alkaline-earth metal ion (M<sup>2+</sup>) as Lewis acid are reported. Experimental results and theoretical calculations indicate the peroxidase-mimicking activity of M<sub>x</sub>V<sub>2</sub>O<sub>5</sub>·nH<sub>2</sub>O show a periodic change with the Lewis acidity (ion potential) of M<sup>2+</sup>, revealing the mechanism of redox-inert M<sup>2+</sup> regulating electron transfer of V-O through non-covalent polarization and thus promoting H<sub>2</sub>O<sub>2</sub> adsorbate dissociation. The biomimetic synergetic effect of redox site and Lewis acid is expected to provide an inspiration for design of enzyme mimics. Redox ; Lewis acids and bases ; Chemistry ; Electron transfer ; Vanadium ; Active site ; Metal ; Enzyme ; Catalysis ; Combinatorial chemistry ; Photochemistry ; Inorganic chemistry ; Organic chemistry Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Electrochemical Analysis and Applications
Authors: Longhua Ding | Longwei Wang | Jian Zhang | Na Ren | Aizhu Wang | Hong Liu | Xin Yu
Source: Advanced Powder Materials (article, 2024-03-18)
Field: Materials Science — Materials Chemistry

Nanozymes regulated by nitrogen element: Mechanism, design, and application Nanozymes, a category of nanomaterials endowed with enzyme-mimicking capabilities, have exhibited considerable potential across diverse application domains. This comprehensive review delves into the intricacies of regulating nanozymes through N elements, elucidating the mechanisms governing N element control in the design and application of these nanomaterials. The initial sections introduce the foundational background and significance of nanozymes. Subsequent exploration delves into the detailed discussion of N element regulation mechanisms on nanozymes, encompassing N vacancies, N doping, N coordination, and nitride. These regulatory pathways play an instrumental role in fine-tuning the catalytic activity and specificity of nanozymes. The review further scrutinizes practical applications of N element regulation on nanozymes, spanning sensing detection, infection therapy, tumor therapy, and pollutant degradation. In conclusion, it succinctly summarizes the current research findings and proposes future directions for development. This thorough investigation into the regulation of nanozymes by N elements anticipates precise control over their performance, thereby advancing the extensive utilization of nanozymes in the realms of biomedical and environmental applications. Nanotechnology ; Nanomaterials ; Mechanism (biology) ; Design elements and principles ; Computer science ; Biochemical engineering ; Materials science ; Engineering ; Physics Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Mercury impact and mitigation studies
Authors: Carlos Moya | Jorge Ara | A. Labarta | X. Batlle
Source: Magnetism (article, 2024-08-28)
Field: Materials Science — Polymers and Plastics

Unraveling the Magnetic Properties of NiO Nanoparticles: From Synthesis to Nanostructure NiO nanoparticles have garnered significant interest due to their diverse applications and unique properties, which differ markedly from their bulk counterparts. NiO nanoparticles are p-type semiconductors with a wide bandgap, high discharge capacity, and high carrier density, making them ideal for use in batteries, sensors, and catalysts. Their ability to generate reactive oxygen species also imparts disinfectant and antibiotic properties. Additionally, the higher Néel temperature of NiO compared with other antiferromagnetic materials makes it suitable for high-temperature applications in spintronic devices and industrial settings. This review focuses on the critical role of structure and composition in determining the magnetic properties of NiO nanoparticles. It examines how finite-size surface effects, morphology, crystallinity, and nickel distribution influence these properties. Fundamental physical properties and characterization techniques are discussed first. Various synthesis methods and their impact on NiO nanoparticle properties are then explored. Their magnetic phenomenology is examined in detail, highlighting the effects of finite size, particle composition and surface, and crystal quality. The review concludes with a summary of key insights and future research directions for optimizing NiO nanoparticles in technological applications. Nanostructure ; Non-blocking I/O ; Nanoparticle ; Materials science ; Magnetic nanoparticles ; Nanotechnology ; Chemical engineering ; Chemistry ; Engineering Transition Metal Oxide Nanomaterials ; ZnO doping and properties ; Multiferroics and related materials
Authors: Yanfen Wu | Qikun Hu | Yizhen Che | Zhiqiang Niu
Source: Chemical Science (article, 2024-01-01)
Field: Materials Science — Biomaterials

Opportunities and challenges for plastic depolymerization by biomimetic catalysis Plastic waste has imposed significant burdens on the environment. Chemical recycling allows for repeated regeneration of plastics without deterioration in quality, but often requires harsh reaction conditions, thus being environmentally unfriendly. Enzymatic catalysis offers a promising solution for recycling under mild conditions, but it faces inherent limitations such as poor stability, high cost, and narrow substrate applicability. Biomimetic catalysis may provide a new avenue by combining high enzyme-like activity with the stability of inorganic materials. Biomimetic catalysis has demonstrated great potential in biomass conversion and has recently shown promising progress in plastic degradation. This perspective discusses biomimetic catalysis for plastic degradation from two perspectives: the imitation of the active centers and the imitation of the substrate-binding clefts. Given the chemical similarity between biomass and plastics, relevant work is also included in the discussion to draw inspiration. We conclude this perspective by highlighting the challenges and opportunities in achieving sustainable plastic recycling <i>via</i> a biomimetic approach. Depolymerization ; Catalysis ; Polymer science ; Biochemical engineering ; Nanotechnology ; Chemistry ; Materials science ; Engineering ; Organic chemistry biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Advanced Nanomaterials in Catalysis
Authors: Umberto Celano | Daniel Schmidt | C. Beitia | George Orji | Albert V. Davydov | Yaw S. Obeng
Source: Nanoscale Advances (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Metrology for 2D materials: a perspective review from the international roadmap for devices and systems The International Roadmap for Devices and Systems (IRDS) predicts the integration of 2D materials into high-volume manufacturing as channel materials within the next decade, primarily in ultra-scaled and low-power devices. While their widespread adoption in advanced chip manufacturing is evolving, the need for diverse characterization methods is clear. This is necessary to assess structural, electrical, compositional, and mechanical properties to control and optimize 2D materials in mass-produced devices. Although the lab-to-fab transition remains nascent and a universal metrology solution is yet to emerge, rapid community progress underscores the potential for significant advancements. This paper reviews current measurement capabilities, identifies gaps in essential metrology for CMOS-compatible 2D materials, and explores fundamental measurement science limitations when applying these techniques in high-volume semiconductor manufacturing. Perspective (graphical) ; Metrology ; Engineering ethics ; Systems engineering ; Nanotechnology ; Engineering ; Engineering physics ; Computer science ; Materials science ; Physics ; Optics ; Artificial intelligence Graphene research and applications ; 2D Materials and Applications ; Ferroelectric and Negative Capacitance Devices
Authors: Jonas Düker | Maximilian Philipp | Thomas Lentner | Jamie A. Cadge | João E. A. Lavarda | Ruth M. Gschwind | Matthew S. Sigman | Indrajit Ghosh | Burkhard Koenig
Source: ACS Catalysis (article, 2024-12-27)
Field: Chemistry — Organic Chemistry

Cross-Coupling Reactions with Nickel, Visible Light, and <i>tert</i> -Butylamine as a Bifunctional Additive Transition metal catalysis is crucial for the synthesis of complex molecules, with ligands and bases playing a pivotal role in optimizing cross-coupling reactions. Despite advancements in ligand design and base selection, achieving effective synergy between these components remains challenging. We present here a general approach to nickel-catalyzed photoredox reactions employing <i>tert</i>-butylamine as a cost-effective bifunctional additive, acting as the base and ligand. This method proves effective for C-O and C-N bond-forming reactions with a diverse array of nucleophiles, including phenols, aliphatic alcohols, anilines, sulfonamides, sulfoximines, and imines. Notably, the protocol demonstrates significant applicability in biomolecule derivatization and facilitates sequential one-pot functionalizations. Spectroscopic investigations revealed the robustness of the dynamic catalytic system, while elucidation of structure-reactivity relationships demonstrated how computed molecular properties of both the nucleophile and electrophile correlated to reaction performance, providing a foundation for effective reaction outcome prediction. Bifunctional ; Nucleophile ; Chemistry ; Electrophile ; Combinatorial chemistry ; Catalysis ; Ligand (biochemistry) ; Coupling reaction ; Reactivity (psychology) ; Derivatization ; Organic chemistry Sulfur-Based Synthesis Techniques ; Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods