jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yardjouma Silué | Olaniyi Amos Fawole
Source: Foods (review, 2024-07-24)
Field: Materials Science — Biomaterials

Global Research Network Analysis of Edible Coatings and Films for Preserving Perishable Fruit Crops: Current Status and Future Directions Edible coatings and films have gained substantial attention as a promising and sustainable technology for fruit preservation. This study employed a bibliometric analysis to identify core research areas, research gaps, and emerging trends, thus providing a comprehensive roadmap for future research on the use of edible coatings and films for fruit quality preservation. The study involved 428 research articles related to edible coatings and films for fruit preservation published in the Scopus database before 06 October 2023. Utilizing Vosviewer and R for network analysis, we generated network visualization maps, research performance statistics, and identified key contributors and their collaborations. The results show the evolution of this field into three distinct phases: Initial Exploration (1998-2007), Growing Interest (2008-2015), and Rapid Expansion (2016-2023). The study revealed contributions from 1713 authors, with the first article appearing in 1998. Brazil and China emerged as the most productive countries in this domain. The core research areas focus on biomaterials, functional properties, and natural substances. Identified research gaps include pilot and industrial-scale applications, the lack of a regulatory framework and safety guidelines, and the application of artificial intelligence (AI), particularly deep learning and machine learning, in this field of edible coatings and films for fruit preservation. Overall, this study offers a scientific understanding of past achievements and ongoing research needs, thus aiming to boost a broader adoption of edible coatings and films by consumers and the food industry to preserve fruit quality, thereby enhancing their societal and environmental impact. Current (fluid) ; Agricultural engineering ; Environmental science ; Agroforestry ; Biotechnology ; Biology ; Engineering Nanocomposite Films for Food Packaging ; Food Chemistry and Fat Analysis ; Botanical Research and Applications
Authors: Peter Schindler | Evan R. Antoniuk | Gowoon Cheon | Yanbing Zhu | Evan J. Reed
Source: Advanced Functional Materials (article, 2024-03-20)
Field: Materials Science — Materials Chemistry

Discovery of Stable Surfaces with Extreme Work Functions by High‐Throughput Density Functional Theory and Machine Learning Abstract The work function is the key surface property that determines the energy required to extract an electron from the surface of a material. This property is crucial for thermionic energy conversion, band alignment in heterostructures, and electron emission devices. This work presents a high‐throughput workflow using density functional theory (DFT) to calculate the work function and cleavage energy of 33,631 slabs (58,332 work functions) that are created from 3,716 bulk materials. The number of calculated surface properties surpasses the previously largest database by a factor of ≈27. Several surfaces with an ultra‐low (&lt;2 eV) and ultra‐high (&gt;7 eV) work function are identified. Specifically, the (100)‐Ba‐O surface of BaMoO 3 and the (001)‐F surface of Ag 2 F have record‐low (1.25 eV) and record‐high (9.06 eV) steady‐state work functions. Based on this database a physics‐based approach to featurize surfaces is utilized to predict the work function. The random forest model achieves a test mean absolute error (MAE) of 0.09 eV, comparable to the accuracy of DFT. This surrogate model enables rapid predictions of the work function (≈ 10 5 faster than DFT) across a vast chemical space and facilitates the discovery of material surfaces with extreme work functions for energy conversion and electronic device applications. Work function ; Density functional theory ; Materials science ; Work (physics) ; Thermionic emission ; Heterojunction ; Function (biology) ; Surface (topology) ; Nanotechnology ; Electron ; Computational chemistry ; Optoelectronics ; Thermodynamics ; Physics ; Quantum mechanics ; Chemistry ; Geometry Machine Learning in Materials Science ; Electronic and Structural Properties of Oxides ; Advanced Photocatalysis Techniques
Authors: Emanuele Alberto Slejko | Giovanni Carraro | Xiongchuan Huang | Marco Smerieri
Source: Polymers (review, 2024-09-04)
Field: Materials Science — Polymers and Plastics

Advances in the Fabrication, Properties, and Applications of Electrospun PEDOT-Based Conductive Nanofibers The production of nanofibers has become a significant area of research due to their unique properties and diverse applications in various fields, such as biomedicine, textiles, energy, and environmental science. Electrospinning, a versatile and scalable technique, has gained considerable attention for its ability to fabricate nanofibers with tailored properties. Among the wide array of conductive polymers, poly(3,4-ethylenedioxythiophene) (PEDOT) has emerged as a promising material due to its exceptional conductivity, environmental stability, and ease of synthesis. The electrospinning of PEDOT-based nanofibers offers tunable electrical and optical properties, making them suitable for applications in organic electronics, energy storage, biomedicine, and wearable technology. This review, with its comprehensive exploration of the fabrication, properties, and applications of PEDOT nanofibers produced via electrospinning, provides a wealth of knowledge and insights into leveraging the full potential of PEDOT nanofibers in next-generation electronic and functional devices by examining recent advancements in the synthesis, functionalization, and post-treatment methods of PEDOT nanofibers. Furthermore, the review identifies current challenges, future directions, and potential strategies to address scalability, reproducibility, stability, and integration into practical devices, offering a comprehensive resource on conductive nanofibers. PEDOT:PSS ; Nanofiber ; Electrospinning ; Materials science ; Nanotechnology ; Fabrication ; Conductive polymer ; Polymer ; Composite material Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Supercapacitor Materials and Fabrication
Authors: Alexander Shao‐Rong Pang | Tarini Dinesh | Natalie Yan‐Lin Pang | Vishalli Dinesh | Kimberley Yun‐Lin Pang | Cai Ling Yong | S. Lee | George W. Yip | Boon‐Huat Bay | Dinesh Kumar Srinivasan
Source: Molecules (article, 2024-06-17)
Field: Materials Science — Biomaterials

Nanoparticles as Drug Delivery Systems for the Targeted Treatment of Atherosclerosis Atherosclerosis continues to be a leading cause of morbidity and mortality globally. The precise evaluation of the extent of an atherosclerotic plaque is essential for forecasting its likelihood of causing health concerns and tracking treatment outcomes. When compared to conventional methods used, nanoparticles offer clear benefits and excellent development opportunities for the detection and characterisation of susceptible atherosclerotic plaques. In this review, we analyse the recent advancements of nanoparticles as theranostics in the management of atherosclerosis, with an emphasis on applications in drug delivery. Furthermore, the main issues that must be resolved in order to advance clinical utility and future developments of NP research are discussed. It is anticipated that medical NPs will develop into complex and advanced next-generation nanobotics that can carry out a variety of functions in the bloodstream. Drug delivery ; Intensive care medicine ; Risk analysis (engineering) ; Medicine ; Targeted drug delivery ; Drug ; Nanotechnology ; Computer science ; Pharmacology ; Materials science Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Advanced Biosensing Techniques and Applications
Authors: Huiyang Hu | Prabhakar Busa | Yue Zhao | Chao Zhao
Source: Smart Materials in Medicine (article, 2024-08-30)
Field: Materials Science — Biomaterials

Externally triggered drug delivery systems Externally triggered drug delivery systems empower patients or healthcare providers to utilize external stimuli to initiate drug release from implanted systems. This approach holds significant potential for clinical disease management, offering appealing features like enhanced patient adherence through the elimination of needles and medication reminders. Additionally, it facilitates personalized medicine by granting patients control over the timing, dosage, and duration of drug release. Moreover, it enables precise drug delivery to targeted locations where external stimuli are applied. Advances in materials science, nanotechnology, chemistry, and biology have been pivotal in driving the development of these systems. This review presents an overview of the progress in research on drug release systems responsive to external stimuli, such as light, ultrasound, magnetic fields, and temperature. It discusses the construction strategies of externally triggered drug delivery systems, the mechanisms governing triggered drug release, and their applications in disease management. Drug ; Drug delivery ; Computer science ; Medicine ; Pharmacology ; Nanotechnology ; Materials science Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics
Authors: Edgar Manriquez‐Sandoval | J. P. N. Brewer | Gabriela Lule | Samanta Lopez | Stephen D. Fried
Source: Journal of Proteome Research (article, 2024-05-24)
Field: Chemistry — Spectroscopy

FLiPPR: A Processor for Limited Proteolysis (LiP) Mass Spectrometry Data Sets Built on FragPipe Here, we present FLiPPR, or FragPipe LiP (limited proteolysis) Processor, a tool that facilitates the analysis of data from limited proteolysis mass spectrometry (LiP-MS) experiments following primary search and quantification in FragPipe. LiP-MS has emerged as a method that can provide proteome-wide information on protein structure and has been applied to a range of biological and biophysical questions. Although LiP-MS can be carried out with standard laboratory reagents and mass spectrometers, analyzing the data can be slow and poses unique challenges compared to typical quantitative proteomics workflows. To address this, we leverage FragPipe and then process its output in FLiPPR. FLiPPR formalizes a specific data imputation heuristic that carefully uses missing data in LiP-MS experiments to report on the most significant structural changes. Moreover, FLiPPR introduces a data merging scheme and a protein-centric multiple hypothesis correction scheme, enabling processed LiP-MS data sets to be more robust and less redundant. These improvements strengthen statistical trends when previously published data are reanalyzed with the FragPipe/FLiPPR workflow. We hope that FLiPPR will lower the barrier for more users to adopt LiP-MS, standardize statistical procedures for LiP-MS data analysis, and systematize output to facilitate eventual larger-scale integration of LiP-MS data. Proteolysis ; Mass spectrometry ; Chemistry ; Computer science ; Computational biology ; Chromatography ; Biochemistry ; Biology ; Enzyme Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Che‐Fan Huang | Michael A. R. Hollas | Aniel Sánchez | Mrittika Bhattacharya | Giang Ho | Ambika Sundaresan | Michael A. Caldwell | Xiaoyan Zhao | Ryan W. Benz | Asim Siddiqui | Neil L. Kelleher
Source: Journal of Proteome Research (article, 2024-09-23)
Field: Chemistry — Spectroscopy

Deep Profiling of Plasma Proteoforms with Engineered Nanoparticles for Top-Down Proteomics The dynamic range challenge for the detection of proteins and their proteoforms in human plasma has been well documented. Here, we use the nanoparticle protein corona approach to enrich low-abundance proteins selectively and reproducibly from human plasma and use top-down proteomics to quantify differential enrichment for the 2841 detected proteoforms from 114 proteins. Furthermore, nanoparticle enrichment allowed top-down detection of proteoforms between ∼1 μg/mL and ∼10 pg/mL in absolute abundance, providing up to a 10<sup>5</sup>-fold increase in proteome depth over neat plasma in which only proteoforms from abundant proteins (>1 μg/mL) were detected. The ability to monitor medium and some low-abundant proteoforms through reproducible enrichment significantly extends the applicability of proteoform research by adding depth beyond albumin, immunoglobins, and apolipoproteins to uncover many involved in immunity and cell signaling. As proteoforms carry unique information content relative to peptides, this report opens the door to deeper proteoform sequencing in clinical proteomics of disease or aging cohorts. Profiling (computer programming) ; Proteomics ; Nanoparticle ; Nanotechnology ; Plasma ; Chemistry ; Computational biology ; Computer science ; Materials science ; Biology ; Physics ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Biosensors and Analytical Detection
Authors: Antonietta Mancuso | Olimpia Tammaro | Federico Raffone | Giancarlo Cicero | Olga Sacco | Michele Pansini | Vincenzo Vaiano | Serena Esposito
Source: Chemical Engineering Journal (article, 2024-12-19)
Field: Chemistry — Inorganic Chemistry

Enhanced adsorptive removal of chloramphenicol from water by highly defective MOF-808 nanocrystals fine-tuned with reliable synthesis strategy: Mechanism insight by equilibrium, kinetics and molecular dynamics simulations • A defective MOF-808 was prepared by a reliable synthesis strategy. • 0.375 g L −1 of MOF-808 dosage almost completely removed chloramphenicol in 60 min. • Nano MOF-808 showed excellent stability after five regeneration-reuse cycles. • Thermodynamics and kinetics evaluations were performed thoroughly. • The adsorption mechanism was revealed by molecular dynamics simulations. This study proposes for the first time the use of nanoscale MOF-808 for the adsorptive removal of the antibiotic chloramphenicol from aqueous solutions. A reliable and robust synthesis strategy is used to downsize MOF-808 to the nanoscale, resulting in nanocrystals with an octahedral morphology (average size 80 nm) and a significantly high specific surface area (SSA around 2100 m 2 g −1 ). The determination of the actual formula of the highly defective nano-MOF is assessed by thermogravimetric analysis. Adsorption of chloramphenicol onto nano-MOF-808 is investigated by varying initial drug concentration, adsorbent dosage, and pH. Nearly complete chloramphenicol removal (99 %) is achieved within 60 min when treating an aqueous solution at the pollutant initial concentration of 50 mg/L with 0.25 g/L nano-MOF-808 dosage and at the spontaneous pH of drug aqueous solution (pH = 6). Kinetic and isotherm studies reveal pseudo-second-order kinetics and Langmuir isotherm as the best-fit models. The adsorption energy estimated by the Dubinin-Radushkevich model indicates that drug adsorption is mainly characterized by the establishment of weak interactions, typical of physical adsorption. The experimental data obtained at different pHs are discussed in conjunction with molecular dynamics simulations, showing that the chloramphenicol is mainly adsorbed on the external surface of the nano-MOF-808 and that the rate-limiting step is the diffusion of drug molecules through the boundary layer surrounding the nano-MOF whose charge, altered by the pH of the solution, can promote or inhibit the drug intake. Finally, the prepared nano-MOF-808 shows high stability since the adsorption performances did not worsen after five reuse cycles. Kinetics ; Mechanism (biology) ; Molecular dynamics ; Chloramphenicol ; Chemistry ; Nanocrystal ; Nanotechnology ; Materials science ; Chemical physics ; Computational chemistry ; Physics ; Biochemistry Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Magnesium Oxide Properties and Applications
Authors: Mengyao Li | Xueke Zhao | Dongyang Wang | Xu Han | Dawei Yang | Benteng Wu | Hongzhang Song | Mochen Jia | Yu Liu | Jordi Arbiol | Andreu Cabot
Source: Nano Letters (article, 2024-06-21)
Field: Materials Science — Materials Chemistry

Enhancing the Thermoelectric and Mechanical Properties of p-Type PbS through Band Convergence and Microstructure Regulation While lead sulfide shows notable thermoelectric properties, its production costs remain high, and its mechanical hardness is low, which constrains its commercial viability. Herein, we demonstrate a straightforward and cost-effective method to produce PbS nanocrystals at ambient temperature. By introducing controlled amounts of silver, we achieve p-type conductivity and fine-tune the energy band structure and lattice configuration. Computational results show that silver shifts the Fermi level into the valence band, facilitating band convergence and thereby enhancing the power factor. Besides, excess silver is present as silver sulfide, which effectively diminishes the interface barrier and enhances the Seebeck coefficient. Defects caused by doping, along with dislocations and interfaces, reduce thermal conductivity to 0.49 W m<sup>-1</sup> K<sup>-1</sup> at 690 K. Moreover, the alterations in crystal structure and chemical composition enhance the PbS mechanical properties. Overall, optimized materials show thermoelectric figures of merit approximately 10-fold higher than that of pristine PbS, alongside an average hardness of 1.08 GPa. Thermoelectric effect ; Materials science ; Microstructure ; Thermoelectric materials ; Seebeck coefficient ; Figure of merit ; Doping ; Electronic band structure ; Thermal conductivity ; Nanocrystal ; Conductivity ; Electrical resistivity and conductivity ; Nanotechnology ; Composite material ; Optoelectronics ; Condensed matter physics ; Chemistry ; Physical chemistry ; Thermodynamics Advanced Thermoelectric Materials and Devices ; Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films
Authors: Eman A. Alabbad | Muhammad Aadil | Moutaz Aldrdery | Noura Dawas Alkhaldi | Awais Khalid | Mazen R. Alrahili | Meri Algarni | Atef El Jery | Mohamed R. El‐Aassar
Source: Ceramics International (article, 2024-10-23)
Field: Chemistry — Inorganic Chemistry

Nanostructured codoped neodymium orthoferrite synthesized via the hydrothermal route for photocatalytic annihilation of crystal violet dye Orthoferrite ; Materials science ; Hydrothermal circulation ; Photocatalysis ; Neodymium ; Hydrothermal synthesis ; Crystal (programming language) ; Lanthanide ; Chemical engineering ; Optics ; Laser ; Ion ; Organic chemistry ; Chemistry Pigment Synthesis and Properties ; Quantum Dots Synthesis And Properties ; Transition Metal Oxide Nanomaterials
Authors: Luis Ángel Alfonso Herrera | H.I. Beltrán
Source: Coordination Chemistry Reviews (review, 2024-01-31)
Field: Chemistry — Inorganic Chemistry

Infiltration as a frontier bandgap engineering strategy in MOFs: A critical review Chemistry ; Frontier ; Infiltration (HVAC) ; Band gap ; Nanotechnology ; Engineering physics ; Optoelectronics ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; Magnesium Oxide Properties and Applications
Authors: Xin Jiang | Jin Jia | Yuanyuan Zhu | Jiajia Li | Haowen Jia | Conghu Liu | Guangzhen Zhao | Lianghao Yu | Guang Zhu
Source: Energy storage materials (article, 2024-05-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Beyond conventional limits: Advancements and insights in broadening operating temperature ranges of supercapacitors Supercapacitor ; Materials science ; Nanotechnology ; Electrolyte ; Separator (oil production) ; Energy storage ; Systems engineering ; Engineering physics ; Process engineering ; Computer science ; Power (physics) ; Electrode ; Engineering ; Capacitance Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Conducting polymers and applications
Authors: Maryam Chafiq | Abdelkarim Chaouiki | Aisha H. Al‐Moubaraki | Young Gun Ko
Source: Process Safety and Environmental Protection (article, 2024-02-15)
Field: Chemistry — Inorganic Chemistry

Recent progress in ZIF nanocomposite materials for wastewater pollutant in aqueous solution: A mini-review Nanocomposite ; Wastewater ; Nanotechnology ; Adsorption ; Aqueous solution ; Pollutant ; Materials science ; Portable water purification ; Environmental remediation ; Waste management ; Environmental science ; Environmental engineering ; Contamination ; Engineering ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Covalent Organic Framework Applications
Authors: Hui-Yue Zhao | Yuanqiang Chen | Xingyu Luo | Mingjie Cai | Jiayi Li | Xinyu Lin | Hao Zhang | Hong‐Ming Ding | Guangliang Jiang | Yong Hu
Source: ACS Nano (article, 2024-01-10)
Field: Materials Science — Biomaterials

Ligand Phase Separation-Promoted, “Squeezing-Out” Mode Explaining the Mechanism and Implications of Neutral Nanoparticles That Escaped from Lysosomes Neutral nanomaterials functionalized with PEG or similar molecules have been popularly employed as nanomedicines. Compared to positive counterparts that are capable of harnessing the well-known proton sponge effect to facilitate their escape from lysosomes, it is yet unclear how neutral substances got their entry into the cytosol. In this study, by taking PEGylated, neutral Au nanospheres as an example, we systematically investigated their time-dependent translocation postuptake. Specifically, we harnessed dissipative particle dynamics simulations to uncover how nanospheres bypass lysosomal entrapment, wherein a mechanism termed as "squeezing-out" mode was discovered. We next conducted a comprehensive investigation on how nanomaterials implicate lysosomes in terms of integrity and functionality. By using single-molecule imaging, specific preservation of PEG-terminated with targeting moieties in lysosomes supports the "squeezing-out" mode as the mechanism underlying the lysosomal escape of nanomaterials. All evidence points out that such a process is benign to lysosomes, wherein the escape of nanomaterials proceeds at the expense of targeting moieties loss. Furthermore, we proved that by fine-tuning of the efficacy of nanomaterials escaping from lysosomes, modulation of distinct pathways and metabolic machinery can be achieved readily, thereby offering us a simple and robust tool to implicate cells. Nanomaterials ; Nanotechnology ; Dissipative particle dynamics ; Mechanism (biology) ; Nanoparticle ; Biophysics ; Cytosol ; Molecule ; Chemistry ; Materials science ; Biology ; Biochemistry ; Physics ; Enzyme Nanoparticle-Based Drug Delivery ; Surfactants and Colloidal Systems ; Polymer Surface Interaction Studies