jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Stefano Mariani | Kliton Cikalleshi | Marilena Ronzan | Carlo Filippeschi | Giovanna Adele Naselli | Barbara Mazzolai
Source: Small (article, 2024-09-17)
Field: Materials Science — Surfaces, Coatings and Films

A Biodegradable, Porous Flier Inspired by a Parachute‐Like <i>Tragopogon</i> Fruit for Environmental Preservation New devices inspired by flying seeds, or more technically by fruits with dispersal units, could have a significant impact for environmental monitoring and aerial seeding. Among the various types of dispersal units (e.g., winged, gliding), parachuted or plumed units offer the lowest vertical descent speed (i.e., 0.3-0.7 m s<sup>-1</sup>), making them an appealing solution for wind-driven distribution over large areas. Here, a biodegradable and porous parachute flier based on cellulose acetate, inspired by a Tragopogon pratensis fruit is presented. A micrometric-thick pappus is 3D printed and integrated with a porous colorimetric indicator or a porous beak, with micrometric pores, fabricated through injection molding and leaching techniques. Thanks to the bioinspired design and the lightweight porous structure, the artificial Tragopogon mimics the aerodynamics and descent speed of the natural species. Its feasibility is demonstrated in aerial seeding by integrating the beak with a mustard seed (as a model), and in environmental monitoring by coupling it with colorimetric indicators for rain pH and nitrate levels in soils. The proposed flier represents a significant advancement as it is the first parachute-like biodegradable solution, seamlessly integrated into natural ecosystems, thus contributing to moving a step forward in artificial solutions with zero impact. Seed dispersal ; Porosity ; Biological dispersal ; Seeding ; Environmental science ; Materials science ; Biology ; Composite material ; Agronomy Surface Modification and Superhydrophobicity ; Advanced Materials and Mechanics ; Micro and Nano Robotics
Authors: Hani Nasser Abdelhamid
Source: Preprints.org (review, 2024-07-31)
Field: Materials Science — Biomaterials

Nanocellulose-Based Materials for Water Pollutants Removal: A Review Cellulose in the nano regime, defined as nanocellulose, has been intensively used for water treatment. Nanocellulose can be produced in various forms including colloidal, water-re-dispersible powders, films, membranes, nano papers, hydrogels/aerogels, and three-dimensional (3D) objects. They were reported for the removal of water contaminants e.g., heavy metals, dyes, drugs, pesticides, pharmaceuticals, microbial cells, and other pollutants from water systems. This review summarized the recent technologies for water treatment using nanocellulose-based materials. A scientometric analysis of the topic was also included. Cellulose-based materials enable the removal of water contaminants, and salts offer advanced technologies for water desalination. They are widely used as substrates, adsorbents, and catalysts. They were applied for pollutant removal via several methods such as adsorption, filtration, disinfection, coagulation/flocculation, chemical precipitation, sedimentation, Reverse Osmosis (RO), ultrafiltration (UF), nanofiltration (NF), electrofiltration (Electrodialysis), ion-exchange, chelation, catalysis, and photocatalysis. Processing cellulose into commercial products enables the wide use of nanocellulose-based materials as adsorbents and catalysts. Nanocellulose ; Pollutant ; Environmental science ; Water pollutants ; Environmental chemistry ; Waste management ; Engineering ; Chemistry ; Chemical engineering ; Cellulose Advanced Cellulose Research Studies
Authors: Fahed A. Aloufi | Nadhem Missaoui | Riyadh F. Halawani | Hamza Kahri | Bassem Jamoussi | Andrew J. Gross
Source: Environmental Science and Pollution Research (article, 2024-04-17)
Field: Chemistry — Inorganic Chemistry

Unusually large microporous HKUST-1 via polyethylene glycol-templated synthesis: enhanced CO2 uptake with high selectivity over CH4 and N2 Microporous material ; Polyethylene glycol ; Adsorption ; BET theory ; Materials science ; Bar (unit) ; Chemical engineering ; Specific surface area ; Langmuir adsorption model ; Chemistry ; Nuclear chemistry ; Organic chemistry ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon Dioxide Capture Technologies
Authors: Bryce G. Mullens | Matilde Saura‐Múzquiz | Giulio Cordaro | Frederick P. Marlton | Helen E. Maynard‐Casely | Zhaoming Zhang | Gianguido Baldinozzi | Brendan J. Kennedy
Source: Chemistry of Materials (article, 2024-05-06)
Field: Materials Science — Materials Chemistry

Variable Temperature In Situ Neutron Powder Diffraction and Conductivity Studies of Undoped HoNbO<sub>4</sub> and HoTaO<sub>4</sub> Neutron powder diffraction data has been used to quantify the monoclinic (space group I2/a) to tetragonal (I41/a) phase transition that occurs at 775 °C in HoNbO4 and 1300 °C in HoTaO4. In both cases, deviation from second-order behavior is evident. The LnTaO4 (Ln = Tb–Er) family of oxides has the potential to adopt one of monoclinic, I2/a or P2/c, structures depending on the synthesis conditions. The monoclinic P2/c polymorph of HoTaO4 undergoes an irreversible first-order phase transition to the high-temperature I41/a scheelite-type structure upon heating, with the monoclinic I2/a phase recovered upon cooling. This is the first direct evidence of this irreversible phase transition and implies a maximum heating temperature to synthesize the P2/c phase for potential ionic conductivity applications. Heating a green powder mixture of Ho2O3 + Ta2O5 revealed a complex series of phase transformations, including the observation of a weberite-type Ho3TaO7 intermediate between 1200 and 1390 °C that was not observed upon cooling. Coupled with electrochemical impedance spectroscopy measurements, this diffraction data provides a structural model that explains the higher mobility of charge carriers in LnTaO4 materials that can be used to identify dopants and improve their ionic conductivity and applicability. Undoped HoNbO4 and HoTaO4 are poor conductors, and the activation energy of tetragonal HoNbO4 is greater than that of the monoclinic polymorphs. Oxygen ion and proton conductivities of the undoped structures occur via interstitial oxygen sites (∼10–6 S cm–1 at 800 °C), providing a potential avenue to improve their application in practical devices such as solid oxide fuel cells. Monoclinic crystal system ; Tetragonal crystal system ; Neutron diffraction ; Materials science ; Conductivity ; Ionic conductivity ; Powder diffraction ; Dielectric spectroscopy ; Crystallography ; Phase transition ; Phase (matter) ; Analytical Chemistry (journal) ; Ionic bonding ; Electrical resistivity and conductivity ; Crystal structure ; Chemistry ; Electrochemistry ; Physical chemistry ; Ion ; Thermodynamics ; Electrode ; Organic chemistry Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Nuclear materials and radiation effects
Authors: Tian Che | Shuai Liu | Yatong Wang | Pin Zhao | Chengpeng Yang | Xiaohang Pan | Hongze Ji | Lin Geng | Qiong Sun | Ziyi Hu | Alei Li | Chengxu Zhou | Li-Chun Xu | Yunlei Zhong | Dan Tian | Yong Yang | Lixing Kang
Source: ACS Nano (article, 2024-11-13)
Field: Materials Science — Materials Chemistry

Interfacial Charge Transfer in One-Dimensional AgBr Encapsulated inside Single-Walled Carbon Nanotube Heterostructures The advent of one-dimensional van der Waals heterostructure (1D vdWH) nanomaterials has provided valuable opportunities for the advancement of electronic or optical devices, as well as for exploring various condensed matter phenomena. Electron transfer is a fundamental process in host-guest interactions, significantly influencing nanoscale physicochemical processes. Elucidating the mechanism by which the host influences the electronic structure of the guest is essential for elucidating these interactions. This study reports the successful synthesis of a material system consisting of precisely resolved AgBr nanowires encapsulated within single-walled carbon nanotubes (SWCNTs) that has been successfully synthesized and utilized to investigate the intrinsic electron transfer across 1D vdWHs. Cyclic voltammetry (CV) was employed to investigate the 1D vdWH interaction between AgBr and SWCNTs, which provided a more intuitive and accurate characterization of the charge transfer from SWCNTs to AgBr. Furthermore, Kelvin probe force microscopy showed a 149 mV reduction in the average surface potential of carbon nanotubes after AgBr filling, supporting the efficacy of CV in probing electron dynamics in 1D vdWHs. Finally, theoretical calculations indicated a charge transfer of 0.11 e<sup>-</sup> per simulation cell, reinforcing the effectiveness of CV in assessing the interactions within 1D vdWHs. Materials science ; Carbon nanotube ; Heterojunction ; Charge (physics) ; Nanotechnology ; Chemical physics ; Nanotube ; Optoelectronics ; Chemistry ; Physics Graphene research and applications ; Molecular Junctions and Nanostructures ; ZnO doping and properties
Authors: Liang Chen | Ziwei Zhang | Cory Matsumoto | Yu Gao
Source: Analytical Chemistry (article, 2024-06-04)
Field: Chemistry — Spectroscopy

High-Throughput Proteomics Enabled by a Fully Automated Dual-Trap and Dual-Column LC-MS This Technical Note describes a dual-column liquid chromatography system coupled to mass spectrometry (LC-MS) for high-throughput bottom-up proteomic analysis. This system made full use of two 2-position 10-port valves and a binary pump with an integrated loading pump of a commercial LC instrument to provide successive operation of two parallel subsystems. Each subsystem consisted of a set of trap columns and an analytical column. A T-junction union was used to split the mobile phase from the loading pump into two parts. This allowed one set of columns to be washed and equilibrated, followed by the injection of the next sample, while the previous sample was eluting and being analyzed on the other set of columns, thereby greatly increasing the analysis throughput. This approach showed high reproducibility for the analysis of HeLa tryptic digests with average relative standard deviation (RSD) values of 1.75%, 6.90%, and 5.19% for the identification number of proteins, peptides, and peptide-spectrum matches (PSMs), respectively, across 10 consecutive runs. The capacity for peptide and protein identification, as well as proteome depth, of the dual-column LC system was comparable to a conventional single-column system. Due to its simple equipment requirements and set up process, this method should be highly accessible for other laboratories. Chemistry ; Chromatography ; Throughput ; Mass spectrometry ; Analytical Chemistry (journal) ; Column (typography) ; Proteomics ; Proteome ; Computer science Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography
Authors: Weiran Xie | Jie Zhang | Yue Bai | Yingjie Liu | Hangtian Wang | Peiyuan Yu | Jing Li | Hao Chang | Zili Wang | Fan Gao | Guodong Wei | Weisheng Zhao | Tianxiao Nie
Source: APL Materials (article, 2024-03-01)
Field: Materials Science — Materials Chemistry

Air stability and composition evolution in van der Waals Fe3GeTe2 Layered two-dimensional ferromagnetic materials have emerged as a promising platform for spintronic applications, owing to their extraordinary physical properties. Remarkably, the representative two-dimensional ferromagnet Fe3GeTe2 has been extensively investigated due to its high Curie temperature and strong perpendicular magnetic anisotropy, which are beneficial for high-density storage at room temperature. However, there are few reports on its stability in the air and the surface oxidation products, which may prohibit its future application. Here, we report the natural oxidation process of Fe3GeTe2 films grown by molecular beam epitaxy evolved in the atmosphere, which was studied by x-ray photoelectron spectroscopy measurements and transmission electron microscopy. Our research shows that the surface of the Fe3GeTe2 film is oxidized quickly when exposed to air and shows two obviously evolving stages in the whole oxidation process. In the first stage, metallic Ge atoms are almost completely oxidized to form Ge–O bonds in GeO2, while partial metallic Fe and Te atoms are oxidized into Fe2O3 and TeO2, respectively. The second stage of oxidation is dominated by changes in the valence state of the Fe element, where Fe2O3 is reduced to FeCO3 through the participation of carbon adsorbed on the surface with the final oxidation product of FeCO3 · GeO2 · TeO2. Our findings provide insight into the subsequent growth and protection of Fe3GeTe2 thin films, which is of great significance for in-depth study and further application of spintronic devices in two-dimensional limits. Materials science ; Spintronics ; X-ray photoelectron spectroscopy ; Ferromagnetism ; van der Waals force ; Molecular beam epitaxy ; Valence (chemistry) ; Curie temperature ; Chemical physics ; Epitaxy ; Nanotechnology ; Condensed matter physics ; Chemical engineering ; Molecule ; Chemistry 2D Materials and Applications ; Quantum Dots Synthesis And Properties ; Perovskite Materials and Applications
Authors: Yingying Sun | Ziyuan Xing | Shuang Liang | Zelei Miao | Lai‐Bao Zhuo | Wenhao Jiang | Hui Zhao | Huanhuan Gao | Yuting Xie | Yan Zhou | Liang Yue | Xue Cai | Yu‐Ming Chen | Ju‐Sheng Zheng | Tiannan Guo
Source: Molecular & Cellular Proteomics (article, 2024-09-13)
Field: Chemistry — Spectroscopy

metaExpertPro: A Computational Workflow for Metaproteomics Spectral Library Construction and Data-Independent Acquisition Mass Spectrometry Data Analysis Analysis of large-scale data-independent acquisition mass spectrometry metaproteomics data remains a computational challenge. Here, we present a computational pipeline called metaExpertPro for metaproteomics data analysis. This pipeline encompasses spectral library generation using data-dependent acquisition MS, protein identification and quantification using data-independent acquisition mass spectrometry, functional and taxonomic annotation, as well as quantitative matrix generation for both microbiota and hosts. By integrating FragPipe and DIA-NN, metaExpertPro offers compatibility with both Orbitrap and timsTOF MS instruments. To evaluate the depth and accuracy of identification and quantification, we conducted extensive assessments using human fecal samples and benchmark tests. Performance tests conducted on human fecal samples indicated that metaExpertPro quantified an average of 45,000 peptides in a 60-min diaPASEF injection. Notably, metaExpertPro outperformed three existing software tools by characterizing a higher number of peptides and proteins. Importantly, metaExpertPro maintained a low factual false discovery rate of approximately 5% for protein groups across four benchmark tests. Applying a filter of five peptides per genus, metaExpertPro achieved relatively high accuracy (F-score = 0.67-0.90) in genus diversity and showed a high correlation (r<sub>Spearman</sub> = 0.73-0.82) between the measured and true genus relative abundance in benchmark tests. Additionally, the quantitative results at the protein, taxonomy, and function levels exhibited high reproducibility and consistency across the commonly adopted public human gut microbial protein databases IGC and UHGP. In a metaproteomic analysis of dyslipidemia patients, metaExpertPro revealed characteristic alterations in microbial functions and potential interactions between the microbiota and the host. Metaproteomics ; Workflow ; Mass spectrometry ; Computer science ; Data mining ; Computational biology ; Information retrieval ; Chemistry ; Proteomics ; Chromatography ; Database ; Biology Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Mass Spectrometry Techniques and Applications
Authors: Kentaro Matsumoto | Nils Bäumer | Soichiro Ogi | Shigehiro Yamaguchi
Source: Angewandte Chemie International Edition (article, 2024-10-22)
Field: Materials Science — Biomaterials

Kinetic Control over Social and Narcissistic Self‐Sorting from Multicomponent Mixtures in Seed‐Initiated Supramolecular Polymerization by Fine‐Tuning of Steric Effects Supramolecular polymers offer an intriguing possibility to transfer molecular properties from the nano- to the mesoscale. Towards this achievement, seed-initiated supramolecular polymerization has emerged as a powerful tool, as it prevents unlimited growth and enables size control of the assembly outcome. However, the potential application of the seeding method in the context of complex supramolecular systems is hitherto unclear. Herein we demonstrate that minute differences in molecular design in direct proximity to intermolecular recognition sites govern the molecular packing and in turn dictate the efficacy of seeded polymerization processes. We introduce a stepwise increase in steric demand in the central amino acid residue of a diamide system, which gradually increases the rotational displacement within the aggregated state. This fine-tuning of the molecular packing directly affects the propensity of the different aggregates to act as seeds for the other supramolecular synthons. In turn this allows us to selectively target specific trapped monomer states in binary mixtures for social or narcissistic seeded polymerization. Supramolecular chemistry ; Steric effects ; Polymerization ; Intermolecular force ; Chemistry ; Monomer ; Supramolecular polymers ; Materials science ; Nanotechnology ; Polymer ; Organic chemistry ; Molecule Supramolecular Self-Assembly in Materials ; Supramolecular Chemistry and Complexes ; Polydiacetylene-based materials and applications
Authors: Yuhao Li | Junhao Xu | Tengbo Hu | Guangli Shi | Peng Yao | Feng Qiao | Lietao Zhang | Chuanyu Zhao | Ye Kuang | Longhai Shen
Source: Inorganic Chemistry (article, 2024-09-02)
Field: Materials Science — Materials Chemistry

Synthesis and Upconversion Luminescence Fine-tuning of Yb<sup>3+</sup>/Ho<sup>3+</sup>-Doped Indium and Gallium Oxide Nanoparticles Rare earth (RE) dopants can modulate the bandgap of oxides of indium and gallium and provide extra upconversion luminescence (UCL) abilities. However, relevant UCL fine-tuning strategies and energy mechanisms have been less studied. In this research, InGaO, Ho<sup>3+</sup> monodoped and Yb<sup>3+</sup>/Ho<sup>3+</sup> codoped In<sub>2</sub>O<sub>3</sub>, and Ho<sup>3+</sup> monodoped Yb<sub>3</sub>Ga<sub>5</sub>O<sub>12</sub> nanoparticles (NPs) were synthesized by a solvothermal method. The effects of Yb<sup>3+</sup> and Ho<sup>3+</sup> dopants on the crystal structures, UCL properties, and optical bandgaps of the oxides were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), UCL spectroscopy, and measurements of decay times, pump power dependence, and transmittance spectra. The crystal structures of oxide products of indium and gallium were significantly modified with RE dopants. In<sub>2</sub>O<sub>3</sub> and Yb<sub>3</sub>Ga<sub>5</sub>O<sub>12</sub> were selected as the host materials. For Yb<sup>3+</sup>/Ho<sup>3+</sup> codoped In<sub>2</sub>O<sub>3</sub> NPs, there existed energy transfers from the defect states of In<sub>2</sub>O<sub>3</sub> to Ho<sup>3+</sup> and from Yb<sup>3+</sup> to Ho<sup>3+</sup>. With a fixed Ho<sup>3+</sup> concentration, In<sub>2</sub>O<sub>3</sub>:0%Yb<sup>3+</sup>,2%Ho<sup>3+</sup> NPs showed the optimal UCL properties mainly due to In<sub>2</sub>O<sub>3</sub>-Ho<sup>3+</sup> energy transfer and Ho<sup>3+</sup>-Yb<sup>3+</sup> energy-back-transfer, while with a fixed Yb<sup>3+</sup> concentration, In<sub>2</sub>O<sub>3</sub>:5%Yb<sup>3+</sup>,3%Ho<sup>3+</sup> NPs with a slight Yb<sub>2</sub>O<sub>3</sub> impurity and Yb<sub>3</sub>Ga<sub>5</sub>O<sub>12</sub>:2%Ho<sup>3+</sup> NPs did mainly due to Ho<sup>3+</sup>-Ho<sup>3+</sup> cross-relaxation. Besides, the optical bandgaps of In<sub>2</sub>O<sub>3</sub> and Yb<sub>3</sub>Ga<sub>5</sub>O<sub>12</sub> were noticeably broadened with RE dopants. These findings can offer feasible directions for the synthesis and UCL fine-tuning of RE-doped oxides of indium and gallium and improve their multifunction application prospects in the fields of semiconductor and UCL nanomaterials. Chemistry ; Indium ; Gallium ; Luminescence ; Doping ; Nanoparticle ; Oxide ; Photon upconversion ; Inorganic chemistry ; Radiochemistry ; Nanotechnology ; Nuclear chemistry ; Optoelectronics ; Ion ; Organic chemistry ; Physics Luminescence Properties of Advanced Materials ; Ga2O3 and related materials ; Perovskite Materials and Applications
Authors: Weronika Forysiak | Agnieszka Lizak | Róża Szweda
Source: ChemPhysChem (article, 2024-05-16)
Field: Materials Science — Polymers and Plastics

Sequence of Monomers and Position of Stereocenters Matter for Thermal Properties of Stereocontrolled Oligourethanes Polyurethanes are commodity materials used for multiple applications. In recent years, a new category of polyurethane material has emerged, characterized by the lack of polymer molar mass dispersity, control of the monomer arrangement in the chain, and even full stereocontrol. Various multistep synthesis strategies have been developed to fabricate sequence-defined polyurethanes. However, synthesizing stereocontrolled polyurethanes with a controlled sequence is still a challenge. Polyurethanes with structural precision, as represented by biopolymers, i. e. proteins or nucleic acids, have opened new application directions for these groups of materials. It has been shown that polyurethanes can be used as biomimetics, information carriers, molecular tags, and materials with strictly controlled properties. Precise synthesis of macromolecules allows us to fine-tune the properties of polymers to specific needs. Therefore, it is essential to collect information on the sequence-structure relationship of polymers. In our work, we present synthetic pathways to make sequence and stereo-defined oligourethanes. We demonstrate that structural details, i. e., the monomer sequences and position of the stereocenter, have a tremendous effect on the thermal properties of model oligourethanes. We show that the introduction of chirality by constitutional isomerization can be used to program the thermal characteristics of polymers, which are key features for material applications. Stereocenter ; Sequence (biology) ; Monomer ; Chemistry ; Stereochemistry ; Position (finance) ; Organic chemistry ; Enantioselective synthesis ; Polymer ; Biochemistry Polymer composites and self-healing ; Advanced Polymer Synthesis and Characterization ; Advanced Theoretical and Applied Studies in Material Sciences and Geometry