jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hope Ameh | Lidia Badarnah | Jessica Lamond
Source: Sustainability (article, 2024-01-26)
Field: Materials Science — Surfaces, Coatings and Films

Amphibious Architecture: A Biomimetic Design Approach to Flood Resilience Amphibious buildings use the buoyancy principle in the design of their foundation systems to mitigate flood impact. In some cases, amphibious buildings are fitted with mechanical systems that further aid the buoyancy element to temporarily raise the building and guide its descent to natural ground level. These mechanical systems require external operation, preventing the amphibious building from passively responding during flood events as is one of the requirements of a robust flood mitigation measure. Additionally, buildings in flood environments are often left with stains on the exterior facade from floodwater contamination from sewage and chemicals, among others. This paper distinguishes three main components of an amphibious foundation: the buoyancy element, vertical guidance post, and structural sub-frame, and discusses their functionality. The natural world provides solutions to tackling environmental issues such as flooding. When systematically studied and transferred, nature can inspire innovative ideas for functional and sustainable designs for the built environments. Although there are many existing designs and a small number of constructed amphibious buildings, there are very few studies that discuss how the designs are derived, and even fewer on a framework emulating natural systems for transfer into amphibious building design. In that context, this research uses the biomimetic transfer process to abstract relevant biological systems, illustrating their potential for transfer into amphibious foundation design. The aim is to understand how these biological systems passively and continuously respond and adapt to their environment. Organisms such as the Venus flower basket, giant kelp, and red mangrove, among others, are discussed, to understand how they perform the identified functions. The steps of the biomimetic transfer process are used to integrate functions of amphibious buildings and processes of the studied biological systems. The final output of this paper is a discussion of the ways in which these derived relationships can be adopted in amphibious building design. Resilience (materials science) ; Architecture ; Flood myth ; Engineering ; Computer science ; Environmental resource management ; Systems engineering ; Architectural engineering ; Environmental science ; Civil engineering ; Geography ; Materials science Surface Modification and Superhydrophobicity ; Coastal wetland ecosystem dynamics ; Urban Stormwater Management Solutions
Authors: Timothy M. Locke | Rose Fields | Hayden Gizinski | George M. Otto | Melissa J. S. MacEwen | Domnița-Valeria Rusnac | Ping He | David M Shechner | Chris D McGann | Matthew D. Berg | Judit Villén | Yasemin Sancak | Devin K. Schweppe
Source: Cell Reports (article, 2024-10-18)
Field: Chemistry — Spectroscopy

High-throughput identification of calcium-regulated proteins across diverse proteomes Calcium ions play important roles in nearly every biological process, yet whole-proteome analysis of calcium effectors has been hindered by a lack of high-throughput, unbiased, and quantitative methods to identify protein-calcium engagement. To address this, we adapted protein thermostability assays in budding yeast, human cells, and mouse mitochondria. Based on calcium-dependent thermostability, we identified 2,884 putative calcium-regulated proteins across human, mouse, and yeast proteomes. These data revealed calcium engagement of signaling hubs and cellular processes, including metabolic enzymes and the spliceosome. Cross-species comparison of calcium-protein engagement and mutagenesis experiments identified residue-specific cation engagement, even within well-known EF-hand domains. Additionally, we found that the dienoyl-coenzyme A (CoA) reductase DECR1 binds calcium at physiologically relevant concentrations with substrate-specific affinity, suggesting direct calcium regulation of mitochondrial fatty acid oxidation. These discovery-based proteomic analyses of calcium effectors establish a key resource to dissect cation engagement and its mechanistic effects across multiple species and diverse biological processes. Proteome ; Identification (biology) ; Throughput ; Computational biology ; Calcium ; Proteomics ; Biology ; Calcium-binding protein ; Chemistry ; Bioinformatics ; Biochemistry ; Computer science ; Gene Advanced Proteomics Techniques and Applications ; Ubiquitin and proteasome pathways ; Mitochondrial Function and Pathology
Authors: Trenton M. Peters-Clarke | Yiran Liang | Keaton L. Mertz | Kenneth W. Lee | Michael S. Westphall | Joshua D. Hinkle | Graeme C. McAlister | John E. P. Syka | Ryan Kelly | Joshua J. Coon
Source: Journal of Proteome Research (article, 2024-05-07)
Field: Chemistry — Spectroscopy

Boosting the Sensitivity of Quantitative Single-Cell Proteomics with Infrared-Tandem Mass Tags Single-cell proteomics is a powerful approach to precisely profile protein landscapes within individual cells toward a comprehensive understanding of proteomic functions and tissue and cellular states. The inherent challenges associated with limited starting material demand heightened analytical sensitivity. Just as advances in sample preparation maximize the amount of material that makes it from the cell to the mass spectrometer, we strive to maximize the number of ions that make it from ion source to the detector. In isobaric tagging experiments, limited reporter ion generation limits quantitative accuracy and precision. The combination of infrared photoactivation and ion parking circumvents the <i>m</i>/<i>z</i> dependence inherent in HCD, maximizing reporter generation and avoiding unintended degradation of TMT reporter molecules in infrared-tandem mass tags (IR-TMT). The method was applied to single-cell human proteomes using 18-plex TMTpro, resulting in 4-5-fold increases in reporter signal compared to conventional SPS-MS<sup>3</sup> approaches. IR-TMT enables faster duty cycles, higher throughput, and increased peptide identification and quantification. Comparative experiments showcase 4-5-fold lower injection times for IR-TMT, providing superior sensitivity without compromising accuracy. In all, IR-TMT enhances the dynamic range of proteomic experiments and is compatible with gas-phase fractionation and real-time searching, promising increased gains in the study of cellular heterogeneity. Proteomics ; Tandem mass spectrometry ; Boosting (machine learning) ; Chemistry ; Tandem mass tag ; Tandem ; Quantitative proteomics ; Mass spectrometry ; Computational biology ; Chromatography ; Computer science ; Biology ; Biochemistry ; Materials science ; Artificial intelligence Advanced Proteomics Techniques and Applications ; Single-cell and spatial transcriptomics ; Mass Spectrometry Techniques and Applications
Authors: Yiqun Mo | Yue Zhang | Qunwei Zhang
Source: Environmental Science Nano (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

The pulmonary effects of nickel-containing nanoparticles: cytotoxicity, genotoxicity, carcinogenicity, and their underlying mechanisms With the exponential growth of the nanotechnology field, the global nanotechnology market is on an upward track with fast-growing jobs. Nickel (Ni)-containing nanoparticles (NPs), an important class of transition metal nanoparticles, have been extensively used in industrial and biomedical fields due to their unique nanostructural, physical, and chemical properties. Millions of people have been/are going to be exposed to Ni-containing NPs in occupational and non-occupational settings. Therefore, there are increasing concerns over the hazardous effects of Ni-containing NPs on health and the environment. The respiratory tract is a major portal of entry for Ni-containing NPs; thus, the adverse effects of Ni-containing NPs on the respiratory system, especially the lungs, have been a focus of scientific study. This review summarized previous studies, published before December 1, 2023, on cytotoxic, genotoxic, and carcinogenic effects of Ni-containing NPs on humans, lung cells <i>in vitro</i>, and rodent lungs <i>in vivo</i>, and the potential underlying mechanisms were also included. In addition, whether these adverse effects were induced by NPs themselves or Ni ions released from the NPs was also discussed. The extra-pulmonary effects of Ni-containing NPs were briefly mentioned. This review will provide us with a comprehensive view of the pulmonary effects of Ni-containing NPs and their underlying mechanisms, which will shed light on our future studies, including the urgency and necessity to produce engineering Ni-containing NPs with controlled and reduced toxicity, and also provide the scientific basis for developing nanoparticle exposure limits and policies. Genotoxicity ; Carcinogen ; Cytotoxicity ; In vivo ; Cytotoxic T cell ; In vitro ; Chemistry ; Lung ; Cancer research ; Pharmacology ; Toxicity ; Biology ; Medicine ; Biochemistry ; Genetics ; Internal medicine Nanoparticles: synthesis and applications ; Air Quality and Health Impacts ; Heavy Metal Exposure and Toxicity
Authors: Kas J. Houthuijs | Lara van Tetering | Jelle L. Schuurman | Christopher A. Wootton | Christoph Gebhardt | Mark E. Ridgeway | Giel Berden | Jonathan Martens | Jos Oomens
Source: International Journal of Mass Spectrometry (article, 2024-08-17)
Field: Chemistry — Spectroscopy

A trapped ion mobility enabled Fourier transform ion cyclotron resonance mass spectrometer for infrared ion spectroscopy at FELIX We report the installation of a new infrared ion spectroscopy platform at the free-electron laser facility FELIX, based on a Bruker SolariX Fourier Transform ion cyclotron resonance (FT-ICR) mass spectrometer equipped with a trapped ion mobility spectrometry (TIMS) stage. The instrument allows one to record infrared multiple-photon dissociation (IRMPD) spectra for mass and mobility selected ions, produced by a range of ion sources. We describe two strategies to achieve consistent overlap between the laser beam and the ion packet. Removing the original ECD cathode significantly enhanced the IR transmission and the overlap with the ion cloud, resulting in improved IRMPD yield per pulse. Enhancement of the photodissociation yield is observed when multiple pulses are used, as there is negligible collisional deactivation in the ultra-high vacuum trapping region of the ICR cell. We compare IRMPD spectra recorded on the new platform with IRMPD spectra of the same species recorded on one of our 3D-quadrupole ion trap platforms. We demonstrate the instrument’s performance using a sample containing a mixture of two trisaccharides. Mobility selection allows us to record individual IR spectra for the two isomeric species. This multi-modal platform, encompassing liquid chromatography, ion mobility spectrometry, ultra-high resolution (tandem) mass spectrometry, infrared ion spectroscopy (and soon also mass spectrometry imaging), is available to users at the FELIX facility. Fourier transform ion cyclotron resonance ; Chemistry ; Ion cyclotron resonance ; Ion ; Mass spectrometry ; Infrared ; Selected ion monitoring ; Fourier transform spectroscopy ; Cyclotron resonance ; Fourier transform infrared spectroscopy ; Infrared spectroscopy ; Fourier transform ; Cyclotron ; Analytical Chemistry (journal) ; Atomic physics ; Optics ; Physics Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Ion-surface interactions and analysis
Authors: Zixuan Ma | Yingjie Yang | Ziyu Song | Xiao‐Peng Mei | Xiaofeng Gao | Yongkang Huang | Zhiguo Zhang | Siyu Yao
Source: Fuel (article, 2024-08-23)
Field: Materials Science — Materials Chemistry

Fine-tuning Pt nanoparticle and coordination for enhanced catalytic efficiency in microwave-assisted methylcyclohexane dehydrogenation over Pt/Al2O3 catalysts Methylcyclohexane ; Dehydrogenation ; Catalysis ; Nanoparticle ; Microwave ; Materials science ; Chemical engineering ; Nanotechnology ; Chemistry ; Organic chemistry ; Computer science Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Ammonia Synthesis and Nitrogen Reduction
Authors: Mehrdad Jalali | Yi Luo | Lachlan Caulfield | Eric Sauter | Alexei Nefedov | Christof Wöll
Source: Materials Today Communications (article, 2024-07-09)
Field: Materials Science — Materials Chemistry

Large language models in electronic laboratory notebooks: Transforming materials science research workflows In recent years, there has been a surge in research efforts dedicated to harnessing the capabilities of Large Language Models (LLMs) in various domains, particularly in material science. This paper delves into the transformative role of LLMs within Electronic Laboratory Notebooks (ELNs) for scientific research. ELNs represent a pivotal technological advancement, providing a digital platform for researchers to record and manage their experiments, data, and findings. This study explores the potential of LLMs to revolutionize fundamental aspects of science, including experimental methodologies, data analysis, and knowledge extraction within the ELN framework. We present a demonstrative showcase of LLM applications in ELN environments and, furthermore, we conduct a series of empirical evaluations to critically assess the practical impact of LLMs in enhancing research processes within the dynamic field of materials science. Our findings illustrate how LLMs can significantly elevate the quality and efficiency of research outcomes in ELNs, thereby advancing knowledge and innovation in materials science research and beyond. Workflow ; Transformative learning ; Data science ; Field (mathematics) ; Computer science ; Quality (philosophy) ; Engineering ethics ; Nanotechnology ; Engineering ; Materials science ; Database ; Sociology Machine Learning in Materials Science ; Scientific Computing and Data Management ; Topic Modeling
Authors: Małgorzata Klamut | Izabela Zaborniak | Joanna Bałbustyn | Martyna Niemiec | Ewa Ciszkowicz | Paweł Błoniarz | Paweł Chmielarz
Source: Polymer (article, 2024-09-24)
Field: Chemistry — Organic Chemistry

Precise tailoring of thermoresponsive characteristics: Revealing ATRP opportunities for controlled poly(ethylene glycol)-based monomers composition in cyclodextrin-containing polymers Cyclodextrin ; Ethylene glycol ; Monomer ; Polymer ; Polymer chemistry ; Materials science ; Chemical engineering ; Composition (language) ; Polymer science ; Chemistry ; Organic chemistry ; Composite material Advanced Polymer Synthesis and Characterization ; Drug Solubulity and Delivery Systems ; Analytical Chemistry and Chromatography
Authors: Nirob K. Saha | William S. Salvia | Dominik Konkolewicz | C. Scott Hartley
Source: Angewandte Chemie International Edition (article, 2024-05-21)
Field: Chemistry — Organic Chemistry

Transient Covalent Polymers through Carbodiimide‐Driven Assembly Biochemical systems make use of out-of-equilibrium polymers generated under kinetic control. Inspired by these systems, many abiotic supramolecular polymers driven by chemical fuel reactions have been reported. Conversely, polymers based on transient covalent bonds have received little attention, even though they have the potential to complement supramolecular systems by generating transient structures based on stronger bonds and by offering a straightforward tuning of reaction kinetics. In this study, we show that simple aqueous dicarboxylic acids give poly(anhydrides) when treated with the carbodiimide EDC. Transient covalent polymers with molecular weights exceeding 15,000 are generated which then decompose over the course of hours to weeks. Disassembly kinetics can be controlled using simple substituent effects in the monomer design. The impact of solvent polarity, carbodiimide concentration, temperature, pyridine concentration, and monomer concentration on polymer properties and lifetimes has been investigated. The results reveal substantial control over polymer assembly and disassembly kinetics, highlighting the potential for fine-tuned kinetic control in nonequilibrium polymerization systems. Carbodiimide ; Covalent bond ; Polymer ; Transient (computer programming) ; Chemistry ; Materials science ; Polymer science ; Polymer chemistry ; Organic chemistry ; Computer science Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Covalent Organic Framework Applications
Authors: Zhuomin Chi | Yongchao Zhou | Bingbing Liu | Xiaojing Xu | Xue‐Yuan Liu | Yong‐Min Liang
Source: Chemical Science (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Nickel-catalyzed regiodivergent sulfonylarylation of 1,3-enynes to access allenes and dienes The radical-mediated difunctionalization of 1,3-enynes facilitates rapid access to structurally diverse allenes and dienes. Whereas, owing to the existence of multiple active sites in conjugated 1,3-enynes, regulating selectivity in difunctionalized addition <i>via</i> a single transition-metal-catalyzed radical tandem process remains elusive. Herein, we disclose an intriguing protocol of substrate-controlled nickel-catalyzed regiodivergent sulfonylarylation of 1,3-enynes with the assistance of sulfonyl chlorides and arylboronic acids. This valuable synthetic utility respectively delivers a series of highly functionalized and synthetically challenging allenyl sulfones and dienyl sulfones from fine-tuned 1,3-enynes by one step, which provides a facile approach for complex sulfone-containing drug molecules synthesis. Catalysis ; Nickel ; Chemistry ; Combinatorial chemistry ; Organic chemistry Sulfur-Based Synthesis Techniques ; Catalytic C–H Functionalization Methods ; Cyberloafing and Workplace Behavior
Authors: Yafeng Liu | Shan Ni | Yüe Zhao | Yao Wang | Wenjie Wang | Meng Rong | Huizhou Liu | Liangrong Yang
Source: Chemical Engineering Journal (article, 2024-10-10)
Field: Chemistry — Inorganic Chemistry

Synergistic modulation of interfacial and coordination microenvironment for highly efficient uranium extraction Uranium ; Extraction (chemistry) ; Modulation (music) ; Chemistry ; Materials science ; Chromatography ; Physics ; Metallurgy Radioactive element chemistry and processing ; Nuclear Materials and Properties ; Nuclear materials and radiation effects
Authors: Chiara Bisio | Jocelyne Brendlé | Sébastien Cahen | Yongjun Feng | Seong‐Ju Hwang | Morena Nocchetti | Dermot O’Hare | Pierre Rabu | Klára Melánová | Fabrice Leroux
Source: Dalton Transactions (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Recent advances and perspectives for intercalation layered compounds. Part 2: applications in the field of catalysis, environment and health Intercalation compounds represent a unique class of materials that can be anisotropic (1D and 2D-based topology) or isotropic (3D) through their guest/host superlattice repetitive organisation. Intercalation refers to the reversible introduction of guest species with variable natures into a crystalline host lattice. Different host lattice structures have been used for the preparation of intercalation compounds, and many examples are produced by exploiting the flexibility and the ability of 2D-based hosts to accommodate different guest species, ranging from ions to complex molecules. This reaction is then carried out to allow systematic control and fine tuning of the final properties of the derived compounds, thus allowing them to be used for various applications. This review mainly focuses on the recent applications of intercalation layered compounds (ILCs) based on layered clays, zirconium phosphates, layered double hydroxides and graphene as heterogeneous catalysts, for environmental and health purposes, aiming at collecting and discussing how intercalation processes can be exploited for the selected applications. Intercalation (chemistry) ; Materials science ; Lattice (music) ; Catalysis ; Nanotechnology ; Chemical physics ; Chemistry ; Inorganic chemistry ; Organic chemistry ; Physics Layered Double Hydroxides Synthesis and Applications ; Chemical Synthesis and Characterization ; Covalent Organic Framework Applications
Authors: Yasser A. Attia | Yasser MA Mohamed
Source: Journal of Chemical Technology & Biotechnology (article, 2024-07-26)
Field: Chemistry — Organic Chemistry

Microwave‐assisted synthesis of 1,4‐disubstituted 1,2,3‐triazole derivatives utilizing <scp>NiO</scp>/<scp>Cu<sub>2</sub>O</scp> nano‐photocatalyst Abstract BACKGROUND The main characteristic features of nickel–copper‐catalyzed azide–alkyne click (Ni‐CuAAC) reactions for production of 1,2,3‐triazoles are regioselectivity and the reaction proceeding under mild conditions. The use of copper salts as catalysts often leads to challenges like contamination of the prepared triazoles. NiO/Cu 2 O nanocomposites (NCs) were utilized in Ni‐CuAAC reactions as heterogeneous nanocatalysts to achieve the production of some 1,4‐disubstituted 1,2,3‐triazoles in high chemical yields under microwave irradiation. RESULTS The preparation of NiO/Cu 2 O NCs was performed through the coprecipitation of NiO nanoparticles on Cu 2 O surface. The prepared catalyst was used for catalyzing a reaction between benzoyl azides and phenylacetylene under optimized reaction conditions. The NiO/Cu 2 O NCs exhibited high catalytic activity compared to Cu 2 O nanoparticles. In addition, by utilizing ethanol–water as the solvent system under microwave irradiation, higher yields and efficient product separation were observed. CONCLUSION This study investigated the proficiency of NiO/Cu 2 O NCs as effective nanocatalysts for the selective synthesis of some 1,4‐disubstituted 1,2,3‐triazole derivatives. Employing heterogeneous nanoparticle catalysts, such as Cu 2 O and NiO/Cu 2 O, offers several advantages over homogeneous catalytic systems. These include easier catalyst separation and recovery, potential for catalyst reuse and the ability to fine‐tune the catalytic properties by modulating the nanoparticle composition and structure. © 2024 Society of Chemical Industry (SCI). Catalysis ; Nanomaterial-based catalyst ; Non-blocking I/O ; Click chemistry ; Chemistry ; Phenylacetylene ; Nanoparticle ; Copper ; Coprecipitation ; Nuclear chemistry ; Materials science ; Chemical engineering ; Combinatorial chemistry ; Inorganic chemistry ; Organic chemistry ; Nanotechnology Click Chemistry and Applications