jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: K Sarkar | Praveen Kumar
Source: Carbon (article, 2024-01-24)
Field: Materials Science — Materials Chemistry

Nanostructured carbon heterojunctions for broadband photodetection: Development roadmap, emerging technologies, and future perspectives Photodetection ; Heterojunction ; Broadband ; Nanotechnology ; Materials science ; Technology development ; Optoelectronics ; Engineering physics ; Engineering ; Telecommunications ; Photodetector Graphene research and applications ; Carbon and Quantum Dots Applications ; Ga2O3 and related materials
Authors: Patrick M. Hare
Source: Journal of Chemical Education (article, 2024-08-27)
Field: Materials Science — Materials Chemistry

Coding with AI in the Physical Chemistry Laboratory Experiments in the physical chemistry laboratory often require moderately complex fitting of data, but the software packages to do this can be expensive and challenging to use. Open-source programming platforms are a common replacement, but students frequently start their physical chemistry laboratory courses without a background in programming, requiring either giving detailed instructions and code to students or devoting significant class time to developing those skills. Large language model artificial intelligence systems (LLMs) are capable of generating, editing, and debugging code and are freely available. The use of LLMs to generate Python code to carry out several plotting and fitting exercises in a one-semester physical chemistry laboratory was studied. Students were able to successfully use the LLM to generate code which they then used to complete laboratory analysis tasks. This represents a possible mechanism for getting students quickly using code to complete data analysis and is an approach that they can freely apply in their future careers, regardless of what those are. Python (programming language) ; Debugging ; Computer science ; Programming language ; Coding (social sciences) ; Source code ; Code (set theory) ; Software ; Software engineering ; Class (philosophy) ; Mathematics education ; Artificial intelligence ; Psychology Machine Learning in Materials Science ; Online Learning and Analytics ; Topic Modeling
Authors: Abdulwahab Ismail Durojaiye | Samuel Tunde Olorunsogo | Bolanle Adenike Adejumo | Babawuya Alkali | Ida Idayu Muhamad
Source: Food and Humanity (article, 2024-07-26)
Field: Chemistry — Analytical Chemistry

Deep learning techniques for the exploration of hyperspectral imagery potentials in food and agricultural products Hyperspectral imaging ; Agriculture ; Artificial intelligence ; Computer science ; Deep learning ; Remote sensing ; Geography ; Archaeology Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Remote-Sensing Image Classification
Authors: Runzhe Liang | Siyuan Zheng | Kai Wang | Zhihong Yuan
Source: ACS electrochemistry. (article, 2024-11-20)
Field: Chemistry — Electrochemistry

Cost-Aware Bayesian Optimization for Self-Driven Condition Screening of Flow Electrosynthesis Flow electrosynthesis has attracted increasing attention as a green and sustainable manufacturing method. However, it is still a challenging undertaking to determine the appropriate experimental conditions for different electrosynthesis systems. As an AI-guided decision-making method, Bayesian optimization (BO) suffers a lot from neglecting the characteristics of chemical reactions and one-by-one low-speed screening processes when it is used to identify the optimal conditions. Herein, we design a cost-aware multi-objective Bayesian optimization framework to seek the highest current density for the electrosynthesis of tetrabenzylthiuram disulfide (TBzTD), while keeping the yield and Faraday efficiency at high levels. The optimization was finished within only 4 h including 11 experiments, and the optimized current density became 200% as high as the maximum of trial-and-error experiments, which efficiently reduced the experimental cost compared to the standard BO that requires a few days. The approach shows the possibility of utilizing the least experimental budgets for fully optimal condition screening, significantly reducing the burden on trial-and-error experimental expenses. Electrosynthesis ; Computer science ; Bayesian probability ; Artificial intelligence ; Chemistry Electrochemical Analysis and Applications ; Electrocatalysts for Energy Conversion ; Data Stream Mining Techniques
Authors: Sarah C. Rutan | Trevor Kempen | Tina A. Dahlseid | Zachary Kruger | Bob W.J. Pirok | Jonathan G. Shackman | Yiyang Zhou | Qinggang Wang | Dwight R. Stoll
Source: Journal of Chromatography A (article, 2024-06-29)
Field: Chemistry — Spectroscopy

Improved hydrophobic subtraction model of reversed-phase liquid chromatography selectivity based on a large dataset with a focus on isomer selectivity Chemistry ; Selectivity ; Chromatography ; Hydrophilic interaction chromatography ; Reversed-phase chromatography ; Focus (optics) ; High-performance liquid chromatography ; Phase (matter) ; Organic chemistry ; Catalysis Analytical Chemistry and Chromatography ; Chromatography in Natural Products ; Microfluidic and Capillary Electrophoresis Applications
Authors: Ke Xu | Robert Oestreich | Takin Haj Hassani Sohi | Mailis Lounasvuori | Jean G. A. Ruthes | Yunus Zorlu | Julia Michalski | Philipp Seiffert | Till Strothmann | Patrik Tholen | A. Özgür Yazaydın | Markus Suta | Volker Presser | Tristan Petit | Christoph Janiak | Jens Beckmann | Jörn Schmedt auf der Günne | Gündoğ Yücesan
Source: Nature Communications (article, 2024-09-09)
Field: Materials Science — Materials Chemistry

Polyphosphonate covalent organic frameworks Herein, we report polyphosphonate covalent organic frameworks (COFs) constructed via P-O-P linkages. The materials are synthesized via a single-step condensation reaction of the charge-assisted hydrogen-bonded organic framework, which is constructed from phenylphosphonic acid and 5,10,15,20-tetrakis[p-phenylphosphonic acid]porphyrin and is formed by simply heating its hydrogen-bonded precursor without using chemical reagents. Above 210 °C, it becomes an amorphous microporous polymeric structure due to the oligomerization of P-O-P bonds, which could be shown by constant-time solid-state double-quantum <sup>31</sup>P nuclear magnetic resonance experiments. The polyphosphonate COF exhibits good water and water vapor stability during the gas sorption measurements, and electrochemical stability in 0.5 M Na<sub>2</sub>SO<sub>4</sub> electrolyte in water. The reported family of COFs fills a significant gap in the literature by providing stable microporous COFs suitable for use in water and electrolytes. Additionally, we provide a sustainable synthesis route for the COF synthesis. The narrow pores of the COF effectively capture CO<sub>2</sub>. Microporous material ; Covalent organic framework ; Covalent bond ; Electrolyte ; Sorption ; Electrochemistry ; Hydrogen bond ; Materials science ; Chemical engineering ; Reagent ; Amorphous solid ; Chemistry ; Inorganic chemistry ; Organic chemistry ; Molecule ; Physical chemistry ; Electrode Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques
Authors: Christina Dinh | Muhammed Yusufoğlu | Kentaro Yumigeta | Amogh Kinikar | Thomas Sweepe | Z. Zeszut | Yao-Jen Chang | Christian Copic | Shelby Janssen | Richard H. Holloway | Julian Battaglia | Aldiyar Kuntubek | Farhan Zahin | Yuxuan Lin | William G. Vandenberghe | Brian J. LeRoy | Kläus Müllen | Román Fasel | Gabriela Borin Barin | Zafer Mutlu
Source: ACS Nano (article, 2024-08-15)
Field: Materials Science — Materials Chemistry

Atomically Precise Graphene Nanoribbon Transistors with Long-Term Stability and Reliability Atomically precise graphene nanoribbons (GNRs) synthesized from the bottom-up exhibit promising electronic properties for high-performance field-effect transistors (FETs). The feasibility of fabricating FETs with GNRs (GNRFETs) has been demonstrated, with ongoing efforts aimed at further improving their performance. However, their long-term stability and reliability remain unexplored, which is as important as their performance for practical applications. In this work, we fabricated short-channel FETs with nine-atom-wide armchair GNRs (9-AGNRFETs). We revealed that the on-state (<i>I</i><sub>ON</sub>) current performance of the 9-AGNRFETs deteriorates significantly over consecutive full transistor on and off logic cycles, which has neither been demonstrated nor previously considered. To address this issue, we deposited a thin ∼10 nm thick atomic layer deposition (ALD) layer of aluminum oxide (Al<sub>2</sub>O<sub>3</sub>) directly on these devices. The integrity, compatibility, electrical performance, stability, and reliability, of the GNRFETs before and/or after Al<sub>2</sub>O<sub>3</sub> deposition were comprehensively studied. The results indicate that the observed decline in electrical device performance is most likely due to the degradation of contact resistance over multiple measurement cycles. We successfully demonstrated that the devices with the Al<sub>2</sub>O<sub>3</sub> layer operate well up to several thousand continuous full cycles without any degradation. Our study offers valuable insights into the stability and reliability of GNR transistors, which could facilitate their large-scale integration into practical applications. Graphene ; Materials science ; Reliability (semiconductor) ; Transistor ; Nanotechnology ; Term (time) ; Stability (learning theory) ; Engineering physics ; Optoelectronics ; Physics ; Computer science ; Thermodynamics ; Quantum mechanics ; Voltage Graphene research and applications ; 2D Materials and Applications ; Molecular Junctions and Nanostructures
Authors: Shujahadeen B. Aziz | M. H. Hamsan | Rebar T. Abdulwahid | Norhana Abdul Halim | Jamal Hassan | Ahmed Fattah Abdulrahman | Sameerah I. Al‐Saeedi | Jihad M. Hadi | M. F. Z. Kadir | Samir M. Hamad | Salah Raza Saeed
Source: Green Processing and Synthesis (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Green polymer electrolyte and activated charcoal-based supercapacitor for energy harvesting application: Electrochemical characteristics Abstract The aim of this study is to address the growing concern about microplastics in the ocean and their potential harm to human health through ingestion. The MPs issue is largely a result of the increasing demand for electronic devices and their components. To tackle this challenge, the research aimed to develop a green polymer electrolyte that used glycerol as a plasticizing agent to improve ionic conductivity. The polymer host included chitosan and polyvinyl alcohol and was composed of sodium acetate. To evaluate the performance of the polymer electrolyte, various analytical techniques were used, including impedance and electrochemical studies. The ionic conductivity of 7.56 × 10 −5 S·cm −1 was recorded. The dielectric property study confirmed the ionic conduction process in the system and revealed the existence of non-Debye type relaxation, as indicated by asymmetric peaks of tan δ spectra. The alternating conductivity exhibits three distinguished regions. The polymer electrolyte was discovered to be electrochemically stable up to 2.33 V and capable of storing energy as a non-Faradaic electrochemical double-layer capacitor (EDLC). The cyclic voltammetry pattern is a leaf like shape. The EDLC was able to be charged and discharged up to 1 V, and it showed cyclability and could be used in low-voltage applications. Electrolyte ; Materials science ; Cyclic voltammetry ; Chemical engineering ; Ionic conductivity ; Supercapacitor ; Polymer ; Conductive polymer ; Electrochemistry ; Electrode ; Composite material ; Chemistry Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Supercapacitor Materials and Fabrication
Authors: Zhenyu Shi | Yuxuan Wu | Xinyang Ruan | Wei Zhai | Zijian Li | Li Zhai | An Zhang | Hua Zhang
Source: National Science Review (article, 2024-08-13)
Field: Materials Science — Materials Chemistry

Perspectives on phase engineering of nanomaterials This perspective highlights the representative progress of phase engineering of nanomaterials (PEN) with an emphasis on noble metals and transition metal dichalcogenides, and proposes future directions in this emerging field. Nanomaterials ; Perspective (graphical) ; Nanotechnology ; Phase (matter) ; Field (mathematics) ; Engineering ethics ; Materials science ; Engineering physics ; Engineering ; Computer science ; Physics 2D Materials and Applications ; Quantum Dots Synthesis And Properties ; Nanocluster Synthesis and Applications
Authors: Steven W. M. Crossley | Logan Tenney | Vanha N. Pham | Xiao Xie | Michelle Zhao | Christopher J. Chang
Source: Journal of the American Chemical Society (article, 2024-03-12)
Field: Chemistry — Inorganic Chemistry

A Transfer Hydrogenation Approach to Activity-Based Sensing of Formate in Living Cells Formate is a major reactive carbon species in one-carbon metabolism, where it serves as an endogenous precursor for amino acid and nucleic acid biosynthesis and a cellular source of NAD(P)H. On the other hand, aberrant elevations in cellular formate are connected to progression of serious diseases, including cancer and Alzheimer's disease. Traditional methods for formate detection in biological environments often rely on sample destruction or extensive processing, resulting in a loss of spatiotemporal information. To help address these limitations, here we present the design, synthesis, and biological evaluation of a first-generation activity-based sensing system for live-cell formate imaging that relies on iridium-mediated transfer hydrogenation chemistry. Formate facilitates an aldehyde-to-alcohol conversion on various fluorophore scaffolds to enable fluorescence detection of this one-carbon unit, including through a two-color ratiometric response with internal calibration. The resulting two-component probe system can detect changes in formate levels in living cells with a high selectivity over potentially competing biological analytes. Moreover, this activity-based sensing system can visualize changes in endogenous formate fluxes through alterations of one-carbon pathways in cell-based models of human colon cancer, presaging the potential utility of this chemical approach to probe the continuum between one-carbon metabolism and signaling in cancer and other diseases. Chemistry ; Formate ; Fluorophore ; Endogeny ; Combinatorial chemistry ; Methyl formate ; Biochemistry ; Cancer cell ; Fluorescence ; Cancer ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Amino Acid Enzymes and Metabolism ; Chemical Synthesis and Analysis
Authors: Xinye Sun | Yanzhe Shang | Binghao Zhang | Pengye Guo | Yuanchan Luo | Hui Wu
Source: Bioresources and Bioprocessing (article, 2024-09-09)
Field: Materials Science — Biomaterials

Engineering of fast-growing Vibrio natriegens for biosynthesis of poly(3-hydroxybutyrate-co-lactate) Poly(3-hydroxybutyrate-co-lactate) [P(3HB-co-LA)] is a highly promising valuable biodegradable material with good biocompatibility and degradability. Vibrio natriegens, owing to its fast-growth, wide substrate spectrum characteristics, was selected to produce P(3HB-co-LA). Herein, the crucial role of acetyltransferase PN96-18060 for PHB synthesis in V. natriegens was identified. Heterologous pathway of P(3HB-co-LA) was introduced into V. natriegens successfully, in addition, overexpression of the dldh gene led to 1.84 fold enhancement of the lactate content in P(3HB-co-LA). Finally, the production of P(3HB-co-LA) was characterized under different carbon sources. The lactate fraction in P(3HB-co-LA) was increased to 28.3 mol% by the modification, about 1.84 times of that of the control. This is the first successful case of producing the P(3HB-co-LA) in V. natriegens. Collectively, this study showed that V. natriegens is an attractive host organism for producing P(3HB-co-LA) and has great potential to produce other co-polymers. Biocompatibility ; Heterologous ; Substrate (aquarium) ; Biosynthesis ; Chemistry ; Industrial and production engineering ; Bacteria ; Biochemistry ; Biology ; Enzyme ; Gene ; Organic chemistry biodegradable polymer synthesis and properties ; Microbial Metabolic Engineering and Bioproduction ; Microplastics and Plastic Pollution
Authors: Zhaojian Liang | Jingyi Wang | Keda Ren | Zhenjun Jiao | Meng Ni | Liang An | Yang Wang | Jinbin Yang | Mengying Li
Source: Nature Communications (article, 2024-05-30)
Field: Materials Science — Materials Chemistry

Discovering two general characteristic times of transient responses in solid oxide cells A comprehensive understanding of the transient characteristics in solid oxide cells (SOCs) is crucial for advancing SOC technology in renewable energy storage and conversion. However, general formulas describing the relationship between SOC transients and multiple parameters remain elusive. Through comprehensive numerical analysis, we find that the thermal and gaseous response times of SOCs upon rapid electrical variations are on the order of two characteristic times (τ<sub>h</sub> and τ<sub>m</sub>), respectively. The gaseous response time is approximately 1τ<sub>m</sub>, and the thermal response time aligns with roughly 2τ<sub>h</sub>. These characteristic times represent the overall heat and mass transfer rates within the cell, and their mathematical relationships with various SOC design and operating parameters are revealed. Validation of τ<sub>h</sub> and τ<sub>m</sub> is achieved through comparison with an in-house experiment and existing literature data, achieving the same order of magnitude for a wide range of electrochemical cells, showcasing their potential use for characterizing transient behaviors in a wide range of electrochemical cells. Moreover, two examples are presented to demonstrate how these characteristic times can streamline SOC design and control without the need for complex numerical simulations, thus offering valuable insights and tools for enhancing the efficiency and durability of electrochemical cells. Transient (computer programming) ; Oxide ; Computer science ; Materials science Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials
Authors: Keisuke Oshimi | Hitoshi Ishiwata | Hiromu Nakashima | Sara Mandić | Hina Kobayashi | Minori Teramoto | Hirokazu Tsuji | Yoshiki Nishibayashi | Yutaka Shikano | Toshu An | Masazumi Fujiwara
Source: ACS Nano (article, 2024-12-16)
Field: Materials Science — Materials Chemistry

Bright Quantum-Grade Fluorescent Nanodiamonds Optically accessible spin-active nanomaterials are promising as quantum nanosensors for probing biological samples. However, achieving bioimaging-level brightness and high-quality spin properties for these materials is challenging and hinders their application in quantum biosensing. Here, we demonstrate bright fluorescent nanodiamonds (NDs) containing 0.6-1.3-ppm negatively charged nitrogen-vacancy (NV) centers by spin-environment engineering via enriching spin-less <sup>12</sup>C-carbon isotopes and reducing substitutional nitrogen spin impurities. The NDs, readily introduced into cultured cells, exhibited improved optically detected magnetic resonance (ODMR) spectra; peak splitting (<i>E</i>) was reduced by 2-3 MHz, and microwave excitation power required was 20 times lower to achieve a 3% ODMR contrast, comparable to that of conventional type-Ib NDs. They show average spin-relaxation times of <i>T</i><sub>1</sub> = 0.68 ms and <i>T</i><sub>2</sub> = 3.2 μs (1.6 ms and 5.4 μs maximum) that were 5- and 11-fold longer than those of type-Ib, respectively. Additionally, the extended <i>T</i><sub>2</sub> relaxation times of these NDs enable shot-noise-limited temperature measurements with a sensitivity of approximately <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>0.28</mml:mn><mml:mspace></mml:mspace><mml:mi>K</mml:mi><mml:mo>/</mml:mo><mml:msqrt><mml:mi>Hz</mml:mi></mml:msqrt></mml:math>. The combination of bulk-like NV spin properties and enhanced fluorescence significantly improves the sensitivity of ND-based quantum sensors for biological applications. Fluorescence ; Nanotechnology ; Materials science ; Quantum ; Optoelectronics ; Physics ; Optics ; Quantum mechanics Diamond and Carbon-based Materials Research ; Carbon Nanotubes in Composites ; Fullerene Chemistry and Applications
Authors: Marlon L. Mopon | J.M.C. Mol | Santiago J. García
Source: Corrosion Science (article, 2024-02-10)
Field: Materials Science — Materials Chemistry

Effect of delayed inhibitor supply on AA2024-T3 intermetallic activity: A local in situ analysis with reflected microscopy Understanding how late an inhibitor can be released once corrosion initiated without compromising corrosion protection may help in developing more efficient anticorrosion coatings. We explored this idea through time-controlled Ce(NO3)3 availability to AA2024-T3 immersed in 0.05 M NaCl. Ce(NO3)3 was supplied at 0, 30, 60, and 180 s from the start of immersion to get a concentration of 0.001 M. Detailed visualization of surface changes at the intermetallic particle level was obtained using in-situ reflected microscopy. SEM-EDX and confocal laser microscopy confirmed the extent of intermetallic degradation and local inhibitor deposition corresponding to operando changes. When the inhibitor is supplied within 60 s of immersion, the surface changes slowdown earlier and are visually less extensive than in uninhibited systems. Furthermore, our results highlight the potential of reflected microscopy for local corrosion inhibition studies and underscore the importance of understanding the interaction between inhibitor release timing and corrosion protection. Intermetallic ; Corrosion ; Materials science ; Microscopy ; In situ ; Metallurgy ; Corrosion inhibitor ; Kelvin probe force microscope ; Optical microscope ; Confocal laser scanning microscopy ; Scanning electron microscope ; Chemical engineering ; Atomic force microscopy ; Chemistry ; Composite material ; Alloy ; Nanotechnology ; Optics ; Biophysics Corrosion Behavior and Inhibition ; Anodic Oxide Films and Nanostructures ; Hydrogen embrittlement and corrosion behaviors in metals