jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Loris Ercole | Riccardo Bertossa | Sebastiano Bisacchi | Stefano Baroni
Source: Computer Physics Communications (preprint, 2022-07-26)
Field: Chemistry — Electrochemistry

SporTran: A code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series Python (programming language) ; Univariate ; Computer science ; Graphical user interface ; Multivariate statistics ; Series (stratigraphy) ; Workflow ; Algorithm ; Data mining ; Programming language ; Machine learning ; Database Electrochemical Analysis and Applications ; Spectroscopy and Quantum Chemical Studies ; Protein Structure and Dynamics
Authors: Alexis S. Hill
Source: Journal of Undergraduate Neuroscience Education (article, 2022-10-01)
Field: Chemistry — Physical and Theoretical Chemistry

Digital Timeline Assignment of Key Opioid Research Articles Spanning Five Decades Learning to read scientific literature is a crucial component of an undergraduate science education. Undergraduate science students learn to analyze data, read primary literature, and integrate knowledge across articles into a cohesive understanding of a field of study. Often, a class includes students with varying experience reading primary literature, making it difficult to develop assignments that are adequately approachable yet challenging for every student. Here I describe a three-part assignment for an intermediate level neurobiology course that seeks to address this concern. Each student was first assigned a single article in the field of opioid research, which they summarized in an entry for a digital timeline. Second, students presented their timeline entries to the class, and the compiled digital timeline was made publicly available online. In the third part of the assignment, students wrote a brief perspective paper. Here, students explained how their assigned article fit into the field of study using their classmates' timeline entries, along with the option to include additional references outside of the timeline. This three-part assignment sought to provide a supportive yet challenging project for students at all levels. The project was designed as a non-disposable assignment, aligned with additional learning goals and pedagogical practices, including interdisciplinary awareness, writing-to-learn, and inclusive pedagogy. Versions of this assignment have been used for both in-person and remote instruction. Timeline ; Key (lock) ; Computer science ; Geography ; Computer security Various Chemistry Research Topics ; Innovative Teaching Methods ; Science Education and Pedagogy
Authors: O.S.I. Fayomi | Biola Mathew Biodun | Joshua Olusegun Okeniyi
Source: Key engineering materials (review, 2022-12-14)
Field: Materials Science — Materials Chemistry

Metallic Oxide Nanoparticle from Agricultural Waste: A Review on Composition and Application The rapid advancement in the extraction method of metallic oxide nanoparticles from agricultural waste has led to the significant use of agriculture waste in the nanotechnology industry because the use of chemical procedures in the production of metallic oxide nanoparticles produces hazardous toxic compounds that are dangerous to the ecosystem. In particular, this article examines the creation of silicon dioxide (silica) nanoparticles from agricultural waste. Environmental cleanup and wastewater purification are only two examples of the many areas where sand-sized silica particles (SNPs) have shown promising results. rural, agricultural, etc. The lack of toxicity of these particles has been demonstrated, making them an excellent tool for biomedical study. Additionally, because of the particles' ability to mobilize molecules onto their interior and external surfaces, they constitute good transporters for both biotic and non-biotic substances. In this regard, the current paper provides a thorough assessment of the sources of agricultural waste used in producing silica nanoparticles as well as the processes used to create it. The report also examines SNPs' most recent applications in a number of fields and discusses the technology's potential for the future. Keywords: Fuel additives ; ethanol ; brake power ; Internal combustion engine ; fuel Hazardous waste ; Agricultural waste ; Biomass (ecology) ; Waste management ; Agriculture ; Nanoparticle ; Wastewater ; Silicon dioxide ; Materials science ; Oxide ; Environmental science ; Nanotechnology ; Environmental engineering ; Metallurgy ; Engineering Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; TiO2 Photocatalysis and Solar Cells
Authors: Syahrial Ayub | Agustina Agustina | Muh Makhrus
Source: AMPLITUDO Journal of Science & Technology Innovation (article, 2022-08-31)
Field: Chemistry — Inorganic Chemistry

Analysis of Project Activities for Strengthening Pancasila Student Profiles (P5) through the Manufacturing of VCO Products This study aims to analyze the stages of making Virgin Coconut Oil (VCO) at SMAN 1 Sekotong, West Lombok, NTB Indonesia. Making Virgin Coconut Oil (VCO) products is one of the Projects to Strengthen Pancasila Student Profiles (P5) in the independent curriculum. The research objectives were achieved with qualitative descriptive methods and what was found during the research. Data was collected by observation, interviews with teachers directly involved in this project. The results of the analysis show the stages of making Virgin Coconut Oil (VCO) starting from selecting good coconuts, making coconut milk, separating the first coconut milk, and separating the second coconut milk and finally getting Virgin Coconot Oil (VCO). Coconut oil ; Voltage-controlled oscillator ; Agricultural science ; Business ; Food science ; Engineering ; Environmental science ; Chemistry Coconut Research and Applications
Authors: V. A. Rudenko | N. F. Privalova
Source: Global Nuclear Safety (article, 2022-03-16)
Field: Materials Science — Materials Chemistry

Independent Assessment of Future Nuclear Power Specialist Qualifications as a Factor of Nuclear Power Plant Safety The paper considers the sectoral system of professional qualifications assessment in the field of nuclear energy, its structural components, and reveals the main tasks and activities for its improvement and development. The relevance of independent assessment of qualifications of future engineering personnel specialized in nuclear power industry at the stage of completion of higher education is disclosed. Nuclear power plant ; Nuclear power ; Nuclear engineering ; Engineering ; Nuclear physics ; Physics Graphite, nuclear technology, radiation studies ; Nuclear Issues and Defense
Authors: Lucian Farcal | Amalia Munoz Pineiro | Juan Riego Sintes | Hubert Rauscher | Kirsten Rasmussen
Source: F1000Research (preprint, 2022-12-19)
Field: Materials Science — Materials Chemistry

Advanced materials foresight: research and innovation indicators related to advanced and smart nanomaterials <b>Background:</b> Advanced materials are most likely to bring future economic, environmental and social benefits. At the same time, they may pose challenges regarding their safety and sustainability along the entire lifecycle. This needs to be timely addressed by the stakeholders (industry, research, policy, funding and regulatory bodies). As part of a larger foresight project, this study aimed to identify areas of scientific research and technological development related to advanced materials, in particular advanced nanomaterials and the sub-group of smart nanomaterials. The study identified and collected data to build relevant research and innovation indicators and analyse trends, impact and other implications. <b>Methods:</b> This study consisted of an iterative process including a documentation phase followed by the identification, description and development of a set of core research and innovation indicators regarding scientific publications, EU projects and patents. The data was extracted mainly from SCOPUS, CORDIS and PATSTAT databases using a predefined search string that included representative keywords. The trends, distributions and other aspects reflected in the final version of the indicators were analysed, e.g. the number of items in a period of time, geographical distribution, organisations involved, categories of journals, funding programmes, costs and technology areas. <b>Results:</b> Generally, for smart nanomaterials the data used represent around 3.5% of the advanced nanomaterials data, while for each field analysed, they represent 4.4% for publications, 13% for projects and 1.1% for patents. The study shows current trends for advanced nanomaterials at a top-level information that can be further extended with sub-indicators. Generally, the results indicated a significant growth in research into advanced nanomaterials, including smart nanomaterials, in the last decade, leading to an increased availability of information. <b>Conclusion:</b> These indicators identify trends regarding scientific and technological achievements and represent an important element when examining possible impacts on society and policy implications associated to these areas. Futures studies ; Documentation ; Scopus ; Sustainability ; Business ; Data science ; Knowledge management ; Engineering ; Computer science ; Political science ; MEDLINE ; Ecology Nanoparticles: synthesis and applications
Authors: César Cáceres | Macarena del Pilar Garcia Morgado | Freddy Célis | Sergey A. Piletsky | Ewa Moczko
Source: Polymers (article, 2022-12-11)
Field: Chemistry — Analytical Chemistry

Rapid Selective Detection and Quantification of β-Blockers Used in Doping Based on Molecularly Imprinted Nanoparticles (NanoMIPs) Human performance enhancing drugs (PEDs), frequently used in sport competitions, are strictly prohibited by the World Anti-Doping Agency (WADA). Biological samples collected from athletes and regular patients are continuously tested regarding the identification and/or quantification of the banned substances. Current work is focused on the application of a new analytical method, molecularly imprinted nanoparticles (nanoMIPs), to detect and determine concentrations of certain prohibited drugs, such as β-blockers, in water and human urine samples. These medications are used in the treatment of cardiovascular conditions, negative effects of adrenaline (helping to relief stress), and hypertension (slowing down the pulse and softening the arteries). They can also significantly increase muscle relaxation and improve heart efficiency. The new method of the detection and quantification of β-blockers is based on synthesis, characterization, and implementation of nanoMIPs (so-called plastic antibodies). It offers numerous advantages over the traditional methods, including high binding capacity, affinity, and selectivity for target molecules. Additionally, the whole process is less complicated, cheaper, and better controlled. The size and shape of the nanoMIPs is evaluated by dynamic light scattering (DLS) and transmission electron microscope (TEM). The affinity and selectivity of the nanoparticles are investigated by competitive pseudo enzyme-linked immunosorbent assay (pseudo-ELISA) similar to common immunoassays employing natural antibodies. To provide reliable results towards either doping detection or therapeutic monitoring using the minimal invasive method, the qualitative and quantitative analysis of these drugs is performed in water and human urine samples. It is demonstrated that the assay can detect β-blockers in water within the linear range 1 nmol·L<sup>-1</sup>-1 mmol·L<sup>-1</sup> for atenolol with the detection limit 50.6 ng mL<sup>-1</sup>, and the linear range 1 mmol·L<sup>-1</sup>-10 mmol·L<sup>-1</sup> for labetalol with the detection limit of 90.5 ng·mL<sup>-1</sup>. In human urine samples, the linear range is recorded in the concentration range 0.1 mmol·L<sup>-1</sup>-10 nmol·L<sup>-1</sup> for atenolol and 1 mmol·L<sup>-1</sup>-10 nmol·L<sup>-1</sup> for labetalol with a detection limit of 61.0 ng·mL-1 for atenolol and 99.4 ng·mL<sup>-1</sup> for labetalol. Molecularly imprinted polymer ; Nanoparticle ; Materials science ; Molecular imprinting ; Nanotechnology ; Chemistry ; Selectivity ; Organic chemistry ; Catalysis Analytical chemistry methods development ; Pharmacological Effects and Assays ; Mass Spectrometry Techniques and Applications
Authors: Yi Ru | Geoffrey I. N. Waterhouse | Siyu Lu
Source:  (preprint, 2022-10-18)
Field: Materials Science — Materials Chemistry

Aggregation in carbon dots Carbon dots (CDs) possess outstanding luminescence properties, leading to their use in a wide range of applications including optical displays, anti-counterfeiting systems, bioimaging and sensors. Presently, there is much debate about the classification of CDs, as well as their formation process, structure and fluorescence mechanisms. Aggregation plays an important role in both the formation of CDs and their fluorescence (e.g. aggregation-induced emission), yet is seldom studied in detail. This review aims fill this knowledge gap, by firstly exploring how aggregation leads to the formation of different types of CDs (e.g. graphene quantum dots, carbon quantum dots, and carbonized polymer dots), followed by a detailed examination of the effect of aggregation-induced morphology on the luminescence properties and application of CDs. Finally, opportunities and challenges for the application of CDs in various applications are discussed, with the need for better mechanistic understanding of aggregation-induced luminescence being an imperative. Quantum dot ; Luminescence ; Nanotechnology ; Fluorescence ; Carbonization ; Carbon fibers ; Materials science ; Aggregation-induced emission ; Graphene ; Polymer ; Optoelectronics ; Physics ; Optics Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Mercury impact and mitigation studies
Authors: Yoichi Ogata
Source:  (preprint, 2022-07-01)
Field: Materials Science — Surfaces, Coatings and Films

Drive Type Virtual Reality - Head Mounted Display I realized the high-power drive type of emission beam generated at the surface by using the excitation of the guided mode in a TiO 2 slanted nanograting layer. In the TiO 2 layer, the beam is waveguided along the short axis direction of the grating at a specific injection angle Θ. On the surface of the layer, a beam consisting of leakage generated during the waveguide is emitted. The emitted beam would have a high optical intensity compared with the general emission. Furthermore, it would generate an afterimage for the waveguide direction. In this work, I performed angle-resolved measurements to obtain two effects, namely intensity maintain and after(-driving) imaging. Subsequently, I identified an appropriate resonance condition for the above radiation on the 1D waveguide on the surface. Thereby, the resonance peak for the waveguide with Θ FWHM =10.0° at Θ = 10° was verified in the measurement. This grating sample is likely to be effective as a novel coupler on a binocular Virtual Reality – Head Mounted Display (VR-HMD). Grating ; Optics ; Materials science ; Waveguide ; Full width at half maximum ; Beam (structure) ; Excitation ; Optoelectronics ; Physics Optical Coatings and Gratings ; Photonic and Optical Devices ; Photorefractive and Nonlinear Optics
Authors: Bartosz Gabryelczyk | Fred‐Eric Sammalisto | Julie‐Anne Gandier | Jianhui Feng | Grégory Beaune | Jaakko V. I. Timonen | Markus B. Linder
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2022-09-15)
Field: Materials Science — Biomaterials

Recombinant protein condensation inside E. coli enables the development of building blocks for bioinspired materials engineering – biomimetic spider silk protein as a case study Abstract Recombinant expression of proteins destined to form biological materials often results in poor production yields or loss of their function due to premature aggregation. Recently, liquid-liquid phase separation has been proposed as a mechanism to control protein solubility during expression and accumulation in the cytoplasm. Here, we investigate this process in vivo during the recombinant overexpression of the spider silk-mimetic mini-spidroin NT2RepCT in Escherichia coli . The protein forms intracellular liquid-like condensates that shift to a solid-like state triggered by a decrease in their microenvironmental pH. These features are also maintained in the purified sample in vitro both in the presence of a molecular crowding agent mimicking the bacterial intracellular environment, and during a biomimetic extrusion process leading to fiber formation. Overall, we demonstrate that characterization of protein condensates inside E. coli could be used as a basis for selecting proteins for both materials applications and their fundamental structure-function studies. Spider silk ; Recombinant DNA ; SILK ; Intracellular ; Biophysics ; Chemistry ; Cytoplasm ; Escherichia coli ; Function (biology) ; Materials science ; Nanotechnology ; Cell biology ; Biochemistry ; Biology Silk-based biomaterials and applications ; RNA Research and Splicing ; RNA Interference and Gene Delivery
Authors: T. Manikya Sastry | K. Ramakrishna
Source: Brazilian Journal of Pharmaceutical Sciences (article, 2022-01-01)
Field: Chemistry — Analytical Chemistry

Determination of perindopril erbumine by oxidative coupling reaction using 2, 6-dichloroquinone-4-chlorimide Perindopril erbumine (Perindopril tert-butylamine salt) is a potent angiotensin-converting enzyme (ACE) inhibitor. It is used to treat the patients with hypertension and heart failure problems. A sensitive, inexpensive and precise analytical technique has been developed for the estimation of perindopril in bulk and formulations. The procedure involves the development of colour by forming an oxidative coupling reaction between drug (PPE) and reagent such as 2, 6-dichloroquinone-4-chlorimide (DCQC). The formed colored species were measured at (max=520 nm. The developed method showed linearity within the concentration limits of 25-75 μg mL-1. The linear correlation coefficient (r) and molar absorptivity were found to be 0.9999 and 3.285 x 103 mol-1cm-1. % Recovery ± SD values were in the range of 99.69 - 100.51 (+ 0.42 - ( 0.41) (n=3) which indicates the accuracy of the developed method. The interference of other excipients that are commonly present in formulations is found to be negligible. Precision and accuracy of the proposed method were confirmed by student t-test and F-tests at 95% confidence limits with (n-1) degrees of freedom. The validity parameters of proposed method were calculated by ICH guidelines. Perindopril ; Reagent ; Chemistry ; Correlation coefficient ; Detection limit ; Molar absorptivity ; Chromatography ; Oxidative coupling of methane ; Analytical Chemistry (journal) ; Mathematics ; Medicine ; Internal medicine ; Biochemistry ; Organic chemistry Analytical Methods in Pharmaceuticals ; Antibiotics Pharmacokinetics and Efficacy ; Analytical Chemistry and Chromatography
Authors: Konstantinos Kalogeropoulos | Simonas Savickas | Aleksander M. Haack | Cathrine Agnete Larsen | Jacek Mikosiński | Erwin M. Schoof | Hans Smola | Louise Bundgaard | Ulrich auf dem Keller
Source: Molecular & Cellular Proteomics (article, 2022-05-01)
Field: Chemistry — Spectroscopy

High-throughput and high-sensitivity biomarker monitoring in body fluid by FAIMS-enhanced fast LC SureQuant™ IS targeted quantitation Targeted proteomics methods have been greatly improved and refined over the last decade and are becoming increasingly the method of choice in protein and peptide quantitative assays. Despite the tremendous progress, targeted proteomics assays still suffer from inadequate sensitivity for lower abundant proteins and throughput, especially in complex biological samples. These attributes are essential for establishing targeted proteomics methods at the forefront of clinical use. Here, we report an assay utilizing the SureQuantTM internal standard triggered targeted method on a newest generation mass spectrometer coupled with a FAIMS (high-field asymmetric waveform ion mobility spectrometry) interface ion mobility device and an EvoSep One liquid chromatography platform, which displays markedly enhanced sensitivity and a high throughput of 100 samples per day. We demonstrate the robustness of this method by quantifying proteins ranging six orders of magnitude in human wound fluid exudates, a biological fluid that exhibits sample complexity and composition similar to plasma. Among the targets quantified were low-abundance proteins such at TNFA and IL1B, highlighting the value of this method in the quantification of trace amounts of invaluable biomarkers that were until recently hardly accessible by targeted proteomics methods. Taken together, this method extends the toolkit of targeted proteomics assays and will help to drive forward mass spectrometry-based proteomics biomarker quantification. Proteomics ; Biomarker discovery ; Mass spectrometry ; Quantitative proteomics ; Ion-mobility spectrometry ; Biomarker ; Chemistry ; Computational biology ; Biological fluids ; Chromatography ; Bioinformatics ; Biology ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Gefei Niu | Jianchen Lu | Jianqun Geng | Shicheng Li | Hui Zhang | Wei Xiong | Zilin Ruan | Yong Zhang | Boyu Fu | Lei Gao | Jinming Cai
Source: arXiv (Cornell University) (preprint, 2022-11-05)
Field: Materials Science — Materials Chemistry

Electronic properties of monolayer copper selenide with one-dimensional moiré patterns Strain engineering is a vital way to manipulate the electronic properties of two-dimensional (2D) materials. As a typical representative of transition metal mono-chalcogenides (TMMs), a honeycomb CuSe monolayer features with one-dimensional (1D) moiré patterns owing to the uniaxial strain along one of three equivalent orientations of Cu(111) substrates. Here, by combining low-temperature scanning tunneling microscopy/spectroscopy (STM/S) experiments and density functional theory (DFT) calculations, we systematically investigate the electronic properties of the strained CuSe monolayer on the Cu(111) substrate. Our results show the semiconducting feature of CuSe monolayer with a band gap of 1.28 eV and the 1D periodical modulation of electronic properties by the 1D moiré patterns. Except for the uniaxially strained CuSe monolayer, we observed domain boundary and line defects in the CuSe monolayer, where the biaxial-strain and strain-free conditions can be investigated respectively. STS measurements for the three different strain regions show that the first peak in conduction band will move downward with the increasing strain. DFT calculations based on the three CuSe atomic models with different strain inside reproduced the peak movement. The present findings not only enrich the fundamental comprehension toward the influence of strain on electronic properties at 2D limit, but also offer the benchmark for the development of 2D semiconductor materials. Monolayer ; Materials science ; Condensed matter physics ; Moiré pattern ; Semiconductor ; Substrate (aquarium) ; Band gap ; Scanning tunneling microscope ; Strain (injury) ; Scanning tunneling spectroscopy ; Density functional theory ; Nanotechnology ; Computational chemistry ; Optoelectronics ; Optics ; Chemistry ; Physics 2D Materials and Applications ; Graphene research and applications ; ZnO doping and properties