jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carolin Lörchner | Carsten Fauhl‐Hassek | Marcus A. Glomb | Vincent Baeten | Juan Antonio Fernández Pierna | Susanne Esslinger
Source: Food Analytical Methods (article, 2024-01-05)
Field: Chemistry — Analytical Chemistry

Comparison of Spectroscopic Techniques Using the Adulteration of Pumpkin Seed Oil as Example Abstract The aim of the present study was to compare different spectroscopic techniques using the example of adulteration of pumpkin seed oil with rapeseed oil in combination with a multivariate regression method. A total of 124 pure seed oils and 96 adulterated samples (adulteration levels from 0.5 to 90.0% w/w) were analyzed using mid infrared, Raman, and 1 H-nuclear magnetic resonance spectroscopy. To build quantification models, partial least squares regression (PLS-R) was used. The regression performance parameters, latent variables, and the detection limits (in terms of root mean square error of PLS prediction) calculated when applying the different spectroscopic approaches were compared. For the studied example (pumpkin seed oil adulterated with refined rapeseed oil), the lowest detection limit (3.4% w/w) was obtained for 1 H-nuclear magnetic resonance spectroscopy. For the mid infrared and Raman spectroscopy, detection limits of 4.8% w/w and 9.2% w/w, respectively, were obtained, which might be used as screening methods. Pumpkin seed ; Rapeseed ; Partial least squares regression ; Detection limit ; Mathematics ; Chemistry ; Linear regression ; Analytical Chemistry (journal) ; Regression analysis ; Edible oil ; Spectroscopy ; Adulterant ; Chromatography ; Food science ; Statistics ; Physics Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Essential Oils and Antimicrobial Activity
Authors: Joshua L. Turnbull | Evan W. Miller
Source: Trends in Chemistry (article, 2024-02-28)
Field: Chemistry — Spectroscopy

An open and shut case? Chemistry to control xanthene dyes Xanthene ; Chemistry ; Rhodamine ; Nanotechnology ; Fluorescence ; Combinatorial chemistry ; Photochemistry ; Materials science ; Physics Molecular Sensors and Ion Detection ; Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials
Authors: Ivan I. Fedorov | Sergey A Protasov | Irina A. Tarasova | Mikhail V. Gorshkov
Source: Biochemistry (Moscow) (review, 2024-08-01)
Field: Chemistry — Spectroscopy

Ultrafast Proteomics Current stage of proteomic research in the field of biology, medicine, development of new drugs, population screening, or personalized approaches to therapy dictates the need to analyze large sets of samples within the reasonable experimental time. Until recently, mass spectrometry measurements in proteomics were characterized as unique in identifying and quantifying cellular protein composition, but low throughput, requiring many hours to analyze a single sample. This was in conflict with the dynamics of changes in biological systems at the whole cellular proteome level upon the influence of external and internal factors. Thus, low speed of the whole proteome analysis has become the main factor limiting developments in functional proteomics, where it is necessary to annotate intracellular processes not only in a wide range of conditions, but also over a long period of time. Enormous level of heterogeneity of tissue cells or tumors, even of the same type, dictates the need to analyze biological systems at the level of individual cells. These studies involve obtaining molecular characteristics for tens, if not hundreds of thousands of individual cells, including their whole proteome profiles. Development of mass spectrometry technologies providing high resolution and mass measurement accuracy, predictive chromatography, new methods for peptide separation by ion mobility and processing of proteomic data based on artificial intelligence algorithms have opened a way for significant, if not radical, increase in the throughput of whole proteome analysis and led to implementation of the novel concept of ultrafast proteomics. Work done just in the last few years has demonstrated the proteome-wide analysis throughput of several hundred samples per day at a depth of several thousand proteins, levels unimaginable three or four years ago. The review examines background of these developments, as well as modern methods and approaches that implement ultrafast analysis of the entire proteome. Ultrashort pulse ; Proteomics ; Computational biology ; Chemistry ; Computer science ; Biology ; Physics ; Biochemistry ; Optics ; Laser Advanced Proteomics Techniques and Applications ; Glycosylation and Glycoproteins Research ; Advanced Biosensing Techniques and Applications
Authors: Bin Chen | Junhua Li | Xu Wang | Mengchao Shi | Tulai Sun | Mengjiao Xia | Keyuan Ding | Jie Liu | Jixue Li | He Tian | Feng Rao
Source: Advanced Functional Materials (article, 2024-01-14)
Field: Materials Science — Materials Chemistry

Insights into the Heterogeneous Nuclei of an Ultrafast‐Crystallizing Glassy Solid Abstract Crystallization determines the programming speed of phase‐change memory devices; while, the nucleation phenomenon of many phase‐change materials (PCMs) is not entirely understood, especially concerning the atomic structures and dynamic behaviors of the subcritical nuclei. This is undoubtedly an insurmountable challenge for scandium antimony telluride (Sc x Sb 2 Te 3 ) PCM as its subnanosecond‐crystallization nature impedes the real‐time observation of the transient nucleation process. To solve the puzzle, atomic probe tomography and transmission electron microscopy are employed to circumvent the technical difficulties; for the first time, the atomistic information of the heterogeneous nuclei in Sc x Sb 2 Te 3 is unveiled, such as enriched Sc ≈ 25 at% in core composition, ≈1.0 nm in geometric size, and ≈10 23 –10 24 m −3 in spatial density. The unique nanoscale chemical inhomogeneity ensures the unusual stabilities and dynamics of the early‐stage nuclei, reinforcing them to survive the melt‐quenching action and greatly suppressing the nucleating randomness, thereby facilitating simultaneous and prompt crystal growth throughout the amorphous phase to achieve ultrafast crystallization. The present study offers a new insight into the nonclassical pathways, which will improve understanding and promote better regulation of the nucleation phenomenon in functional materials. Nucleation ; Materials science ; Crystallization ; Chemical physics ; Amorphous solid ; Phase (matter) ; Nanotechnology ; Crystal (programming language) ; Quenching (fluorescence) ; Crystal growth ; Ultrashort pulse ; Chemical engineering ; Crystallography ; Thermodynamics ; Fluorescence ; Optics ; Computer science ; Laser ; Physics ; Chemistry Phase-change materials and chalcogenides ; Chalcogenide Semiconductor Thin Films ; Glass properties and applications
Authors: Rajesh Angirekula | S. Manickam | P. Ravindra Babu
Source: Applied Engineering Letters Journal of Engineering and Applied Sciences (article, 2024-01-01)
Field: Materials Science — Ceramics and Composites

Optimizing process parameters for enhancing mechanical properties of aa6061 composites reinforced with walnut shell ash and silicon carbide Aluminium 6061 (AA6061) plays an important role in modern engineering due to its versatile applications, including aerospace, automotive, and construction. This study explores AA6061 as a matrix material reinforced with walnut shell ash (WSA) and Silicon Carbide (SiC), produced through the ultrasonic-assisted stir casting technique. The research aims to improve the process parameters using the Taguchi L9 orthogonal array. The parameters include weight percentage of reinforcement – 2% (1%WSA+1%SiC), 4% (2%WSA+2%SiC), and 6% (3%WSA+3%SiC), Stirring speed (SS) -300 rpm, 350 rpm, and 400 rpm, and Stirring time (ST) -2, 3, and 4 minutes. The response properties examined are hardness, impact strength, and compressive strength. Optimal parameters for achieving maximum hardness are 6% reinforcement, 300 rpm stirring speed, and 2 minutes of stirring time. For optimal impact strength, the best conditions are 2% reinforcement, 300 rpm stirring speed, and 2 minutes of stirring time. For maximum compressive strength, the ideal parameters are 6% reinforcement, 400 rpm stirring speed, and 3 minutes of stirring time. Scanning Electron Microscope (SEM) images confirmed the uniform distribution of reinforcements, supporting the results. This study demonstrates the impact of optimizing process parameters to improve the mechanical properties of AA6061 composites, contributing significantly to their potential applications. Silicon carbide ; Composite material ; Materials science ; Shell (structure) ; Silicon ; Composite number ; Metallurgy Advanced ceramic materials synthesis ; Material Properties and Applications ; Innovations in Concrete and Construction Materials
Authors: Maarten Bolhuis | Sabrya E. van Heijst | Jeroen J. M. Sangers | Sonia Conesa‐Boj
Source: Small Science (article, 2024-01-12)
Field: Materials Science — Materials Chemistry

4D‐STEM Nanoscale Strain Analysis in van der Waals Materials: Advancing beyond Planar Configurations Achieving nanoscale strain fields mapping in intricate van der Waals (vdW) nanostructures, like twisted flakes and nanorods, presents several challenges due to their complex geometry, small size, and sensitivity limitations. Understanding these strain fields is pivotal as they significantly influence the optoelectronic properties of vdW materials, playing a crucial role in a plethora of applications ranging from nanoelectronics to nanophotonics. Here, a novel approach for achieving a nanoscale-resolved mapping of strain fields across entire micron-sized vdW nanostructures using four-dimensional (4D) scanning transmission electron microscopy (STEM) imaging equipped with an electron microscope pixel array detector (EMPAD) is presented. This technique extends the capabilities of STEM-based strain mapping by means of the exit-wave power cepstrum method incorporating automated peak tracking and <i>K</i>-means clustering algorithms. This approach is validated on two representative vdW nanostructures: a two-dimensional (2D) MoS<sub>2</sub> thin twisted flakes and a one-dimensional (1D) MoO<sub>3</sub>/MoS<sub>2</sub> nanorod heterostructure. Beyond just vdW materials, the versatile methodology offers broader applicability for strain-field analysis in various low-dimensional nanostructured materials. This advances the understanding of the intricate relationship between nanoscale strain patterns and their consequent optoelectronic properties. Materials science ; van der Waals force ; Nanotechnology ; Nanorod ; Nanoscopic scale ; Nanostructure ; Strain engineering ; Nanoelectronics ; Heterojunction ; Scanning transmission electron microscopy ; Graphene ; Planar ; Optoelectronics ; Transmission electron microscopy ; Physics ; Computer science 2D Materials and Applications ; Nanowire Synthesis and Applications ; Ga2O3 and related materials
Authors: Giulia Sierri | Michela Patrucco | Davide L. Ferrario | Antonio Renda | Susanna Comi | Matilde Ciprandi | Veronica Fontanini | Francesco Saverio Sica | Silvia Sesana | Marta Costa Verdugo | Marcelo Kravicz | Luca Salassa | Marta Busnelli | Francesca Re
Source: Wiley Interdisciplinary Reviews Nanomedicine and Nanobiotechnology (review, 2024-09-01)
Field: Materials Science — Biomaterials

Targeting specific brain districts for advanced <scp>nanotherapies</scp>: A review from the perspective of precision nanomedicine Numerous studies are focused on nanoparticle penetration into the brain functionalizing them with ligands useful to cross the blood-brain barrier. However, cell targeting is also crucial, given that cerebral pathologies frequently affect specific brain cells or areas. Functionalize nanoparticles with the most appropriate targeting elements, tailor their physical parameters, and consider the brain's complex anatomy are essential aspects for precise therapy and diagnosis. In this review, we addressed the state of the art on targeted nanoparticles for drug delivery in diseased brain regions, outlining progress, limitations, and ongoing challenges. We also provide a summary and overview of general design principles that can be applied to nanotherapies, considering the areas and cell types affected by the most common brain disorders. We then emphasize lingering uncertainties that hinder the translational possibilities of nanotherapies for clinical use. Finally, we offer suggestions for continuing preclinical investigations to enhance the overall effectiveness of precision nanomedicine in addressing neurological conditions. This article is categorized under: Therapeutic Approaches and Drug Discovery > Nanomedicine for Neurological Disease Therapeutic Approaches and Drug Discovery > Emerging Technologies. Nanomedicine ; Medicine ; Drug discovery ; Drug delivery ; Nanotechnology ; Brain disease ; Neuroscience ; Disease ; Bioinformatics ; Psychology ; Pathology ; Biology ; Nanoparticle ; Materials science Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; RNA Interference and Gene Delivery
Authors: Hunter B. Andrews | Luke R. Sadergaski
Source: ACS Sensors (article, 2024-09-19)
Field: Chemistry — Analytical Chemistry

Automated Calibration for Rapid Optical Spectroscopy Sensor Development for Online Monitoring An automated platform has been developed to assist researchers in the rapid development of optical spectroscopy sensors to quantify species from spectral data. This platform performs calibration and validation measurements simultaneously. Real-time, in situ monitoring of complex systems through optical spectroscopy has been shown to be a useful tool; however, building calibration models requires development time, which can be a limiting factor in the case of radiological or otherwise hazardous systems. While calibration time can be reduced through optimized design of experiments, this study approached the challenge differently through automation. The ATLAS (Automated Transient Learning for Applied Sensors) platform used pneumatic control of stock solutions to cycle flow profiles through desired calibration concentrations for multivariate model construction. Additionally, the transients between desired concentrations based on flow calculations were used as validation measurements to understand model predictive capabilities. This automated approach yielded an incredible 76% reduction in model development time and a 60% reduction in sample volume versus estimated manual sample preparation and static measurements. The ATLAS system was demonstrated on two systems: a three-lanthanide system with Pr/Nd/Ho representing a use case with significant overlap or interference between analyte signatures and an alternate system containing Pr/Nd/Ni to demonstrate a use case in which broad-band corrosion species signatures interfered with more distinct lanthanide absorbance profiles. Both systems resulted in strong model prediction performance (RMSEP < 9%). Lastly, ATLAS was demonstrated as a tool to simulate process monitoring scenarios (e.g., column separation) in which models can be further optimized to account for day-to-day changes as necessary (e.g., baseline correction). Ultimately, ATLAS offers a vital tool to rapidly screen monitoring methods, investigate sensor fusion, and explore more complex systems (i.e., larger numbers of species). Calibration ; Computer science ; Chemometrics ; Automation ; Analyte ; Spectrometer ; Process engineering ; Engineering ; Chemistry ; Machine learning ; Optics ; Physics Spectroscopy and Chemometric Analyses ; Pesticide Residue Analysis and Safety ; Fault Detection and Control Systems
Authors: Arthur Langlard | Hassiba Smida | Romain Chevalet | Christine Thobie‐Gautier | Mohammed Boujtita | Estelle Lebègue
Source: ACS Measurement Science Au (article, 2024-09-06)
Field: Chemistry — Electrochemistry

Computer-Assisted Processing of Current Step Signals in Single Blocking Impact Electrochemistry Current step signals related to single-entity collisions in blocking impact electrochemistry were analyzed by computer-assisted processing for estimating the size distributions of various particles. In this work, three different types of entities were studied by single blocking impact electrochemistry: polystyrene nanospheres (350 nm diameter) and microspheres (1 μm diameter), phospholipid liposomes (300 nm diameter) and two different strains of Gram-negative bacillus bacteria (<i>Escherichia coli</i> and <i>Shewanella oneidensis</i>). The size estimations of these different entities from the current step signal analysis were compared and discussed according to the shape and size of each entity. From the magnitude of the current step transient, the size distribution of each entity was calculated by a new computer program assisting in the detection and analysis of single impact events in chronoamperometry measurements. The data processing showed that the size distributions obtained from the electrochemical data agreed with the dynamic light scattering and atomic force microscopy data for nanospheres and liposomes. In contrast, the size estimation calculated from the electrochemical data was underestimated for microspheres and bacteria. We demonstrated that our computer program was efficient for detecting and analyzing the collision events in single blocking impact electrochemistry for various entities from spherical hard nanoparticles to micrometer-sized rod-shaped living bacteria. Blocking (statistics) ; Current (fluid) ; Electrochemistry ; Computer science ; Electrode ; Chemistry ; Electrical engineering ; Engineering ; Computer network Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Electrochemical sensors and biosensors
Authors: Maruf Sarkar | Francesca Adams | Sidra Abbas Dar | Jordan Penn | Yihong Ji | Abhiram Gundimeda | Tongtong Zhu | Chaowang Liu | H. Hirshy | Fabien Massabuau | Thomas J. O’Hanlon | Menno J. Kappers | Saptarsi Ghosh | Gunnar Kusch | Rachel A. Oliver
Source: Microscopy and Microanalysis (article, 2024-04-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Sub-surface Imaging of Porous GaN Distributed Bragg Reflectors via Backscattered Electrons In this article, porous GaN distributed Bragg reflectors (DBRs) were fabricated by epitaxy of undoped/doped multilayers followed by electrochemical etching. We present backscattered electron scanning electron microscopy (BSE-SEM) for sub-surface plan-view imaging, enabling efficient, non-destructive pore morphology characterization. In mesoporous GaN DBRs, BSE-SEM images the same branching pores and Voronoi-like domains as scanning transmission electron microscopy. In microporous GaN DBRs, micrographs were dominated by first porous layer features (45 nm to 108 nm sub-surface) with diffuse second layer (153 nm to 216 nm sub-surface) contributions. The optimum primary electron landing energy (LE) for image contrast and spatial resolution in a Zeiss GeminiSEM 300 was approximately 20 keV. BSE-SEM detects porosity ca. 295 nm sub-surface in an overgrown porous GaN DBR, yielding low contrast that is still first porous layer dominated. Imaging through a ca. 190 nm GaN cap improves contrast. We derived image contrast, spatial resolution, and information depth expectations from semi-empirical expressions. These theoretical studies echo our experiments as image contrast and spatial resolution can improve with higher LE, plateauing towards 30 keV. BSE-SEM is predicted to be dominated by the uppermost porous layer's uppermost region, congruent with experimental analysis. Most pertinently, information depth increases with LE, as observed. Materials science ; Scanning electron microscope ; Porosity ; High-resolution transmission electron microscopy ; Characterization (materials science) ; Resolution (logic) ; Scanning transmission electron microscopy ; Transmission electron microscopy ; Image resolution ; Electron tomography ; Mesoporous material ; Layer (electronics) ; Epitaxy ; Etching (microfabrication) ; Optics ; Optoelectronics ; Nanotechnology ; Composite material ; Chemistry Ga2O3 and related materials ; GaN-based semiconductor devices and materials ; Anodic Oxide Films and Nanostructures
Authors: Maria Tarapoulouzi | José Antonio Entrenas | Dolores Pérez‐Marín | Ioannis Pashalidis | Charis R. Theocharis
Source: Processes (article, 2024-07-19)
Field: Chemistry — Analytical Chemistry

A Preliminary Study on Determining Seasonal Variations in Halloumi Cheese Using Near-Infrared Spectroscopy and Chemometrics Cheese quality is affected by seasonal variations. These variations can influence several aspects of cheese, including its flavor, texture, nutritional content, and overall sensory qualities. The aim of this study was to assess the performance of near-infrared (NIR) instrumentation in terms of its ability to detect seasonal variations in Halloumi cheese samples when applying limited sample preparation compared to traditional protocols. Therefore, the use of NIR spectroscopy was examined for the determination of seasonal variations in Halloumi cheese samples from Cyprus in combination with chemometrics. Partial Least Squares Discriminant Analysis (PLS-DA) was applied. We found that NIR and chemometrics successfully discriminated the Halloumi cheese samples based on different climate conditions, the four seasons in the year when the milk collection took place. To externally validate the model, the dataset was divided into training and test sets. The innovation of this study is that Halloumi cheese was studied regarding seasonal variations by applying NIR for the first time. The outcome of this preliminary study is positive in terms of the capability of NIR to distinguish seasonal variations in Halloumi cheese, especially those due to differences in fatty acid molecules throughout the year. Future studies will include more samples to increase the current database. Chemometrics ; Infrared spectroscopy ; Near-infrared spectroscopy ; Spectroscopy ; Analytical Chemistry (journal) ; Chemistry ; Chromatography ; Optics ; Physics ; Organic chemistry Spectroscopy and Chemometric Analyses ; Isotope Analysis in Ecology ; Spectroscopy Techniques in Biomedical and Chemical Research