jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sydney Mason | Maryna L. Meretska | Christina Spägele | Marcus Ossiander | Federico Capasso
Source: arXiv (Cornell University) (preprint, 2023-10-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Metasurface-controlled holographic microcavities Optical microcavities confine light to wavelength-scale volumes and are a key component for manipulating and enhancing the interaction of light, vacuum states, and matter. Current microcavities are constrained to a small number of spatial mode profiles. Imaging cavities can accommodate complicated modes but require an externally pre-shaped input. Here, we experimentally demonstrate a visible-wavelength, metasurface-based, holographic microcavity that overcomes these limitations. The micron-scale metasurface cavity fulfills the round-trip condition for a designed mode with a complex-shaped intensity profile and thus selectively enhances light that couples to this mode, achieving a spectral bandwidth of 0.8 nm. By imaging the intracavity mode, we show that the holographic mode changes quickly with the cavity length, and the cavity displays the desired spatial mode profile only close to the design cavity length. When placing a metasurface on a distributed Bragg reflector and realizing steep phase gradients, the correct choice of the reflector's top layer material can boost metasurface performance considerably. The applied forward-design method is readily transferable to other spectral regimes and mode profiles. Holography ; Optics ; Distributed Bragg reflector ; Reflector (photography) ; Wavelength ; Bandwidth (computing) ; Optoelectronics ; Mode (computer interface) ; Physics ; Materials science ; Computer science ; Light source ; Telecommunications Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Photonic Crystals and Applications
Authors: Norma Aurea Rangel-Vázquez | Billy Alberto Ávila-Camacho
Source: Investigación y Ciencia de la Universidad Autónoma de Aguascalientes (article, 2023-05-31)
Field: Chemistry — Analytical Chemistry

Adsorción de metales pesados (Hg2+, Cu2+ y Ni2+) en NTC utilizando redes neuronales Feed forward backprop y Elman backprop En el presente trabajo se estudiaron sistemas de adsorción mono y multicomponente de metales pesados (Hg2+, Cu2+ y Ni2+) como adsorbatos y nanotubos de carbono (NTC) como adsorbentes. Primero, se determinaron las propiedades termodinámicas y QSAR a 298.15 y 30815K utilizando simulación computacional. Posteriormente, se desarrollaron redes neuronales artificiales Feedforward backprop y Elman backprop, en donde la red con mayor precisión de las propiedades termodinámicas y QSAR fue, la Elman Backprop con la función Logsig utilizando 5 y 3 neuronas en la capa oculta a 298.15 y 308.15 K, por otro lado, las redes tuvieron una r2 de 0.999, y un error cuadrático medio de 0.021, 0.024 y 0.214 respectivamente. Humanities ; Computer science ; Chemistry ; Philosophy Analytical chemistry methods development
Authors: Tian Ma | Hendrik Hessenkemper | Dirk Luca | Andrew D. Bragg
Source: arXiv (Cornell University) (preprint, 2023-06-03)
Field: Materials Science — Materials Chemistry

Fate of bubble clusters rising in a quiescent liquid We use experiments to study the evolution of bubble clusters in a swarm of freely rising, deformable bubbles. A new machine learning-aided algorithm allows us to identify and track bubbles in clusters and measure the cluster lifetimes. The results indicate that contamination in the carrier liquid can enhance the formation of bubble clusters and prolong the cluster lifetimes. The mean bubble rise velocities conditioned on the bubble cluster size are also explored, and we find a positive correlation between the cluster size and the rise speed of the bubbles in the cluster, with clustered bubbles rising up to $20\%$ faster than unclustered bubbles. Bubble ; Cluster (spacecraft) ; Measure (data warehouse) ; Mechanics ; Cluster size ; Physics ; Computer science ; Molecular dynamics ; Data mining Pickering emulsions and particle stabilization ; Fluid Dynamics and Mixing ; Minerals Flotation and Separation Techniques
Authors: Steven R. Spurgeon
Source: Microscopy and Microanalysis (article, 2023-07-22)
Field: Materials Science — Materials Chemistry

Understanding Oxides in Extreme Environments Via Machine Intelligence Journal Article Understanding Oxides in Extreme Environments Via Machine Intelligence Get access Steven R Spurgeon Steven R Spurgeon Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, WA, USADepartment of Physics, University of Washington, Seattle, WA, USA Search for other works by this author on: Oxford Academic Google Scholar Microscopy and Microanalysis, Volume 29, Issue Supplement_1, 1 August 2023, Page 1634, https://doi.org/10.1093/micmic/ozad067.840 Published: 22 July 2023 Extreme environment ; Computer science ; Materials science ; Geology ; Paleontology Machine Learning in Materials Science ; Electronic and Structural Properties of Oxides ; Electron and X-Ray Spectroscopy Techniques
Authors: Kaouther Kerboua
Source:  (article, 2023-11-21)
Field: Materials Science — Materials Chemistry

Acoustic Cavitation and Ionic Liquid Combined: A Modeling Investigation of the Possible Promises in Terms of Physico-Chemical Effects The present work is based on a mathematical model describing a single acoustic cavitation bubble oscillating under an ultrasonic field of 200 and 300 kHz and an acoustic amplitude of 1.8 atm within 1-butyl-3-methylimidazolium acetate. The model integrates the dynamics of bubble oscillation, the thermodynamics applied to the interior of the bubble and at its interface, and the sonophysical and sonochemical events occurring in the presence of dissolved cellulose in the ionic liquid. The performed simulations shed light on the major physical effects of acoustic cavitation, namely the shockwave and microjet, as well as the sonochemical effects in terms of the degradation rate of the dissolved cellulose in the secondary reactional site, i.e., the interface. The predominance of the effects and its dependency of the acoustic frequency is tackled from an energetic point of view. It is demonstrated that 300 kHz offers the lowest heat flow across the bubble interface, lowering the chances for the sonochemical degradation of cellulose, while 200 kHz offers a significant degradation rate, attaining 71.4 mol·dm−3·s−1, as well as harsher microjets and shockwaves with powers of 3300 and 900 mW at collapse, respectively. Cavitation ; Bubble ; Sonochemistry ; Ionic liquid ; Oscillation (cell signaling) ; Degradation (telecommunications) ; Materials science ; Work (physics) ; Mechanics ; Cellulose ; Ionic bonding ; Acoustics ; Chemical engineering ; Chemistry ; Thermodynamics ; Physics ; Ion ; Organic chemistry ; Electronic engineering ; Engineering Ultrasound and Cavitation Phenomena ; Innovative Microfluidic and Catalytic Techniques Innovation ; Advanced Cellulose Research Studies
Authors: Tingting Liu | Dandan Zhang | Wenxing Liu | Tianbao Yu | Wu Feng | Shuyuan Xiao | Lujun Huang | Andrey E. Miroshnichenko
Source: arXiv (Cornell University) (preprint, 2023-09-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Phase-change nonlocal metasurfaces for dynamic wavefront manipulation Recent advances in nonlocal metasurfaces have enabled unprecedented success in shaping the wavefront of light with spectral selectivity, offering new solutions for many emerging nanophotonics applications. The ability to tune both the spectral and spatial properties of such a novel class of metasurfaces is highly desirable, but the dynamic nonvolatile control remains elusive. Here, we demonstrate active narrowband wavefront manipulation by harnessing quasi-bound states in the continuum (quasi-BICs) in phase-change nonlocal metasurfaces. The proof-of-principle metasurfaces made of Sb$_2$S$_3$ allow for nonvolatile, reversible, and tunable spectral control over wavefront and switchable spatial response at a given wavelength. The design principle mainly builds upon the combination of the geometry phase of quasi-BICs and the dynamic tunability of phase-change meta-atoms to tailor the spatial response of light at distinct resonant wavelengths. By tuning the crystallization level of Sb$_2$S$_3$ meta-atoms, the dynamic nonlocal wavefront-shaping functionalities of beam steering, 1D, and 2D focusing are achieved. Furthermore, we demonstrate tunable holographic imaging with active spectral selectivity using our phase-change nonlocal metasurface. This work represents a critical advance towards developing integrated dynamic nonlocal metasurface for future augmented and virtual reality wearables. Wavefront ; Holography ; Narrowband ; Optics ; Phase (matter) ; Physics ; Spatial light modulator ; Computer science Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Acoustic Wave Phenomena Research
Authors: Zhou Zhou | Yiheng Zhang | Yingxin Xie | Tian Huang | Zile Li | Peng Chen | Yanqing Lu | Shaohua Yu | Shuang Zhang | Guoxing Zheng
Source: arXiv (Cornell University) (preprint, 2023-08-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Spectral lens enables a minimalist framework for hyperspectral imaging Conventional lens-based imaging techniques have long been limited to capturing only the intensity distribution of objects, resulting in the loss of other crucial dimensions such as spectral data. Here, we report a spectral lens that captures both spatial and spectral information, and further demonstrate a minimalist framework wherein hyperspectral imaging can be readily achieved by replacing lenses in standard cameras with our spectral lens. As a paradigm, we capitalize on planar liquid crystal optics to implement the proposed framework. Our experiments with various targets show that the resulting hyperspectral camera exhibits excellent performance in both spectral and spatial domains. With merits such as ultra-compactness and strong compatibility, our framework paves a practical pathway for advancing hyperspectral imaging apparatus toward miniaturization, with great potential for portable applications. Hyperspectral imaging ; Lens (geology) ; Spectral imaging ; Computer science ; Optics ; Miniaturization ; Full spectral imaging ; Planar ; Computer vision ; Artificial intelligence ; Physics ; Materials science ; Computer graphics (images) ; Nanotechnology Liquid Crystal Research Advancements ; Ocular Surface and Contact Lens ; Metamaterials and Metasurfaces Applications
Authors: Nemailal Tarafder
Source:  (article, 2023-06-26)
Field: Materials Science — Polymers and Plastics

Mechatronics in Textile Industry - An Overview Mechatronics in textile engineering is a combination of different engineering disciplines such as electronic, electrical engineering, telecommunication engineering and many more. In mechatronics the main area covers skill and knowledge whereas core area covers core skills, knowledge, and life skills. An important consideration in mechatronics is the machine learning, which means learning through machine algorithms having wide applications. The application of mechatronics in textile covers area like designing of textile machinery for 3D printing, braiding m/c, weaving mc/s, yarn spinning, texturing, intelligent systems, etc. Application of robotics in textile as a reliable technology is to respond fast during changes. Another important application for textile industry is to reduce the human efforts during labour intensive processing. Automated sewing robots comply with the role of reducing the need for human labours. Automatic handling and manipulation of labours can solve the problem of cost reduction by improving production with lowering labour costs. It is established that the design handling control systems for any 3D model of fabric drape with the use of finite element method and a particle method can simplify the process. Mechatronics ; Textile ; Manufacturing engineering ; Robotics ; Yarn ; Process (computing) ; Textile industry ; Engineering ; Weaving ; Automation ; Artificial intelligence ; Robot ; Mechanical engineering ; Computer science ; Control engineering Textile materials and evaluations
Authors: B. Chen | John Z. H. Zhang
Source: Biophysica (article, 2023-12-03)
Field: Materials Science — Materials Chemistry

Screening and Analysis of Potential Inhibitors of SHMT2 Serine hydroxymethyltransferase 2 (SHMT2) has garnered significant attention as a critical catalytic regulator of the serine/glycine pathway in the one-carbon metabolism of cancer cells. Despite its potential as an anti-cancer target, only a limited number of inhibitors have been identified so far. In this study, we employed seven different scoring functions and skeleton clustering to screen the ChemDiv database for 38 compounds, 20 of which originate from the same skeleton structure. The most significant residues from SHMT2 and chemical groups from the inhibitors were identified using ASGBIE (Alanine Scanning with Generalized Born model and Interaction Entropy), and the binding energy of each residue was quantitatively determined, revealing the essential features of the protein–inhibitor interaction. The two most important contributing residues are TYR105 and TYR106 of the B chain followed by LEU166 and ARG425 of the A chain. The findings will be greatly helpful in developing a thorough comprehension of the binding mechanisms involved in drug–SHMT2 interactions and offer valuable direction for designing more potent inhibitors. Serine ; Serine hydroxymethyltransferase ; Regulator ; Computational biology ; Carbon skeleton ; Biochemistry ; Stereochemistry ; Alanine ; Chemistry ; Biology ; Amino acid ; Gene ; Enzyme Enzyme Structure and Function ; Biochemical and Molecular Research ; Protein Structure and Dynamics
Authors: Ching Tarn | Yuzhuo Wu | Kai‐Fei Wang
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-05-14)
Field: Chemistry — Spectroscopy

PepPre: Promote Peptide Identification Using Accurate and Comprehensive Precursors Abstract Accurate and comprehensive peptide precursor ions are crucial to tandem mass spectrometry-based peptide identification. An identification engine can greatly benefit from the search space reduction hinted by credible and detailed precursors. Additionally, both the number of identifications and the spectrum explainability can be increased by considering multiple precursors per spectrum. Here, we propose PepPre, which detects precursors by decomposing peaks into multiple isotope clusters using linear programming methods. The detected precursors are scored and ranked, and the high-scoring ones are used for the following peptide identification. PepPre is evaluated both on regular and cross-linked peptides datasets, and compared with 11 methods in this paper. The experimental results show that PepPre achieves 203% more PSM and 68% more peptide identifications than instrument software for regular peptides, and 99% more PSM and 27% more peptide pair identifications for cross-linked peptides, which also outperforms all other evaluated methods. In addition to the increased identification numbers, further credibility evaluation evidence that the identifications are credible. Moreover, by widening the isolation window of data acquisition from 2 Th to 8 Th, the engine is able to identify at least 64% more PSMs with PepPre, demonstrating the potential advantages of large isolation windows. Graphical TOC Entry Peptide ; Identification (biology) ; Tandem mass spectrometry ; Computer science ; Mass spectrometry ; Combinatorial chemistry ; Isolation (microbiology) ; Computational biology ; Chemistry ; Chromatography ; Biology ; Bioinformatics ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Jian-Gao Li | Jin-Kun Tang | Hongquan Song | Gotthard Seifert | Dong‐Bo Zhang
Source: Science China Physics Mechanics and Astronomy (article, 2023-12-13)
Field: Materials Science — Materials Chemistry

Programmable repulsive potential for tight-binding from Chen-Möbius inversion theorem Chen ; Inversion (geology) ; Mathematics ; Pure mathematics ; Materials science ; Physics ; Geology Machine Learning in Materials Science ; Boron and Carbon Nanomaterials Research ; Advanced Memory and Neural Computing
Authors: Jack A. Logan | Aaron Michelson | Ajith Pattammattel | Hanfei Yan | Oleg Gang | Alexei V. Tkachenko
Source: The Journal of Chemical Physics (article, 2023-10-20)
Field: Materials Science — Materials Chemistry

Symmetry-specific characterization of bond orientation order in DNA-assembled nanoparticle lattices Bond-orientational order in DNA-assembled nanoparticles lattices is explored with the help of recently introduced Symmetry-specific Bond Order Parameters (SymBOPs). This approach provides a more sensitive analysis of local order than traditional scalar BOPs, facilitating the identification of coherent domains at the single bond level. The present study expands the method initially developed for assemblies of anisotropic particles to the isotropic ones or cases where particle orientation information is unavailable. The SymBOP analysis was applied to experiments on DNA-frame-based assembly of nanoparticle lattices. It proved highly sensitive in identifying coherent crystalline domains with different orientations, as well as detecting topological defects, such as dislocations. Furthermore, the analysis distinguishes individual sublattices within a single crystalline domain, such as pair of interpenetrating FCC lattices within a cubic diamond. The results underscore the versatility and robustness of SymBOPs in characterizing ordering phenomena, making them valuable tools for investigating structural properties in various systems. Isotropy ; Materials science ; Anisotropy ; Nanoparticle ; Characterization (materials science) ; Topological defect ; Topology (electrical circuits) ; Chemical physics ; Statistical physics ; Nanotechnology ; Condensed matter physics ; Crystallography ; Physics ; Chemistry ; Optics ; Mathematics Block Copolymer Self-Assembly ; Polymer Surface Interaction Studies ; Advanced biosensing and bioanalysis techniques
Authors: Sobhy M. El-Adl | Amr A. Mattar | Mahmoud M. Sebaiy | Michael Gamal Fawzy
Source: Research Square (preprint, 2023-09-06)
Field: Chemistry — Analytical Chemistry

CLS, PLS and PCR Methods in Different Sets of Data for Simultaneous Determination of Paracetamol and Orphenadrine Citrate in Their Combined Pharmaceutical Dosage Forms CLs upper limits ; Chemistry ; Dosage form ; Chromatography ; Medicine Analytical Methods in Pharmaceuticals ; Pesticide Residue Analysis and Safety ; Antibiotics Pharmacokinetics and Efficacy
Authors: Sonia Sonia | Arti Devi | Astha Sharma | Amar Deep Ankalgi | Aditi Kaushik | Attish Bhardwaj | Mahendra Singh Ashawat
Source: International Journal of Research Publication and Reviews (review, 2023-07-01)
Field: Chemistry — Spectroscopy

Advances in Two-Dimensional Liquid Chromatography (2D-LC): A Comprehensive Review of Techniques, Applications, and Future Perspectives Two-dimensional liquid chromatography (2D-LC) has emerged as a powerful analytical technique that enhances separation capabilities and improves peak capacity in complex samples. This comprehensive review article provides an overview of the latest advancements in 2D-LC techniques, explores its wide-ranging applications, and discusses future perspectives.The review begins by outlining the fundamental principles of 2D-LC and the different approaches used to implement this technique, including heart-cutting, comprehensive, and online 2D-LC. It discusses the advantages and limitations of each approach, emphasizing their utility in specific analytical scenarios.A detailed analysis of the applications of 2D-LC follows, focusing on its use in pharmaceutical analysis, metabolomics, natural product analysis, and environmental analysis. The review highlights how 2D-LC enables the separation of complex mixtures, provides improved resolution for coeluting compounds, and enhances identification and quantification capabilities. Additionally, it explores the combination of 2D-LC with other analytical techniques such as mass spectrometry, further expanding its potential applications. Furthermore, the review discusses recent advancements in column technologies, stationary phases, and detection methods that have contributed to the improved performance of 2D-LC. It also examines the development of automated software tools and data analysis approaches tailored for 2D-LC data. Chromatography ; Materials science ; Biochemical engineering ; Chemistry ; Engineering Analytical Chemistry and Chromatography
Authors: Misaki Ozawa | Jean‐Louis Barrat | Walter Kob | Francesco Zamponi
Source: arXiv (Cornell University) (preprint, 2023-11-14)
Field: Materials Science — Materials Chemistry

Creating equilibrium glassy states via random particle bonding Creating amorphous solid states by randomly bonding an ensemble of dense liquid monomers is a common procedure which is applied to create a variety of materials such as epoxy resins, colloidal gels, and vitrimers. The properties of the resulting solid do, however, {\it a priori} strongly depend on the preparation history. This can lead to substantial aging of the material, i.e., properties such as mechanical moduli and transport coefficients depend on the time elapsed since solidification, which can lead to a slow degradation of the material in technological applications. It is therefore important to understand under which conditions random monomer bonding can lead to stable solid states, i.e., long-lived metastable states whose properties do not change over time. In this work, we present a theoretical and computational analysis of this problem, and introduce a random bonding procedure that guarantees the proper equilibration of the resulting amorphous states. Our procedure also provides a new route to investigate the fundamental properties of glassy energy landscapes by producing translationally-invariant ultrastable glassy states of simple particle models. Amorphous solid ; Metastability ; Materials science ; Statistical physics ; Particle (ecology) ; A priori and a posteriori ; Chemical physics ; Monomer ; Work (physics) ; Nanotechnology ; Polymer ; Thermodynamics ; Composite material ; Physics ; Chemistry ; Crystallography ; Quantum mechanics Material Dynamics and Properties ; Liquid Crystal Research Advancements ; Data Visualization and Analytics