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SPACIER: on-demand polymer design with fully automated all-atom classical molecular dynamics integrated into machine learning pipelines
Published 2025-01-01“…We developed SPACIER, an open-source software program that incorporates RadonPy, a Python library for fully automated polymer physical property calculations based on all-atom classical molecular dynamics, into a Bayesian optimization-based polymer design system to overcome these challenges. …”
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202
Cation-Specific Effects on the Self-Assembly of Collagen Molecules Mediated by Acetate on Mica Surface Observed with Atomic Force Microscopy
Published 2017-01-01“…In this work, collagen extracted from fish scales by acid-base method was used to explore the self-assembly characters, and atomic force microscopy was applied to observe the collagen assembled on mica surface mediated by acetate with four different cations, including K+, Na+, Mg2+, and Ca2+. …”
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Modern Interpretation of Periodic Phenomenon
Published 2019-12-01Subjects: “…electronic structure of the atom…”
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Microscopic and Spectroscopic Investigation of (AlxGa1–X)2O3 Films: Unraveling the Impact of Growth Orientation and Aluminum Content
Published 2025-01-01Subjects: “…atom probe tomography…”
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CellMAP: an open-source software tool to batch-process cell topography and stiffness maps collected with an atomic force microscope
Published 2025-02-01Subjects: Get full text
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206
Adsorption, X-ray diffraction, photoelectron, and atomic emission spectroscopy benchmark studies for the eighth industrial fluid properties simulation challenge
Published 2016-02-01“…These studies included argon, carbon dioxide, and water adsorption in the BAM-P109 activated carbon as well as X-ray diffraction, X-ray microtomography, photoelectron spectroscopy, and atomic emission spectroscopy studies of BAM-P109. …”
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hERGAT: predicting hERG blockers using graph attention mechanism through atom- and molecule-level interaction analyses
Published 2025-01-01“…The hERGAT employs a gated recurrent unit (GRU) with the GAT to learn information between more distant atoms. To confirm this, we performed clustering analysis and visualized a correlation heatmap, verifying the interactions between distant atoms were considered during the training process. …”
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Improvement of Mechanical Characteristics on Ultra-High Molecular Weight Polyethylene Surface through Zinc Oxide Atomic Layer Deposition Film
Published 2022-01-01“…In this study, we applied atomic layer deposition (ALD) technique to produce wear-resistant zinc oxide (ZnO) films to improve mechanical and wear characteristics on the surface of UHMWPE. …”
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Noise and Electrical Oscillations Generation during the Investigation of the Resistive Switching in the Yttria Stabilized Zirconia Films by Conductive Atomic Force Microscopy
Published 2015-01-01“…The effect of resistive switching in the yttria stabilized zirconia (YSZ) thin films on Si substrates has been studied by Conductive Atomic Force Microscopy (CAFM). The resistive switching of the YSZ films from the low conductive state to the highly conductive one has been found to be associated with the increasing of the noise with broad frequency spectrum related to the redistribution of the oxygen vacancies in YSZ. …”
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Determination of Trace Amounts of Palladium in Water Samples by Graphite Furnace Atomic Absorption Spectrometry after Dispersive Liquid-Liquid Microextraction
Published 2013-01-01“…A simple, rapid, and powerful microextraction technique was used for determination of palladium (II) ion in water samples using dispersive liquid-liquid microextraction (DLLME) followed by graphite furnace atomic absorption spectrometry (GF AAS). The different variables affecting the complexation and extraction conditions such as extraction and disperser solvent type, extraction time, pH, and concentration of chelating agent were optimized. …”
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212
Inhibition of Anti-Reflection Film Cracks on Plastic Substrates Using Nanolaminate Layer Deposition in Plasma-Enhanced Atomic Layer Deposition
Published 2024-12-01“…This study used plasma-enhanced atomic layer deposition (PEALD) to find the relationship between the intensity of XRD reflection peak and the root-mean-square surface roughness (σ<sub>RMS</sub>) of hafnium dioxide (HfO<sub>2</sub>) at different thicknesses by reducing the plasma power at different process temperatures. …”
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Dynamic tuning of terahertz atomic lattice vibration via cross-scale mode coupling to nanomechanical resonance in WSe2 membranes
Published 2025-01-01“…Here, we demonstrate dynamic coupling between atomic lattice vibration and nanomechanical resonances in few-layer WSe2 NEMS. …”
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Determination of the Levels of Selected Essential Metals in Sycamore (Ficus sycomorus L) Fruit and Seed Using Flame Atomic Absorption Spectrophotometry
Published 2023-01-01“…The concentration of macro (K, Ca, and Mg) and micro essential elements (Fe, Mn, Zn, and Cu) metals in sycamore fruit and seed samples was determined by using a flame atomic absorption spectrophotometer (F AAS). The wet digestion procedure was evaluated using the standard addition (spiking) method, and an acceptable percentage recovery was obtained in the range of 81–119 and 80–118 for the metals in fruit and seed samples, respectively. 0.5 g of oven-dried samples was digested using 10 mL of conc. …”
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217
Three-body contact for fermions. I. General relations
Published 2024-04-01Subjects: Get full text
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A Green Preconcentration Method for Determination of Cobalt and Lead in Fresh Surface and Waste Water Samples Prior to Flame Atomic Absorption Spectrometry
Published 2012-01-01“…After phase separation, based on the cloud point, the surfactant-rich phase was diluted with acidic ethanol prior to its analysis by the flame atomic absorption spectrometry (FAAS). The enhancement factors 70 and 50 with detection limits of 0.26 μg L−1 and 0.44 μg L−1 were obtained for Co and Pb, respectively. …”
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Flame Atomic Absorption Spectrometric Determination of Trace Amounts of Silver after Solid-Phase Extraction with 2-Mercaptobenzothiazole Immobilized on Microcrystalline Naphthalene
Published 2013-01-01“…A simple and sensitive solid-phase extraction (SPE) procedure combined with flame atomic absorption spectrometry (FAAS) was designed for the extraction and determination of trace amounts of silver. …”
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