Development of a method for determination of metallic iron content within hot briquette iron (HBI) for steelmaking by Morcali M.H.

“…The concentration of iron was determined via Atomic Absorption Spectroscopy (AAS). After the optimization study, high-purity metallic iron powder (Sigma-Aldrich, PubChem Substance ID 24855469) was used to compare efficiencies and identify the optimum conditions; The present study was matched with international standard methods (BS ISO 5416:2006, IS 15774:2007). …”
Get full text

Novel Computational Methodologies for Structural Modeling of Spacious Ligand Binding Sites of G-Protein-Coupled Receptors: Development and Application to Human Leukotriene B4 Recep... by Yoko Ishino, Takanori Harada

“…The core idea of the method is that a molecular dynamics simulation is used to calculate average 3D coordinates of all atoms of a GPCR protein against heat fluctuation on the picosecond or nanosecond time scale, and then evolutionary computation including receptor-ligand docking simulations functions to determine the rotation angle of each helix of a GPCR protein as a movement on a longer time scale. …”
Get full text

Schiff bases and their possible therapeutic applications: A review by Nidhi, Siddharam, Devendra Pratap Rao, Amit Kumar Gautam, Ashish Verma, Yashveer Gautam

“…Schiff base (SB) represents a category of organic compounds in which a nitrogen atom with a double bond maintains its stereochemistry. …”
Get full text

Effects of Silica Nanoparticles and Silica-Zirconia Nanoclusters on Tribological Properties of Dental Resin Composites by Henry A. Rodríguez, Herley Casanova

“…Roughness was measured through atomic force microscopy (AFM) while nanohardness was evaluated by nanoindentation. …”
Get full text

Li+ diffusion in crystalline lithium silicides: influence of intrinsic point defects by Christoph Kirsch, Christian Dreßler, Daniel Sebastiani

“…They diffuse via an interstitialcy mechanism usually involving 2 or 3 atoms. Moreover, Frenkel defects are found to play a role in Li _12 Si _7 and Li _13 Si _4 only, as their formation energies are relatively high in Li _1 Si _1 and Li _15 Si _4 . …”
Get full text

Observation of the non-Hermitian skin effect and Fermi skin on a digital quantum computer by Ruizhe Shen, Tianqi Chen, Bo Yang, Ching Hua Lee

“…Abstract Lately, the non-Hermitian skin effect (NHSE) has been demonstrated in various classical metamaterials and even ultracold atomic arrays. Yet, its interplay with many-body dynamics have never been experimentally investigated. …”
Get full text

Empirical Correlation of the Morphology of Coiled Carbon Nanotubes with Their Response to Axial Compression by Jabulani R. Barber, Jeffrey S. Boyles, Aldo A. Ferri, Lawrence A. Bottomley

“…Each nanocoil was attached to the apex of a cantilever probe tip; its dimensions and orientation relative to the tip apex were determined with scanning electron microscopy. The atomic force microscope was employed to apply a cyclic axial load on the nanocoil. …”
Get full text

Synergistic Effects of Nd Content and Cooling Rate on the Organization and Properties of Al-Nd Alloys by Wenjie Wu, Shuchen Sun, Xiangjie Wang, Xinyu Zhang, Chengcheng Chen, Xin Hong, Yaoyu Yan, Jing Wei, Ganfeng Tu

“…Due to the longer diffusion time of Nd atoms in the slow-cooling region and the formation of compounds, the lattice constant in the slow-cooling region is larger. …”
Get full text

Characterization of eDNA from the Clinical Strain Acinetobacter baumannii AIIMS 7 and Its Role in Biofilm Formation by Praveen K. Sahu, Pavithra S. Iyer, Amrita M. Oak, Karishma R. Pardesi, Balu A. Chopade

“…Membrane vesicles (MV) of varying diameter (20–200 nm) containing DNA were found to be released by transmission electron microscopy (TEM) and atomic force microscopy (AFM). An assessment of the characteristics of the eDNA with respect to size, digestion pattern by DNase I/restriction enzymes, and PCR-sequencing, indicates a high similarity with genomic DNA. …”
Get full text

An Overview of Lithium-Ion Battery Safety: Existing Problems and Potential Solutions by Fu Wenduo, Sun Shiqi, Wang Bo

“…Through doping, coating, nanoparticle design, and metal atom replacement, electrode materials can be improved to increase cathode safety, LiF coatings on NCM811 cathodes are one prominent example. …”
Get full text

Distribution of Heavy Metals in Surface Sediments of the Bay of Bengal Coast by M. Z. H. Khan, M. R. Hasan, M. Khan, S. Aktar, K. Fatema

“…The concentration of heavy metals was measured using Atomic Absorption Spectroscopy and Energy Dispersive X-ray fluorescence instruments. …”
Get full text

Electrically tunable THz graphene metasurface wave retarders by Park Hyunwoo, Jeong Sodam, Seo Changwon, Park Hyeongi, Oh Donghak, Shim Jae-Eon, Lee Jaeyeong, Ha Taewoo, Kim Hyeon-Don, Baek Soojeong, Min Bumki, Kim Teun-Teun

“…Specifically, we show that a refractive index for one of the orthogonal polarization states can be electrically controlled by modulating graphene’s conductivity, thereby weakening the capacitive coupling between adjacent meta-atoms in an anisotropic manner. With monolayer graphene, phase retardation of 15° to 81° between two orthogonal polarization states can be achieved. …”
Get full text

Wear-resistant Ti/TiCp composite coatings via synchronous powder supplied wire arc additive manufacturing by Xinxin Guo, Ming Ma, Shuaifeng Zhang, Zhengying Wei

“…The heat erosion caused by the titanium alloy melt did not lead to the complete dissolution of the TiC particles; however, the carbon atoms at the edges of these particles diffuse into the molten pool. …”
Get full text

Unconventional broadening of Rashba spin splitting in a Au2Sb surface alloy with periodic structural defects by Jinbang Hu, Xiansi Wang, Anna Cecilie Åsland, Justin W. Wells

“…From the good agreement between the experimental results and DFT calculations, we identify that the broadening of the Rashba bands comes from variations in Sb atom corrugation induced by the periodic three-pointed star-shaped defects. …”
Get full text

Mercury Monohalides as Ligands in Transition Metal Complexes by Matteo Busato, Jesús Castro, Domenico Piccolo, Marco Bortoluzzi

“…The attention is focused on complexes and clusters where the {Hg-Y} fragment, where Y represents a halide atom, interacts with transition metals. Most of the structurally characterized derivatives are organometallic compounds where the transition metals belong to the Groups 6, 8, 9 and 10. …”
Get full text

On Topological Analysis of Niobium (II) Oxide Network via Curve Fitting and Entropy Measures by Muhammad Kamran Siddiqui, Sana Javed, Sadia Khalid, Mazhar Hussain, Muhammad Shahbaz, Samuel Asefa Fufa

“…With the use of combinatorial methods, such as vertex and edge partitions, we explore the connection between atoms and bonds. Topological indices play a vital part in equipping directions to treat cancers or tumors. …”
Get full text

Tin(IV) Complexes of Schiff Base Derived from Amino Acid: Synthesis and Characteristic Spectral Studies by Robina Aman, Garima Matela

“…In these complexes, the tin(IV) centre is bonded to oxygen atom of the hydroxyl or carboxylate group. The spectra data suggest that the carboxylate group is coordinated to tin(IV) centre in monodentate manner.…”
Get full text

Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation by Feng-Wu Guo, Wen-Hao Liu, Zhi Wang, Shu-Shen Li, Lin-Wang Wang, Jun-Wei Luo

“…Here we employ the real-time time-dependent density functional theory to track the dynamic evolution of atomic and electronic structures in photoexcited VO2, revealing the emergence of a long-lived monoclinic metal phase under low electronic excitation. …”
Get full text

Ground-state flavin-dependent enzymes catalyzed enantioselective radical trifluoromethylation by Xinyu Duan, Dong Cui, Mengdi Wang, Chenlu Jin, Xiaochen Cai, Zhiguo Wang, Jian Xu

“…Experimental investigations and computational simulations demonstrate that the reaction is initiated through single-electron transfer from the ground state flavin hydroquinone (FMNhq) and quenched through hydrogen atom transfer by flavin semiquinone (FMNsq). This strategy provides an opportunity to bridge the gap between biocatalysis and organic fluorides but also introduces an alternative approach to address challenging stereoselective fluoroalkylation reactions in organic synthesis.…”
Get full text

Computational Modeling of the Interaction of Silver Nanoparticles with the Lipid Layer of the Skin by Andrea Fabara, Sebastián Cuesta, Fernanda Pilaquinga, Lorena Meneses

“…The silver clusters containing 6 atoms were proven to be the most stable complexes. …”
Get full text