Effect of Glycoconjugation on Cytotoxicity and Selectivity of 8-Aminoquinoline Derivatives Compared to 8-Hydroxyquinoline by Gabriela Pastuch-Gawołek, Julia Szreder

“…In this study, our objective was to improve the selectivity of glycoconjugates by replacing the oxygen atom with nitrogen by substituting the 8-HQ moiety with 8-aminoquinoline (8-AQ). …”
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Laser-induced degradation of organophosphorus compounds by Polonca Trebše, Mladen Franko

“…This transformation involves oxidation of the sulphur atom to the sulphate anion.…”
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Dispersive Sweatt Model for Broadband Lens Design with Metasurfaces by Weiyu Chen, Ko-Han Shih, C. Kyle Renshaw

“…We introduce a new dispersive Sweatt model (DSM) that can describe meta-atom (MA) dispersion, which has material and geometric contributions in addition to diffraction. …”
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Are in-medium quark-gluon showers strongly coupled? results in the large-N f limit by Peter Arnold, Omar Elgedawy, Shahin Iqbal

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First-Principles Calculation and Analysis of the Magnetic and Mechanical Properties of Mo₂C with Vacancy Defects and Substitutional Doping by Xiaoliang Qing, Jing Guo, Xiaoxiao Liu, Qian Zhang, Tammam Kaid, Nathan Outterside, Cong Tang, Li Wang, Qingxiang Yang, Xuejun Ren

“…The changes in key magnetic properties (local and total magnetic moments) associated with different point substitutional doping elements are comparatively analysed with reference to the data of Mulliken atomic charge, bond population, density of states (DOS) and band structures. …”
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Mineral Plastics and Gels from Multi‐Arm Ionomers by Neta Shimony, Adi Gross, Boaz Mizrahi

“…A 4‐arm poly(acrylic acid) is synthesized via atom transfer radical polymerization and is reacted with divalent calcium ions to obtain semi‐liquid hydrogel or degradable plastic when dried. …”
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Synthesis and crystal structure of anti-10-(4-cyanophenyl)-10,11,22,23-tetrahydro-9H,21H-5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16-a:5,6-a′]diindole dichloromethane... by Koji Kubono, Keita Tani, Yukiyasu Kashiwagi

“…The two carbazole ring systems are slightly bent, and the C atoms at the 3- and 1-positions show the largest deviations from the mean planes. …”
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Clarification of shear deformation behavior in Fe–Si amorphous alloys by molecular dynamics by Chieko Kuji, Narumasa Miyazaki, Masayoshi Mizutani, Keita Shimada, Nobuki Ozawa, Momoji Kubo, Tsunemoto Kuriyagawa

“…Two Fe85Si15 amorphous alloy models were created based on molecular dynamics with different cooling rates of 1010 K/s (slower model) and 1012 K/s (faster model) and examined the effects of atomic structure on the mechanical properties and shear band (SB) propagation behavior, which determines the shear processing quality. …”
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Unveiling the influence mechanism of La alloy on the oxidation behavior of Cu contact materials: A combined experimental and density functional investigation by Bingtian Li, Zhenjie Guan, AnRan Li, Ziyao Chen, Weijian Li, Liang Zhen, Wenzhu Shao

“…It reveals that the Cu6La phase with a low work function exhibits a strong affinity for the O atoms. However, the diffusion activation energy of the absorbed O is calculated to be lower in Cu6La than that of O in Cu, which is conducive to mitigate the further erosion of O on Cu matrix. …”
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Determination of Traces of Pd(II) in Spiked Samples by Using 3,4-Dihydroxybenzaldehydeisonicotinol-hydrazone as a Chelating Agent with UV Visible Spectrophotometer by S. Lakshmi Narayana, C. Ramachandraiah, A. Varada Reddy, Dongyeun Lee, Jaesool Shim

“…Comparing the results with those obtained using an atomic absorption spectrophotometer tested the validity of the method…”
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Development of an Ozone-Assisted Sample Preparation Method for the Determination of Cu and Zn in Rice Samples by Mariela Pistón, Ignacio Machado, Esteban Rodríguez-Arce, Isabel Dol

“…The obtained supernatant was ready for Cu and Zn determinations by flame atomic absorption spectrometry. Detection limits were 0.20 and 0.08 mg kg−1 for Cu and Zn, respectively, with a precision (RSD) better than 5% for both elements. …”
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Effect of Nanodiamonds on Friction Reduction Performance in Presence of Organic and Inorganic Friction Modifiers by A. K. Piya, L. Yang, N. Emami, A. Morina

“…Analysis of wear scars using High-Resolution Transmission Electron Microscopy (HRTEM), Atomic Force Microscopy (AFM) and Raman spectroscopy reveals that when NDs are fully entrapped into the formed tribofilm that contains the MoDTC-derived MoS₂ layer, the lowest friction coefficient can be achieved.…”
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Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling by Alexander Landa, Per Söderlind, John Roehling, Joseph T. McKeown

“…The density of states at the Fermi level, which is a crucial parameter in the determination of the electronic contribution to the total specific heat of liquid uranium, is calculated by ab initio all electron density functional theory (DFT) formalism applied to the atomic configurations generated by classical MD. The calculated specific heat of liquid uranium is compared with the previously calculated specific heat of solid γ-uranium at high temperatures. …”
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Dynamic and Quantitative Method of Analyzing Service Consistency Evolution Based on Extended Hierarchical Finite State Automata by Linjun Fan, Jun Tang, Yunxiang Ling, Benxian Li

“…Experimental results show that the bad reusability (17.93% on average) is the biggest influential factor, the noncomposition of atomic services (13.12%) is the second biggest one, and the service version’s confusion (1.2%) is the smallest one. …”
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Effect of Solidification Rate and Rare Earth Metal Addition on the Microstructural Characteristics and Porosity Formation in A356 Alloy by M. G. Mahmoud, A. M. Samuel, H. W. Doty, S. Valtierra, F. H. Samuel

“…It should be noted that Ce is more effective than La as an alternate modifying agent. According to the atomic radius ratio, rLa/rSi is 1.604 and rCe/rSi is 1.559, theoretically, which shows that Ce is relatively more effective than La. …”
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Synthesis of Anti-Inflammatory Drugs’ Chalcone Derivatives and a Study of Their Conformational Properties Through a Combination of Nuclear Magnetic Resonance Spectroscopy and Molec... by Nikitas Georgiou, Andromachi Tzani, Kyriaki Vavougyiou, Christos Papadopoulos, Nikolaos Eleftheriadis, Primož Šket, Demeter Tzeli, Tuomas Niemi-Aro, Anastasia Detsi, Thomas Mavromoustakos

“…After fully characterizing the “LOX–chalcone” complexes in silico, the atomic details of each chalcone’s interaction with LOX-1 and 5-LOX were revealed through Saturation Transfer Difference (STD) NMR (Nuclear Magnetic Resonance). …”
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GREEN SYNTHESIS OF SULFUR NANOPARTICLES USING ZIZIPHUS-SPINA TREE LEAVES AND THEIR ANTIBACTERIAL ACTIVITY by R. M. Hasan, M. M. Sirhan, H. Kh. Ali

“…The prepared sulfur nanoparticles were characterized using various techniques, including X-ray diffraction (XRD), infrared spectroscopy (FT-IR), scanning electron microscope (SEM), transmission electron microscope (TEM), and atomic force microscopy (AFM). XRD results showed that their average diameter was 9.26 nm and the sulfur nanoparticles were well-crystalline and highly pure. …”
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Non-thermal atmospheric pressure plasma-irradiated cysteine protects cardiac ischemia/reperfusion injury by preserving supersulfides by Akiyuki Nishimura, Tomohiro Tanaka, Kakeru Shimoda, Tomoaki Ida, Shota Sasaki, Keitaro Umezawa, Hiromi Imamura, Yasuteru Urano, Fumito Ichinose, Toshiro Kaneko, Takaaki Akaike, Motohiro Nishida

“…Growing evidence has suggested that supersulfides, formed by catenation of sulfur atoms, contribute to various biological processes involving electron transfer in cells. …”
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Ampere-level reduction of pure nitrate by electron-deficient Ru with K+ ions repelling effect by Shi-Nan Zhang, Peng Gao, Qian-Yu Liu, Zhao Zhang, Bing-Liang Leng, Jie-Sheng Chen, Xin-Hao Li

“…Consequently, the optimized electrode loaded with electron-deficient Ru atomic layers can directly produce 0.26 M ammonia solution in pure nitrate solution in 6 h, providing a high yield (74.8 mg mgcat –1 h–1) and well-maintained the Faradaic efficiency for over 120 h under ampere-level reduction.…”
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Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule by Ümit Yıldıko, Veysel Tahiroğlu, Mehmet Bağlan, Kenan Gören

“…By taking geometric structures, Highest-Energy Molecular Orbital (HOMO) and Lowest-Energy Molecular Orbital (LUMO) analysis, Mulliken Atomic Charges, Molecular Electrostatic Potential (MEPS), Nonlinear Optical (NLO) features, and Natural Bond Orbital (NBO) images of the molecule from this optimized structure were analyzed. …”
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