Effects of alloying elements on elastic properties of Al by first-principles calculations by Wang J., Du Y., Shang S.L., Liu Z.K., Li Y.

“…A supercell consisting of 31 Al atoms and one solute atom is used. A good agreement is obtained between calculated and available experimental data. …”
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Solving Nonnative Combinatorial Optimization Problems Using Hybrid Quantum–Classical Algorithms by Jonathan Wurtz, Stefan H. Sack, Sheng-Tao Wang

“…These methods are demonstrated using a publicly available neutral-atom quantum computer on two simple problems of Max <inline-formula><tex-math notation="LaTeX">$k$</tex-math></inline-formula>-Cut and maximum independent set. …”
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Dye-Sensitized Solar Cells Prepared with Mexican Pre-Hispanic Dyes by Mario Alberto Sánchez-García, Xim Bokhimi, Sergio Velázquez Martínez, Antonio Esteban Jiménez-González

“…Carmine is an organometallic dye with two molecules of carminic acid and one atom of aluminum in its structure; it is obtained by the interaction of the carminic acid from Nocheztli with aluminum salts. …”
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Investigation on the Synthesis and Photocatalytic Property of Uranyl Complexes of the β-Diketonates Biscatecholamide Ligand by Qingchun Zhang, Bo Jin, Rufang Peng, Xiaofang Wang, Zhaotao Shi, Qiangqiang Liu, Shan Lei, Hua Liang

“…The analysis revealed that oxygen atom of β-diketonate did not bind to uranyl ion in complexes 1–3. …”
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Incorporation of Capecitabine Into Extended Chain of N-Acylated Chitosan Carrier by Anita Marlina, Misni Misran, Witta Kartika Restu

“…X-ray photoelectron spectroscopy results show that there is no nitrogen atom in ChC18, which means that the acyl group is oriented inward and bound to the stearoyl group via van der Waals forces. …”
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Analisis Kandungan Timbal pada Lipstik yang Terdaftar dan Tidak Terdaftar di Badan Pengawas Obat dan Makanan yang Dijual di Pasar Raya Kota Padang by Feby Febriatama, Endrinaldi Endrinaldi, Zelly Dia Rofinda

“…Instrumen penelitian ini adalah spektrofotometer serapan atom. Hasil studi menunjukkan 20 lipstik yang terdaftar dan 13 lipstik yang tidak terdaftar di BPOM mengandung timbal, namun masih memenuhi syarat yang telah ditentukan BPOM 2011. …”
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Integrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopy by Levente Csóka, Worakan Csoka, Ella Tirronen, Ekaterina Nikolskaya, Yrjö Hiltunen, Bunsho Ohtani

“…Specifically, we employ low-field proton nuclear magnetic resonance (H-NMR) to delve into the diverse hydrogen atom types within the cellulose molecule. The low-field H-NMR technique allows us to discern these hydrogen atoms based on their distinct chemical shifts, providing valuable insights into the various functional groups present in cellulose. …”
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Investigation on the Structure and Electrochemical Properties of La-Ce-Mg-Al-Ni Hydrogen Storage Alloy by Yuqing Qiao, Jianyi Xi, Minshou Zhao, Guangjie Shao, Yongchun Luo, Limin Wang

“…EDS analyse shows that the content of Mg is 3.48% (atom) which coincide well with the designed composition of the electrode alloy. …”
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Achieving a Near-Infrared Absorption by A−DA’D−A Type Isoindigo-Based Small Molecular Acceptors for Organic Photovoltaics by Hui Liu, Yu Wu, Dong-Nai Ye, Na Chen, Xu-Min Huang, Shi-Yong Liu

“…In this study, two A−DA’D−A type unfused ring acceptors (URAs), IDC8CP-IC and IDC6CP-IC, were designed and synthesized using cyclopentadithiophene (CPDT) and IID core units, each functionalized with different alkyl chains (2-hexyldecyl and 2-octyldodecyl), through an atom- and step-efficient direct C–H arylation (DACH) method. …”
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Fluctuations Driven by Multicomponent Pickup Ion Distributions in the Outer Heliosheath by Ameneh Mousavi, Vadim Roytershteyn, Federico Fraternale, Nikolai Pogorelov

“…The stability of a realistic multicomponent pickup ion (PUI) velocity distribution derived from a global model of neutral atoms in the heliosphere, which treats hydrogen and helium atoms self-consistently and includes equations for electrons and helium ions, is investigated using linear instability analysis and hybrid simulations. …”
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Fabrication of a Porous Metal-Organic Framework with Polar Channels for 5-Fu Delivery and Inhibiting Human Osteosarcoma Cells by Li-Chun Zhao, Mei Tang, Qian-Hua Zhang, Zhi-Yi Hu, Hong-Wei Gao, Xia-Yun Liao, Gang Wang, Jing Leng

“…Due to the suitable window size and polar atom functionalized 1D channels, the activated 1 (1a) compound was used for the anticancer drug 5-fluorouracil (5-Fu, C4H3FN2O2) loading by a simple impregnation method. …”
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Synthesis, Characterization, Anticancer, and Antioxidant Studies of Ru(III) Complexes of Monobasic Tridentate Schiff Bases by Ikechukwu P. Ejidike, Peter A. Ajibade

“…IR spectral studies confirmed that the ligands act as tridentate chelate coordinating the metal ion through the azomethine nitrogen and phenolic oxygen atom. An octahedral geometry has been proposed for all Ru(III)-Schiff base complexes. …”
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Synthesis of 2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetamide Based Thiazolidinone Derivatives as Potent Antibacterial and Antifungal Agents by Shiv Kumar, Nitin Kumar, Sushma Drabu, Suroor Ahmed Khan, Ozair Alam, Manav Malhotra, Md. Akram Minhaj

“…Compounds 5d & 5h having p-nitrophenyl & p-trifluoromethylphenyl group respectively on 2-position of thiazolidinone ring attached to N-atom of acetamido group on 1-position of 3-methyl-1H-quinoxaline-2-one, were found to be active against all the bacterial & fungal strains under investigation, while compound 5l having p-chlorophenyl on 2-position of thiazolidinone nucleus was reported as least active compound against all bacterial & fungal strain under investigation.…”
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Simulations of pH and thermal effects on SARS-CoV-2 spike glycoprotein by Ziyuan Niu, Georgios Kementzidis, Miriam Rafailovich, Marcia Simon, Evangelos Papadopoulos, Bertal H. Aktas, Yuefan Deng

“…We performed triplicate and long-time all-atom molecular dynamics simulations to investigate the structures and dynamics of the SARS-CoV-2 spike glycoprotein (S-protein) for a broad range of pH = 1 through 11 and temperatures of 3°C through 75°C. …”
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Synthesis, Characterization and Antibacterial activity of Benzimidazole Derivatives and their Cu (ii),Ni (ii) and Co (ii) complexes by Haftom Welderufael, Dagne Addisu Kure, Endalkachew Asefa Moges, Lelisa File, Salah Hamza Sherif

“…The IR spectra of ligands and its metal complexes imply that the benzimidazol derivative ligands behave as basic bidentate ligands coordination through the azomethine nitrogen and oxygen atom. In-vitro antibacterial activity of all the synthesized ligands and their metal complexes were evaluated by using disc diffusion method against K. pneumoniae, E. coli, and S. aureus bacterial species .The tested compounds and metal complexes exhibited from good to excellent activity (zone of inhibition (ZI) ranged 10 mm to 23 mm). …”
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Quantification and optimization of platinum–molybdenum carbide interfacial sites to enhance low-temperature water-gas shift reaction by Ruiying Li, Jingyuan Shang, Fei Wang, Qing Lu, Hao Yan, Yongxiao Tuo, Yibin Liu, Xiang Feng, Xiaobo Chen, De Chen, Chaohe Yang

“…By combining sacrificial CO adsorption per Pt atom, Density Functional Theory calculations, and CO chemisorption measurements, we establish a direct correlation between the monolayer Pt nanocluster size and the number of interfacial perimeters on Pt/α-MoC1-x catalysts. …”
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Synthesis, Characterization and Antibacterial activity of Benzimidazole Derivatives and their Cu (ii),Ni (ii) and Co (ii) complexes by Haftom Welderufael, Dagne Addisu Kure, Endalkachew Asefa Moges, Lelisa File, Salah Hamza Sherif

“…The IR spectra of ligands and its metal complexes imply that the benzimidazol derivative ligands behave as basic bidentate ligands coordination through the azomethine nitrogen and oxygen atom. In-vitro antibacterial activity of all the synthesized ligands and their metal complexes were evaluated by using disc diffusion method against K. pneumoniae, E. coli, and S. aureus bacterial species .The tested compounds and metal complexes exhibited from good to excellent activity (zone of inhibition (ZI) ranged 10 mm to 23 mm). …”
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Characterizations and growth kinetics of the borided layer formed on pure nickel by molten salt electrolysis by Wang B.-X., Yuan W.-L., Wang Z.-Y., Li J.-X., Ma H.-Z., Song Y.-H.

“…Then the diffusion coefficient constant of boron atom in nickel at 1193 K, 1223 K and 1243 K was calculated accordingly and an equation was obtained to estimate the thickness of the borided layer.…”
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Measuring high-efficiency perfect composite vortex beams with reflective metasurfaces in microwave band by Hong Jing, Ni Mengyi, Zhang Zhengping, Hu Zheng-Da, Wang Jicheng, Shen Xiaopeng, Wang Xiong, Li Mengmeng, Khakhomov Sergei

“…We introduce the qualified equivalent circuit model based on the theory of transmission line to design the meta-atom of the structure. The experiments are performed to measure the far-field and near-field perfect composite vortex beams and evaluate their orbital angular momentum purity at different frequencies. …”
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Crystal structures of three salts of the triphenylsulfonium ion by Rylan Artis, Waylan Callaway, Elizabeth Heyward, Naomi Reyes, Gavin Roberts, Kaitlyn Van Ostenbridge, Clifford W. Padgett, Will E. Lynch

“…In all three compounds, the sulfur atom in the triphenylsulfonium cation adopts a distorted trigonal–pyramidal geometry. …”
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