Ion irradiation introduced high-density core-shell structured nanoprecipitates in FeCrNi by Yizhou Qian, Xiaolei Ma, Kangkang Wen, Siyu Chen, Yiheng Chen, Yugang Wang, Tongde Shen, Gang Sha, Chenxu Wang

“…Transmission Electron Microscopy (TEM) and Atom Probe Tomography (APT) results show the unique core-shell structure of these NPs, consisting of Cr-rich M23C6 carbides cores and Ni-rich shells. …”
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Antimicrobial Activity of the Synthesized of Copper Chalcogenide Nanoparticles by N. G. Mbewana-Ntshanka, M. J. Moloto, P. K. Mubiayi

“…The sensitivity of copper oxide nanoparticles is attributed to the smaller size of oxygen atom which strongly affects its reactivity and stability and hence very stable and highly reactive compared to sulfur and selenium.…”
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Impact of Molecular and Crystal Structure on the Melting Points in Halo-Substituted Phenyl-Quinazolinones by Ivica Đilović, Nenad Judaš, Mario Komar, Maja Molnar, Marta Počkaj, Tomislav Balić

“…Regarding the halogen atom type, the order of melting points is Cl ≈ Br > F > I for enantiopure and Br > I ≈ Cl > F for racemic compounds. …”
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Antioxidant Properties of Lapachol and Its Derivatives and Their Ability to Chelate Iron (II) Cation: DFT and QTAIM Studies by Djafarou Ngouh Pajoudoro, Daniel Lissouck, Baruch Ateba Amana, Joseph Zobo Mfomo, A. E. B. Abdallah, Alfred Aristide Flavien Toze, Désiré Bikele Mama

“…In this latter tridentate coordination in gas phase, the topological analysis of complexes exhibits the fact that the electron density is concentrated between the O3 oxygen atom of the ligand attached to Fe2+ and this metal cation. …”
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Characteristics of the IBEX Ribbon and Their Implications for a Source Region Outside the Heliopause by Sung Jun Noh, Daniel B. Reisenfeld, Lauren J. Beesley, Yue Chen, Fan Guo, Herbert O. Funsten, Paul H. Janzen, Thomas K. Kim, Asher Merrill, Dave Osthus, Nehpreet K. Walia, Eric J. Zirnstein

“…This paper presents a comprehensive exploration of the Interstellar Boundary Explorer energetic neutral atom (ENA) ribbon, focusing on its spatial and temporal variations over 14 yr. …”
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A DFT study of lithium intercalation and metallization on oxygen-vacancy containing TiO2(110) by J. Juan, M.G. Sandoval, P. Bechthold, E.A. González, P.V. Jasen

“…When N-lithium (N = 1, 2, 3) is considered in the defective system, the bonding order of Li atoms increases with the amount of adsorbed alkali metal atoms. …”
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Coordinated conformational changes in P450 decarboxylases enable hydrocarbons production from renewable feedstocks by Wesley Cardoso Generoso, Alana Helen Santana Alvarenga, Isabelle Taira Simões, Renan Yuji Miyamoto, Ricardo Rodrigues de Melo, Ederson Paulo Xavier Guilherme, Fernanda Mandelli, Clelton Aparecido Santos, Rafaela Prata, Camila Ramos dos Santos, Felippe Mariano Colombari, Mariana Abrahão Bueno Morais, Rodrigo Pimentel Fernandes, Gabriela Felix Persinoti, Mario Tyago Murakami, Leticia Maria Zanphorlin

“…Combining X-ray crystallography, molecular dynamics simulations, and machine learning, we have identified intricate molecular rearrangements within the active site that enable the Cβ atom of the substrate to approach the heme iron, thereby promoting oleate decarboxylation. …”
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The Gas-Sensing Properties of Ag-/Au-Modified Ti₃C₂T_x (T=O, F, OH) Monolayers for HCHO and C₆H₆ Gases by Xinghua Qi, Bahadar Nawab Khattak, Arif Alam, Wenfu Liu, Yingang Gui

“…Based on density functional theory calculations, this study analyzed the gas-sensing performance of Ti₃C₂T_x (T=O, F, OH) monolayers modified with precious metal atoms (Ag and Au) for HCHO and C₆H₆ gas molecules. …”
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Revealing enhanced dilution effect of conjugated polymers in partially miscible blends by Hongbo Chen, Ming Hu, Yuehua Zhao, Kaixuan Lyu, Yushuai Xu, Yuansheng Sun, Zhiyuan Xie, Jinying Huang, Dapeng Wang

“…In this work, we propose a cascade analysis by combining multiple fluorescence microscopic techniques and all‐atom molecular dynamics simulations to study the solid‐to‐solid dilution of poly[2‐methoxy‐5‐(2‐ethylhexyloxy)‐1,4‐phenylenevinylene] (MEH‐PPV) in MEH‐PPV/polystyrene (PS) blends and MEH‐PPV/poly(vinylcarbazole) (PVK) blends. …”
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<i>o</i>-Halogenation and -Alkoxylation of Phenylglycine Derivatives by Pd-Mediated C-H Functionalization: Scope and Limitations by Eduardo Laga, Sonia Nieto, Carlos Cativiela, Esteban P. Urriolabeitia

“…The reaction is general and tolerates a variety of functional groups (R₁ to R₄) at the aryl ring, the Cα, and the N atom. On the other hand, the reaction of [Pd(μ-Cl)(C₆H₃R₁C(R₂)(R₃)N(R₄)₂]₂ (<b>1</b>) with PhI(OAc)₂ in the presence of a variety of alcohols R₅OH (<b>4</b>) gives the o-alkoxylated phenylglycines C₆H₃(OR₅)R₁C(R₂)(R₃)N(R₄)₂ (<b>5</b>), also as a general process. …”
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Theoretical study of the Sb-substitution effect on the optoelectronic properties of Cs2AgBiBr6 double perovskite by Lhouceine Moulaoui, Abdelhafid Najim, Marouane Archi, Mohamed Al-Hattab, Omar Bajjou, Anass Bakour, Youssef Lachtioui, Khalid Rahmani, Bouzid Manaut

“…We analyzed the structure of the double perovskite Cs2AgBiBr6 utilizing Density Functional Theory (DFT), adding different doping concentrations of the Sb atom (Cs2AgBi1-x SbxBr6, with x = 0.0625, 0.125, 0.1875). …”
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An Exceptionally Powerful, Radiatively Driven Ultrafast Outflow in the Rapidly Accreting AGN RE J1034+396 by Chloe S. Taylor, Daniel R. Wilkins, Steven W. Allen

“…Modelling of these data confirms the presence of the UFO and constrains its equivalent hydrogen column density, log N _H /(atom cm ^−2 ) = ${21.7}_{-0.2}^{+0.1}$ . The RGS data also reveal at least two warm absorber components with a modest outflow velocity ( $168{0}_{-50}^{+40}$ km s ^−1 ). …”
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Fisiologi dan Gangguan Keseimbangan Natrium, Kalium dan Klorida serta Pemeriksaan Laboratorium by Rismawati Yaswir, Ira Ferawati

“…Hipoterjadi<br />bila konsentrasi elektrolit tersebut dalam tubuh turun lebih dari beberapa miliekuivalen dibawah nilai normal<br />dan hiper- bila konsentrasinya meningkat diatas normal.Pemeriksaan laboratorium untuk menentukan kadar<br />natrium, kalium dan klorida adalah dengan metode elektroda ion selektif, spektrofotometer emisi nyala,<br />spektrofotometer atom serapan, spektrofotometri berdasarkan aktivasi enzim, pemeriksaan kadar klorida dengan<br />metode titrasi merkurimeter, dan pemeriksaan kadar klorida dengan metode titrasi kolorimetrik-amperometrik.…”
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Molecular structures and adsorption of dyes on bismuth oxychloride surfaces using density functional theory and Monte Carlo dynamic simulation by Tadesse Lemma Wakjira, Abebe Belay Gemta, Kumneger Tadele, Gashaw Beyene Kassahun, Umer sherefedin, T. Gurumurthi, Tesfaye Feyisa

“…Moreover, the calculated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of the dyes demonstrated that they have distinct electronic characteristics, with respective values of HOMO approximately −4.25, −5.70, and −5.53 eV respectively, whereas their corresponding LUMO levels were −4.25, −5.70, and −5.53 eV, respectively. Quantum theory of atoms in molecules analysis shows three critical points (atom, bond and ring) were observed in each dye. …”
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Isothermal section of the Ni-Mn-Sb ternary system at 773K by Ao W.-Q., Yu H.-Z., Liu F.-L., Liu F.-S., Li J.-Q., Du Y., Liu S.-H., Shi C.-Y.

“…However the five single phases in the Ni-Mn system and the two binary compounds MnSb and NiSb showed more or less homogeneity ranges formed by substitution of Mn and Sb for Ni atom. The Heusler compound μ (Ni2MnSb) has L21-type ordered structure with space group Fm-3m, a = 0.6017 nm. …”
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Bromine‐Substituted Cation Anchoring to Suppress Ion Migration in Alternating Cations Intercalation‐Type Perovskite for Stable X‐Ray Detection by Lijun Xu, Qianwen Guan, Huang Ye, Jianbo Wu, Hang Li, Yaru Geng, Chengshu Zhang, Zeng‐Kui Zhu, Zhangtong Han, Qiuxiao Yin, Junhua Luo

“…Specifically, introducing Br atom forms additional intermolecular interactions (i.e., Br···π) and enhances hydrogen bonding interactions, greatly improving the structure stability. …”
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Comparison of sialic acid content in bovine and buffalo milk and meat by Michela Contò, Simona Rinaldi, Sebastiana Failla

“…Neu5Ac differs from Neu5Gc by a single oxygen atom, but humans cannot synthesize the Neu5Gc due to a genetic mutation. …”
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Surface Modification of TFC-PA RO Membrane by Grafting Hydrophilic pH Switchable Poly(Acrylic Acid) Brushes by Muhammad Asad Abbas, Shehla Mushtaq, Waqas A. Cheema, Hazim Qiblawey, Shenmin Zhu, Yao Li, Runnan Zhang, Hong Wu, Zhongyi Jiang, Rehan Sadiq, Nasir M. Ahmad

“…The grafting of pH-responsive poly(acrylic acid) (PAA) brushes was carried out on the surface of a commercial TFC-PA membrane using surface-initiated atom transfer radical polymerization (SI-ATRP). Poly(t-butyl acrylate) was polymerized through the SI-ATRP method followed by its acid hydrolysis to form PAA hydrophilic polymer brushes. …”
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Solar-driven production of renewable chemicals via biomass hydrogenation with green methanol by Guangyu Chen, Cenfeng Fu, Wenhua Zhang, Wanbing Gong, Jun Ma, Xiaomin Ji, Lisheng Qian, Xuefei Feng, Chuansheng Hu, Ran Long, Yujie Xiong

“…Here, we report a TiO2 supported Cu single-atom catalyst with a four-coordinated Cu1−O4 structure, which can be universally applied for solar-driven production of various renewable chemicals from lignocellulosic biomass-derived platform molecules with good yields using green methanol as a hydrogen donor, to address this challenge. …”
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Mixing-enthalpy modulation on phase transformation in the gradient chemical core/shell high-entropy shape-memory alloys by E-Wen Huang, Tu-Ngoc Lam, Zachary H. Aitken, Mao-Yuan Luo, Nien-En Chiang, Yuh Sun, Jo-Chi Tseng, Ching-Yu Chiang, Wan-Zhen Hsieh, Wen-Jay Lee, Yong-Wei Zhang, Peter K. Liaw, Che-Wei Tsai

“…The dendritic microstructure in Cu15Ni35Ti20(HfZr)30 exhibits the mixing enthalpy-driven pronounced composition inhomogeneity of an Ni-Hf-rich core and Cu-Zr-Ti-rich shell, demonstrated by thermodynamics calculations and second nearest-neighbor modified embedded atom method (2NN MEAM) formalism. The shell acts as an interfacial energy barrier for the stable martensitic transformation that occurred primarily in the effective Ni-Hf-rich core of the Cu15Ni35Ti20(HfZr)30. …”
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