Organotin Compound Derived from 3-Hydroxy-2-formylpyridine Semicarbazone: Synthesis, Crystal Structure, and Antiproliferative Activity by Joanna Wiecek, Dimitra Kovala-Demertzi, Zbigniew Ciunik, Joanna Wietrzyk, Maria Zervou, Mavroudis A. Demertzis

“…Two carbon atoms complete the fivefold coordination at the tin(IV) center. …”
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First-Principles Calculation of Conductivity of Ce-C Codoped SnO2 Contacts by Can Ding, Zhenjiang Gao, Xing Hu, Zhao Yuan

“…From the charge density and population analysis, the number of free electrons of Ce atoms and C atoms is redistributed after codoping. …”
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Fine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 production by Haoyu Long, Xidong Zhang, Zhenyi Zhang, Jianjun Zhang, Jiaguo Yu, Huogen Yu

“…X-ray absorption fine-structure spectroscopy and theoretical calculations reveal that increasing B-atom amount in the Ni-B x cocatalyst gradually strengthens the d-p orbital interaction between Ni3d and B2p , resulting in a consecutive d-band broadening and controllable d-band center on Ni active sites. …”
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Improving radiation tolerance with room temperature annealing of pre-existing defects by Md Hafijur Rahman, Felix Cooper, Miguel L. Crespillo, Khalid Hattar, Aman Haque, Fan Ren, Stephen Pearton, Douglas Wolfe

“…The pristine and pre-annealed diodes were exposed to 11 MeV Au ^3+ ions at different fluences to induce damage levels of 0.2, 2, 10 and 20 displacement per atom (dpa). Post irradiation characterization showed up to 10 times improvement in radiation tolerance in the pre-annealed devices.…”
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Synthesis, Characterization and In Vitro Antibacterial Studies of Organotin(IV) Complexes with 2-Hydroxyacetophenone-2-methylphenylthiosemicarbazone (H2dampt) by M. A. Salam, M. A. Affan, Ramkrishna Saha, Fasihuddin B. Ahmad, Norrihan Sam

“…Spectroscopic data suggested that H2dampt (1) is coordinated to the tin(IV) atom through the thiolate-S, azomethine-N, and phenoxide-O atoms; the coordination number of tin is five. …”
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Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobal... by Ekaterina Kinshakova, Batirbay Torambetov, Simranjeet Kaur, Jamshid Ashurov, Shakhnoza Kadirova

“…In the monoclinic crystals (space group P21/c), the cobalt(II) ion is located about a centre of symmetry and is octahedrally coordinated by two L− anions in a monodentate fashion through carboxyl O atoms and by four water molecules. A relatively strong hydrogen bond between one of the water molecules and the non-coordinating carboxylate O atom consolidates the conformation. …”
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Mechanical characterization of austenitic stainless steel under high-level ion-irradiation using nanoindentation experiment and simulation by Van-Thanh Pham, Jong-Sung Kim, Hyun Joon Eom, Changheui Jang

“…The irradiation conditions involve a targeted dose of approximately 200 displacements per atom (dpa) at 500 °C and transmission electron microscopy is employed to quantify void parameters (diameter, number density, and swelling) in irradiated specimen. …”
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Modeling predicts facile release of nitrite but not nitric oxide from the thionitrate CH3SNO2 with relevance to nitroglycerin bioactivation by Vinod Parmar, Esam A. Orabi, Ann M. English, Gilles H. Peslherbe

“…Dramatically lower barriers (ΔH ‡ calc ~ 17–21 kcal/mol) control NO2 − release from CH3SNO2 by gas-phase hydrolysis or nucleophilic attack by OH− or CH3S− on the sulfur atom within the C–S–NO2 molecular plane. Moreover, attack by either anion along the S–NO2 bond results in barrierless NO2 − release (ΔH ‡ calc ~ 0 kcal/mol) since a σ-hole (i.e., area of positive electrostatic potential) extends from this bond. …”
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Stress-Driven Evolution on Mismatched Ca2Co2O5 Oxide Material: From Geometry to the Electronic States by F. P. Zhang, Y. Sun, G. L. Zhang, X. Y. Shi, G. Q. Qin

“…The geometrical structures, phase stabilities, electron energy band structures, electron density of states, and atom recombination together with the electron conduction behaviors of the sandwiched Ca2Co2O5 with external stress of 1 GPa are intensively studied by the density functional theory method. …”
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Predicting Optimum Moisture Content by the individual and hybrid approach of machine learning by Yinghui Yang, Yahui Dai, Qunting Yang

“…To further enhance the predictive accuracy of these models, two meta-heuristic optimization techniques—Atom Search Optimization (ASO) and Reptile Search Algorithm (RSA)—are employed. …”
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Understanding noble gas incorporation in mantle minerals: an atomistic study by Alfredo Lora, Paola Patron, Alin M. Elena, Neil L. Allan, Carlos Pinilla

“…Incorporation energies, as well as atomic distances suggest that the incorporation mainly depend on the size mismatch between host and guest atoms. …”
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Donor Impurity Related Linear and Nonlinear Optical Properties of Symmetric and Asymmetric Double Triangular Quantum Dots by Emre Bahadir Al, Norshamsuri Ali, Syed Alwee Aljunid Syed Junid, Rosdisham Bin Endut, Nor Roshidah Yusof

“…The results demonstrate that the donor binding energy substantially depends on the position of the impurity and the geometry of the quantum dot and the presence and position of the donor atom has various impacts on the <inline-formula> <tex-math notation="LaTeX">$\pi $ </tex-math></inline-formula> and <inline-formula> <tex-math notation="LaTeX">$\sigma ^{\pm }$ </tex-math></inline-formula> transitions. …”
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Nafion®-Containing Solid Lipid Nanoparticles as a Tool for Anticancer Pt Delivery: Preliminary Studies by Maddalena Sguizzato, Elisabetta Esposito, Marcus Drechsler, Eleonora Gallerani, Riccardo Gavioli, Paolo Mariani, Federica Carducci, Rita Cortesi, Paola Bergamini

“…The protonation occurs selectively at nitrogen; hence protonated PTA maintains its ability to coordinate platinum via its phosphorus atom.…”
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Cu(II) and Ni(II) Complexes with New Tridentate NNS Thiosemicarbazones: Synthesis, Characterisation, DNA Interaction, and Antibacterial Activity by Dorian Polo-Cerón

“…The spectral data showed that the thiosemicarbazone behaves as an NNS tridentate ligand through the nitrogen atoms of the azomethine group and pyrazine ring and the sulphur atom of the thioamide group. …”
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Nuclear Industry in the Eyes of Russians: Trust and Its Determinants by I. A. Ankudinov, R. N. Abramov

“…Russia is one of the oldest countries with a powerful nuclear plant system, but even here the public’s attitude to the “peaceful atom” is ambiguous. Socio-political radiophobia has accompanied the development of the nuclear industry since at least the Chernobyl accident, and sociological publications that would topicalize the mood of Russian citizens, their level of anxiety and trust in nuclear energy are still sparse. …”
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Multi-frequency amplitude-programmable metasurface for multi-channel electromagnetic controls by Wu Rui Yuan, He Shi, Wu Jun Wei, Bao Lei, Cui Tie Jun

“…A square-split ring meta-atom that can achieve stable single-frequency amplitude control and multi-frequency 1 bit amplitude-programmable features is described as a proof-of-concept. …”
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Adsorption removing various basic nitrogen compounds from model diesel over allochroic silica gel by Xin Hong, Yunhe Li, Chang Gao, Yonghua Zhao, Ke Tang

“…The N–Co bond between Co in allochroic silica gel and N atom in the basic nitrogen compounds molecule played a significant role. …”
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Physicochemical and Catalytic Properties of Vanadia/Titania Catalysts. III. Acidic Properties by Th. El-Nabarawy, M.N. Alaya, S.A. Sayed Ahmed, A.M. Youssef

“…Besides reacting with Brönsted and Lewis acid sites, pyridine also underwent hydrogen bonding, with the hydrogen atom serving as a bridge between two electronegative nitrogen atoms.…”
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Rapid CO2 mineralization by zeolite via cation exchange by Abdulwahab Alqahtani, Mouadh Addassi, Hussein Hoteit, Eric Oelkers

“…Chemical analysis of reacted stilbite shows that approximately 2 Na atoms were incorporated into stilbite for each Ca atom incorporated into the precipitated calcite. …”
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Catalytic Conversion for Hydrogen Sulfide by Xiaoyu Zhou, Xiaoning Pei, Rui Wang, Tiansheng Zhao

“…The results confirmed that the transition metal ions successfully replaced the Mo atom. H7PMo11CoO39 showed that the outstanding desulfurization capacity and the H2S removal efficiency can reach more than 90% for 3 h. …”
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