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1. Comparison of Ce( iv )/Th( iv )-alkynyl complexes and observation of a trans -influence ligand series for Ce( iv )

   https://doi.org/10.1039/D5SC03222A  

   Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W; Gupta, Himanshu; Gau, Michael R; Carroll, Patrick J; Minasian, Stefan G; Autschbach, Jochen; et al (August 2025, Chemical Science)

   Organometallic cerium(iv) and thorium(iv) alkynyl complexes were synthesized, and compared experimentally and theoretically. A cerium(iv)trans-influence ligand series was observed and analyzed. 

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2. Generalized T _e ([O iii ])– T _e (He i ) Discrepancies in Ionized Nebulae: Possible Evidence of Case B Deviations and Temperature Inhomogeneities

   https://doi.org/10.3847/1538-4357/adc67a  

   Méndez-Delgado, J E; Skillman, E D; Aver, E; Morisset, C; Esteban, C; García-Rojas, J; Kreckel, K; Rogers, N_S J; Rosales-Ortega, F F; Arellano-Córdova, K Z; et al (June 2025, The Astrophysical Journal)

   Abstract The physics of recombination lines in the Heisinglet system is expected to be relatively simple, supported by accurate atomic models. We examine the intensities of Heisingletsλ3614, λ3965, λ5016, λ6678, and λ7281 and the triplet Heiλ5876 in various types of ionized nebulae and compare them with theoretical predictions to test the validity of the “Case B” recombination scenario and the assumption of thermal homogeneity. Our analysis includes 85 spectra from Galactic and extragalactic Hiiregions, 90 from star-forming galaxies, and 218 from planetary nebulae, all compiled by the Deep Spectra of Ionized Regions Database Extended (DESIRED-E) project. By evaluating the ratios Heiλ7281/λ6678 and Heiλ7281/λ5876, we determineT_e(Hei) and compare it with direct measurements ofT_e([Oiii]λ4363/λ5007). We find thatT_e(Hei) is systematically lower thanT_e([Oiii]) across most objects and nebula types. Additionally, we identify a correlation between the abundance discrepancy factor (ADF(O²⁺)) and the differenceT_e([Oiii]) –T_e(Hei) for planetary nebulae. We explore two potential explanations: photon loss fromn¹P → 1¹Stransitions and temperature inhomogeneities. Deviations from “Case B” may indicate photon absorption by Hirather than Heiand/or generalized ionizing photon escape, highlighting the need for detailed consideration of radiative transfer effects. If temperature inhomogeneities are widespread, identifying a common physical phenomenon affecting all ionized nebulae is crucial. Our results suggest that both scenarios can contribute to the observed discrepancies. 

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3. In silico screening of P , N -ligands facilitates optimization of Au( iii )-mediated S -arylation

   https://doi.org/10.1039/D4SC05920D  

   Treacy, Joseph W; Tilden, James_A R; Chao, Elaine Y; Fu, Zihuan; Spokoyny, Alexander M; Houk, K N; Maynard, Heather D (February 2025, Chemical Science)

   In silicoexamination of 13P,N-ligated Au(iii) OACs determined the key mechanistic factors governing Au(iii)-mediatedS-arylation. Three complexes were synthesized which exhibited bimolecular coordination rate constants as high as 20 200 M⁻¹s⁻¹. 

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4. Synthesis and cytotoxicity studies of Cu( i ) and Ag( i ) complexes based on sterically hindered β-diketonates with different degrees of fluorination

   https://doi.org/10.1039/d3dt02179c  

   Pellei, Maura; Del_Gobbo, Jo’; Caviglia, Miriam; Karade, Deepika V; Gandin, Valentina; Marzano, Cristina; Noonikara_Poyil, Anurag; Dias, H_V Rasika; Santini, Carlo (August 2023, Dalton Transactions)

   New Cu(i) and Ag(i) phosphane complexes supported by β-diketonate ligands were synthesized and evaluated for their antitumor activity by 2D and 3D cell viability studies. 

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5. Toward Robustness across Cosmological Simulation Models I llustris TNG, SIMBA, A strid , and S wift -E agle

   https://doi.org/10.3847/1538-4357/adec78  

   Jo, Yongseok; Genel, Shy; Sengupta, Anirvan; Wandelt, Benjamin; Somerville, Rachel; Villaescusa-Navarro, Francisco (September 2025, The Astrophysical Journal)

   Abstract The rapid advancement of large-scale cosmological simulations has opened new avenues for cosmological and astrophysical research. However, the increasing diversity among cosmological simulation models presents a challenge to therobustness. In this work, we develop the Model-Insensitive ESTimator (Miest), a machine that canrobustlyestimate the cosmological parameters, Ω_mandσ₈, from neural hydrogen maps of simulation models in the Cosmology and Astrophysics with MachinE Learning Simulations project—IllustrisTNG,SIMBA, Astrid, and SWIFT-Eagle. An estimator is consideredrobustif it possesses a consistent predictive power across all simulations, including those used during the training phase. We train our machine using multiple simulation models and ensure that it only extracts common features between the models while disregarding the model-specific features. This allows us to develop a novel model that is capable of accurately estimating parameters across a range of simulation models, without being biased toward any particular model. Upon the investigation of the latent space—a set of summary statistics, we find that the implementation ofrobustnessleads to the blending of latent variables across different models, demonstrating the removal of model-specific features. In comparison to a standard machine lackingrobustness, the average performance of Mieston the unseen simulations during the training phase has been improved by ∼17% for Ω_mand 38% forσ₈. By using a machine learning approach that can extractrobust, yet physical features, we hope to improve our understanding of galaxy formation and evolution in a (subgrid) model-insensitive manner, and ultimately, gain insight into the underlying physical processes responsible forrobustness. 

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