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Theoretical and Computational Chemistry

Hartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes

Niraj Pangeni, Chandra Shahi, John P. Perdew, Vishal Subramanian, Bikash Kanungo, Vikram Gavini, Adrienn Ruzsinszky

Biological and Medicinal Chemistry

Nitration of GlcCer and related complex lipids enhances CD1d bind-ing affinity and modulates immune responses via lipid antigen presentation to NKT cells

Kodai Sueyoshi, Nanako Kawate-Horiuchi, Kazunari Ueki, Risa Nozawa, Takanori Matsumaru, Yukari Fujimoto

Localized Cation Unlocks Unique Activity–Selectivity Trends in Molecu-lar Oxygen Reduction Catalysis

Hwi Yul Jo, Vom Kang, Dongyoung Kim, Youngchol Jeong, Jinrok Oh, Jihyun Kim, Jaeyune Ryu, Seung Jun Hwang

Chat-RFB: a flow battery chat system leveraging knowledge graphs and large language models

haotian wang, Xuefeng Bai, Zhiling Zheng, Xin Zhang, Ruipeng Jin, Hao-Tian An, Zheng-He Xie, Xiu-Liang Lv, Jian-Rong Li

Inorganic Chemistry

Studying the significance of the parameters involved in the synthesis of Y-UiO-66 to improve product yield

Micaela Richezzi, P. Rafael Donnarumma, Ashlee J. Howarth

Analytical Chemistry

Impact of charge reduction on sequence coverage of proteins by 193 nm ultraviolet photodissociation

Sean Dunham, Mohamed Gadallah, Jennifer Brodbelt

Biological and Medicinal Chemistry

Targeting CYP4A11: Discovery of Isocyanide-Containing Inhibitors for Triple-Negative Breast Cancer

Francesca Brunelli, Marianna Moro, Elisabetta Moroni, Giorgio Colombo, Ambra Grolla, Silvio Aprile, Gian Cesare TRON

Theoretical and Computational Chemistry

Chemical Hyperstructures, SuperHyperstructures, and SHv-Structures: Toward a Generalized Framework for Hierarchical Chemical Modeling

Singlet Fission Provides a Scalable Pathway to High Efficiency Silicon Photovoltaics

Marc Baldo, Nicholas Ekins-Daukes, Jessica Jiang, Phoebe Pearce, Timothy Schmidt, Murad Tayebjee

Materials Science

Workflow and Practical Guidance for Identical Location Scanning Electron Microscopy: Reliable Tracking of Localized Transformations

Blaz Tomc, Marjan Bele, Ana Rebeka Kamšek, Milena Martins, Aleš Marsel, Miha Hotko, Stefan Popović, Gregor Kapun, Črtomir Donik, Mitja Kostelec, Matjaž Godec, Nejc Hodnik, Luka Suhadolnik

Chemical Engineering and Industrial Chemistry

Photocatalytic Partial Oxidation of 4-Vinylguaiacol to Vanillin over TiO₂: A Biomimetic Approach Inspired by Spirit Aging

Daisuke Ino, Yasuhiro Hashimoto, Satoru Ito, Masayasu Iguchi

Biological and Medicinal Chemistry

ROS Sensitivity-Programmed DNA Origami Sensors for Point-of-Care Urinalysis

Shuangye Zhang, Zhe Liu, Qian Li, Qiang Xia, Ding Fei

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