Top 10 archive

Top 10 · Tuesday, 10 November 2026

  1. 1
    Medicinal & Pharmaceutical Chemistry No graphical abstract available · View at publisher ↗

    bioRxiv : the preprint server for biology ·

    Development of CYP8B1-specific inhibitors for metabolic diseases.

    Zhipeng Fang, Alon Roy L Agua, Jennifer Jossart, Nisha Sharma, Xintian Lyu … Wendong Huang (20 authors)

    Abstract

    Changes in bile acids (BAs) balance lead to various metabolic diseases, yet current treatment options targeting these changes remain severely limited. CYP8B1 (cytochrome P450, family 8, subfamily B, polypeptide 1) is a liver-exclusive enzyme that controls the synthesis of 12α-hydroxylated (12α-OH) BAs. Inhibiting CYP8B1 is an attractive therapeutic strategy for attenuating 12α-OH BA levels, remodeling the gut microbiota and thereby… Read full abstract

    Why this paper?
    • Freshness 90% (4 h old)
    • Chemistry relevance 100%
    • Novelty language used by the authors: novel, first
    • Methodological evidence mentioned: x-ray, in vitro, in vivo
    • Detailed abstract available
    • Open access

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  2. 2
    Physical Chemistry Graphical abstract not licensed for reuse · View at publisher ↗

    bioRxiv : the preprint server for biology ·

    Protein Scaffolds Modulate the Electronic Structure of a Common Ketyl Radical Intermediate in Thiamine Pyrophosphate-Dependent Radical Biocatalysis: Insights from EPR and ENDOR Spectroscopy.

    Guodong Rao, Zheng Zhang, Xin Liu, Angela A Shiau, R David Britt, Yang Yang

    Abstract

    New-to-nature radical biocatalysis has emerged as a powerful strategy for asymmetric C-C bond formation, yet the enzyme-bound radical intermediates that underpin these transformations have remained largely uncharacterized. Here, we combine photobiocatalytic reaction development with multifrequency electron paramagnetic resonance (EPR), electron-nuclear double resonance (ENDOR) spectros-copy, and density functional theory (DFT) calculations to elucidate the ketyl radical intermediates formed during thiamine pyrophosphate… Read full abstract

    Why this paper?
    • Freshness 80% (8 h old)
    • Chemistry relevance 100%
    • Novelty language used by the authors: first
    • Methodological evidence mentioned: density functional, dft
    • Detailed abstract available
    • Open access

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

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  3. 3
    Electrochemistry Graphical abstract not licensed for reuse · View at publisher ↗

    ChemSusChem ·

    Multimodal Machine Learning and AI-Accelerated Electrocatalytic CO2 Reduction Towards Self-Interpretable Discovery Loops.

    Shuhao Wang, Dazhi Yao, Aoni Xu, Qian Sun, Chuan Zhao

    Abstract

    Electrochemical CO2 reduction (CO2RR) converts renewable electricity into fuels and chemicals, but experimental chemists still struggle to track the structural evolution of CO2RR catalysts under reaction conditions and systematically optimize intertwined factors governing performance. However, interface dynamics under bias and reaction networks are complex, data are scattered across techniques and papers, and many catalyst "design rules" remain qualitative. Herein, we… Read full abstract

    Why this paper?
    • Freshness 100% (0 h old)
    • Chemistry relevance 100%
    • Novelty language used by the authors: first
    • Methodological evidence mentioned: operando
    • Detailed abstract available
    • Open access

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

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  4. 4
    Theoretical & Computational Chemistry No graphical abstract available · View at publisher ↗

    Journal of molecular modeling ·

    Electronic, optical and thermodynamic properties of ZnO monolayer under hydrostatic pressures: a first-principles study.

    Sravanthi Jalasutram, Ball Mukund Mani Tripathi

    Abstract

    CONTEXT: First-principles density functional theory (DFT) calculations were performed to investigate the electronic, optical, and thermodynamic properties of a ZnO monolayer under hydrostatic pressures ranging from 0 to 40 GPa. The values of bond lengths, energy band gap, and dielectric constant were deduced for the first time using the theoretical plasmon calculations, show good agreement with the computed and reported… Read full abstract

    Why this paper?
    • Freshness 90% (4 h old)
    • Chemistry relevance 84%
    • Novelty language used by the authors: first
    • Methodological evidence mentioned: density functional, dft
    • Detailed abstract available
    • Open access

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

    DOI ↗
  5. 5
    Theoretical & Computational Chemistry No graphical abstract available · View at publisher ↗

    Acta crystallographica. Section E, Crystallographic communications ·

    Crystal structure analysis, Hirshfeld surface analysis and DFT calculations of a one-dimensional neutral manganese(II) coordination polymer [(CH3)3NH][MnCl2(H2O)2]Cl.

    Zhangran Gao, Jiawei Li, Jinwu Zheng, KaiXue Jie

    Abstract

    The crystal structure of tri-methyl-ammonium manganese(II) chloride dihydrate or catena-poly[tri-methyl-ammonium [[di-aqua-manganese(II)]-di-μ-chlorido] chloride], {[(CH3)3NH][MnCl2(H2O)2]Cl} n (1), originally reported by Caputo et al. (1976 ▸). Acta Cryst. B32, 2639-2642], has been redetermined at 100 K. The structure retains the ortho-rhom-bic space group Pnma and the coordination connectivity of the previously reported room-temperature structure. Each MnII ion lies on an inversion centre and… Read full abstract

    Why this paper?
    • Freshness 70% (13 h old)
    • Chemistry relevance 100%
    • Methodological evidence mentioned: crystal structure, dft, density functional
    • Detailed abstract available
    • Open access

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

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  6. 6
    Analytical Chemistry No graphical abstract available · View at publisher ↗

    medRxiv : the preprint server for health sciences ·

    Community-Level Wastewater Surveillance of Nicotine Biomarkers Tracks Cardiovascular Disease Burden and Myocardial Infarction.

    Katherine M Joseph, Xuan Qin, Katelyn M Clark, Feng Li, Emily Hartmann … Fuqing Wu (13 authors)

    Abstract

    BACKGROUND: Tobacco smoking is the largest modifiable contributor to cardiovascular disease (CVD), yet population-level surveillance still relies on self-reported and retail data, which are subject to measuring bias and lag. Urinary and salivary cotinine quantify individual tobacco exposure, but no analogous, objective metric exists at the community level. Wastewater-based epidemiology (WBE) has transformed surveillance of infectious diseases and illicit drug… Read full abstract

    Why this paper?
    • Freshness 90% (4 h old)
    • Chemistry relevance 75%
    • Novelty language used by the authors: first, novel
    • Detailed abstract available
    • Open access

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

    DOI ↗
  7. 7
    Biochemistry Graphical abstract not licensed for reuse · View at publisher ↗

    Research square ·

    A Novel ACLY Inhibitor Induces Transcriptional and Metabolic Reprogramming to Overcome Tyrosine kinase inhibitor Resistance in Lymphoma.

    Nagarajan Pattabiraman, Cosimo Lobello, David Rushmore, Shengchun Wang, Luca Mologni … Johnvesly Basappa (12 authors)

    Abstract

    BACKGROUND: Metabolic plasticity contributes to therapeutic resistance in T-cell lymphoma, but the metabolic dependencies underlying tyrosine kinase inhibitor (TKI) resistance remain poorly understood. ATP citrate lyase (ACLY), which converts citrate to cytosolic acetyl-CoA, links glucose metabolism to lipogenesis and acetylation-dependent regulation. We hypothesized that ACLY represents an actionable metabolic vulnerability in lymphoma. METHODS: Structure-guided drug discovery and biochemical screening were… Read full abstract

    Why this paper?
    • Freshness 90% (4 h old)
    • Chemistry relevance 100%
    • Novelty language used by the authors: novel
    • Detailed abstract available
    • Open access

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

    DOI ↗
  8. 8
    Nanotechnology No graphical abstract available · View at publisher ↗

    Cytotechnology ·

    Chitosan-coated cerium oxide nanoparticles: enhanced antioxidant activity with increased hemolytic activity.

    Zahraa M Romi, Mais Emad Ahmed

    Abstract

    Cerium oxide nanoparticles (CeO₂ NPs) have attracted considerable interest because of their redox-related antioxidant properties, while surface modification with chitosan may alter their physicochemical and biological behavior. However, the balance between antioxidant activity and hemocompatibility following chitosan association remains insufficiently characterized. In this study, CeO₂ NPs were synthesized using a chemical precipitation method and subsequently associated with chitosan. The physicochemical… Read full abstract

    Why this paper?
    • Freshness 70% (13 h old)
    • Chemistry relevance 100%
    • Methodological evidence mentioned: statistically significant, in vivo
    • Detailed abstract available
    • Open access

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

    DOI ↗
  9. 9
    Graphical abstract for: Intrinsic Redox-Responsive NIR-II Lanthanide Luminescent Nanoprobes Enabled by Phonon-Assisted Cooperative Quenching for Reversible Redox Imaging In Vivo.
    © Wiley

    Angewandte Chemie (International ed. in English) ·

    Intrinsic Redox-Responsive NIR-II Lanthanide Luminescent Nanoprobes Enabled by Phonon-Assisted Cooperative Quenching for Reversible Redox Imaging In Vivo.

    Pengrui Wang, Rong Zhao, Hao Wang, Xiaohe Li, Jian-Ren Liu, Xingjun Zhu

    Abstract

    Lanthanide nanoparticles (LnNPs) are photostable second near-infrared window (NIR-II) emitters well suited to long-term redox imaging. However, responsive LnNP nanoprobes generally require surface-installed molecular recognition components to transduce chemical changes into luminescence signals, which may introduce additional functionalization complexity and compromise long-term signal reliability. Here, we identify a redox-regulated phonon-assisted cooperative quenching (PACQ) phenomenon in NaCeF4:Nd, where Ce(III)/Ce(IV) conversion modulates… Read full abstract

    Why this paper?
    • Freshness 90% (4 h old)
    • Chemistry relevance 100%
    • Methodological evidence mentioned: in vivo, in vitro
    • Detailed abstract available

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

    DOI ↗
  10. 10
    Catalysis No graphical abstract available · View at publisher ↗

    Inorganic chemistry ·

    pH-Guided Design of Cu(II) Phosphonopropionate Coordination Polymers: Synthesis, Structures, Proton Conductivity, and Catalytic Properties.

    Álvaro Vílchez-Cózar, Jorge A Galindo-Larrahondo, Rosario M P Colodrero, Pascual Olivera-Pastor, Aurelio Cabeza … Marina V Kirillova (7 authors)

    Abstract

    A series of new Cu(II) phosphonopropionate coordination polymers (CPs) was obtained from reaction of CuCl2 and H3PPA (3-phosphonopropionic acid) in water under reflux conditions at different pH values (2, 3, 4, and 6). The resulting compounds, formulated as [Cu(μ4-HPPA)(μ-H2O)]n (Cu@pH2), [Cu(μ4-HPPA)(H2O)]n (Cu@pH3), [Cu(μ5-HPPA)]n (Cu@pH4), and [Cu2(PPA)(OH)]n·3nH2O (Cu@pH6), were isolated as stable microcrystalline solids and fully characterized. The crystal structures of… Read full abstract

    Why this paper?
    • Freshness 46% (28 h old)
    • Chemistry relevance 100%
    • Novelty language used by the authors: first
    • Methodological evidence mentioned: crystal structures, x-ray
    • Detailed abstract available

    Automated heuristic for discovery; not an assessment of scientific quality. How ranking works

    DOI ↗