Top 10 archive

Top 10 · Monday, 9 November 2026

  1. 1
    Structural Biology No graphical abstract available · View at publisher ↗

    Inorganic chemistry ·

    Crystal Structure and Bioinspired Reactivity of an Ambient-Stable Mononuclear Copper(III)-Azide Complex.

    Alok Panigrahi, Chinmay Parida, Prasenjit Mondal

    Abstract

    The synthesis, stabilization, and structural characterization of high-valent copper complexes are critical for understanding biological and chemical oxidation processes and for developing new catalytic transformations. Herein, we report the ambient generation of a novel terminal mononuclear CuIII-N3 complex supported by a dicarboxamide ligand, H2L (H2L = N,N'-(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamide). The electronic and structural features of the terminal azide ligand play a crucial… Read full abstract

    Why this paper?
    • Freshness 64% (16 h old)
    • Chemistry relevance 97%
    • Novelty language used by the authors: novel, new class
    • Methodological evidence mentioned: crystal structure, x-ray, single-crystal
    • Detailed abstract available

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  2. 2
    Theoretical & Computational Chemistry No graphical abstract available · View at publisher ↗

    Tropical life sciences research ·

    Antioxidant Metabolites from Justicia gendarussa Fractions based on UHPLC-Q-Orbitrap-HRMS Metabolomics and Density Functional Theory Approach.

    Faizal Maulana, Waras Nurcholis, Trivadila, Irmanida Batubara

    Abstract

    The herb Justicia gendarussa, known as gendarussa, has the potential as an antioxidant. A previous study has identified that ethanol extract from J. gendarussa has the highest antioxidant activity. The study profiled the metabolites of n-hexane, ethyl acetate, n-butanol and water fractions of its ethanol extract using ultrahigh performance liquid chromatography-high resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS). The antioxidant capacities of… Read full abstract

    Why this paper?
    • Freshness 97% (1 h old)
    • Chemistry relevance 92%
    • Methodological evidence mentioned: density functional, dft, in vitro, in vivo
    • 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 ·

    Janus Dumbbell Ru-Pt Nanoparticles on Titanium Oxynitride Boost Hydrogen Evolution Across pH.

    Mejrema Nuhanović, Ivan Marić, Marjan Bele, Milena Šetka, Francisco Ruiz-Zepeda … Milutin Smiljanić (10 authors)

    Abstract

    While platinum nanocatalysts exhibit outstanding activity for the hydrogen evolution reaction (HER), their high cost and scarcity underscore the need to develop more efficient and sustainable alternatives. This work reports a highly active, stable, and cost-effective electrocatalytic composite for HER consisting of bimetallic Janus dumbbell Ru─Pt nanoparticles deposited on a titanium oxynitride-graphene support (Ru─Pt/TiON─C). Ru─Pt/TiON─C nanocomposite with particularly low metal… Read full abstract

    Why this paper?
    • Freshness 100% (0 h old)
    • Chemistry relevance 100%
    • Methodological evidence mentioned: benchmark, x-ray, density functional
    • Detailed abstract available

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  4. 4
    Drug Discovery No graphical abstract available · View at publisher ↗

    Biophysics reports ·

    A computational-experimental strategy identifies K-7174 against African swine fever.

    Bozhang Sun, Fei Xi, Zhirui Liu, Huanan Liu, Haiyang Song … Guoliang Zhu (9 authors)

    Abstract

    African swine fever (ASF), caused by the African swine fever virus (ASFV), poses a catastrophic threat to global swine production due to the absence of effective vaccines or therapeutics. Targeting the virally encoded RNA polymerase (RNAP), which is essential for viral transcription, offers a promising antiviral strategy. Capitalizing on our previously resolved high-resolution structure of ASFV RNAP, we conducted a… Read full abstract

    Why this paper?
    • Freshness 97% (1 h old)
    • Chemistry relevance 77%
    • Novelty language used by the authors: discovery of
    • Methodological evidence mentioned: in vitro, cryo-em
    • Detailed abstract available
    • Open access

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

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  5. 5
    Medicinal & Pharmaceutical Chemistry Graphical abstract not licensed for reuse · View at publisher ↗

    International journal of nanomedicine ·

    Advanced Nanocarriers for Delivering Traditional Chinese Medicine Monomers in Rheumatoid Arthritis: Prospects and Challenges.

    Hainan Yu, Zhixing He

    Abstract

    Rheumatoid arthritis (RA) is an auto-immune disease that is accompanied by constant inflammation and degradation of joints, causing disabilities and poor quality of life. Even though the available therapies alleviate symptoms, long-term use is often linked with loss of effectiveness, systemic toxicity, and poor patient compliance. Recently, bioactive monomers that can be extracted from Traditional Chinese Medicine (TCM) gained attention… Read full abstract

    Why this paper?
    • Freshness 97% (1 h old)
    • Chemistry relevance 89%
    • Novelty language used by the authors: novel
    • Methodological evidence mentioned: in vitro, in vivo
    • Detailed abstract available

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

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

    RSC advances ·

    Azine-NNN-Pd(ii) pincer complex catalyzed synthesis of haloquinolines and their diversification via Suzuki coupling to access ester and acid functionalized quinoline derivatives.

    Shivkanya M Bhujbal, Pratham Mahato, Govinddas M Vaishnav, Aabid A Wani, Prasad V Bharatam

    Abstract

    Quinolines and their derivatives are an important class of N-heterocycles that exhibit a wide range of biological activities. The development of efficient synthetic methodologies for constructing and functionalizing quinoline frameworks has attracted significant attention. Earlier, it was reported that the azine-based NNN(Pd)-pincer complex (C1) can be useful in acceptorless dehydrogenative coupling (ADC) and the borrowing hydrogen process (BHP). In this… Read full abstract

    Why this paper?
    • Freshness 98% (1 h old)
    • Chemistry relevance 100%
    • Methodological evidence mentioned: single-crystal, x-ray
    • Detailed abstract available
    • Open access

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

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  7. 7
    AI & Machine Learning in Chemistry No graphical abstract available · View at publisher ↗

    Journal of chemical information and modeling ·

    Machine Learning Predictions of Experimental Mössbauer Properties of Fe-Containing Molecular Complexes and Protein Models.

    Ioannis Skoulidas, Somayeh Tavasolikejani, Daisy Morgan, Jia-Min Chu, Yong Zhang

    Abstract

    Mössbauer spectroscopy is among the best techniques for probing molecular structures of iron complexes and proteins. Extracting structural insights from experimental spectra often necessitates accurate DFT predictions of isomer shift (IS) and quadrupole splitting (QS) parameters. However, substantial computational cost and sensitivity to the choice of functional and basis set limit their utility for high-throughput structural screening. To address this… Read full abstract

    Why this paper?
    • Freshness 64% (16 h old)
    • Chemistry relevance 100%
    • Novelty language used by the authors: first, novel
    • Methodological evidence mentioned: dft
    • Detailed abstract available

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

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

    Chemical communications (Cambridge, England) ·

    Perovskite catalytic membranes for water treatment: design, mechanisms, and future directions.

    Jinzuo Liu, Yingjie Xia, Guangyong Zeng, Chong-Chen Wang

    Abstract

    Perovskite materials have been widely applied in various fields owing to their tunable structures, high catalytic efficiency, and stable properties. In recent years, studies have integrated perovskite catalysts with membrane separation processes, enabling simultaneous retention and in situ decomposition of pollutants. This review first summarizes the preparation methods of perovskite catalysts, with a focus on their structural characteristics, electronic modulation… Read full abstract

    Why this paper?
    • Freshness 64% (16 h old)
    • Chemistry relevance 100%
    • Novelty language used by the authors: first, novel
    • Methodological evidence mentioned: in situ
    • Detailed abstract available

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

    DOI ↗
  9. 9
    Physical Chemistry No graphical abstract available · View at publisher ↗

    Journal of the American Chemical Society ·

    Unveiling π-Radical Induced Regioselective Pathways in On-Surface Synthesis of Kekulene-Hexaone.

    Xuechao Li, Shiqi Wang, Pingo Mutombo, Chaojie Xu, Zhuoran Wang … Lifeng Chi (11 authors)

    Abstract

    On-surface synthesized nanographene and aromatic architectures featuring π-radicals have attracted widespread research interest in recent years. However, the role of delocalized π-electrons in governing the reactivity and regioselectivity of radical-involving reactions, such as cyclodehydrogenation, remains underexplored. In this manuscript, we investigated on-surface reactions of tricyclo(dimethoxy-vinyl-phenanthrene) on Au(111). Following multistep demethylation and cyclodehydrogenation, kekulene-hexaone (KeO) has been successfully synthesized. However, systematic… Read full abstract

    Why this paper?
    • Freshness 97% (1 h old)
    • Chemistry relevance 77%
    • Novelty language used by the authors: first, novel
    • Methodological evidence mentioned: x-ray
    • Detailed abstract available

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

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

    Bioorganic chemistry ·

    Novel 4-Anilinopyrimidine-N-Acylhydrazone derivatives as dual EGFRWT/VEGFR-2 tyrosine kinase inhibitors against non-small cell lung Cancer: Design, synthesis, biological evaluation, and computational studies.

    Tamer H Ibrahim, Hanan H Kadry, Khaled O Mohamed, Yasser M Loksha, Rehab S Nasrallah, Mohamed T M Nemr

    Abstract

    Two new series of 4-Anilinopyrimidine-N-acylhydrazone derivatives (7a-k and 9a-e) were designed and synthesized as potent dual EGFRWT/VEGFR-2 tyrosine kinase inhibitors. The in vitro antiproliferative activity of the compounds against MDA-MB-231, HepG2 and A549 cancer cell lines revealed derivatives 7e, 7i, 7k, 9a, and 9e were the most active, showing potent cytotoxicity against A549 NSCLC cells with IC50 values in the… Read full abstract

    Why this paper?
    • Freshness 97% (1 h old)
    • Chemistry relevance 100%
    • Novelty language used by the authors: novel
    • Methodological evidence mentioned: in vitro
    • Detailed abstract available

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

    DOI ↗