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Chemical physics

Graph former-CL: A novel graph transformer with contrastive learning framework for enhanced drug-drug interaction prediction

Masoud Amiri, Oliya Zare

published 30 Jan 2026

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Global profiling of α-glucosidase inhibitors from Citri Reticulatae Pericarpium based on affinity ultrafiltration screening coupled with UPLC-ESI-Orbitrap-MS method

Hongping Wang, Qiong Yin, Zhaozhou Lin, Quantao Ma, Zhaohua Zhang, Jun Jia

published 13 Jan 2026

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Vinyl chloride oligomers: On the road to understand the potential toxicity of PVC nanoplastics

Esperanza Quevedo, Emiliano Perez-Sanchez, Alexis Caballero, Ana Martínez

published 12 Jan 2026

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Research on the evolution mechanism of main control factors for coalbed methane extraction

Ting Xia, Enyu Xu, Xijian Li, Shoukun Chen

published 02 Jan 2026

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Quantitative structure activity relationship (QSAR) modeling for adsorption of organic compounds by activated carbon based on Freundlich adsorption isotherm

Siyi Ding, Yefan Yang, Ting Tan, Qunshan Wei, Zhemin Shen, Qiong Liu, Xinshan Song, Yuhui Wang, Charles Nzila, Christopher W.K. Chow

published 15 Dec 2025

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Tracing low-level structures in cryo-electron tomography

Pelayo Alvarez Brecht, Francisco Aguilar-Martínez, Christian Biertümpfel, Irene Diaz, Naoko Mizuno, Antonio Martinez-Sanchez

published 12 Dec 2025

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Optimizing glycine concentration to enhance gibbsite-catalyzed abiotic humification of catechol and glucose

Kai Li, Qi Han, Jingjing Wang, Donghui Dai, Haoyu Gao, Jingwei Gao, Mingshuo Wang, Haihang Sun, Shuai Wang

published 18 Nov 2025

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Synthesis of 3-(arylamino) quinazoline-2,4(1H,3H)-dione derivatives via TBHP/I₂: Molecular docking, MD simulation, DFT, and pharmacological evaluation as MTH1 inhibitors

Moeid Goudarzi Karim, Morteza Mehrdad, Davood Gheidari, Nazanin Zahra Gheidari

published 13 Nov 2025

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Comprehensive analysis of effect of high-acid-value waste cooking oil on adhesion between aged asphalt and aggregates

Zhiyu Wang, Qiang Pei, Kunjie Li, Zhonghui Wang, Xiaodong Huo, Yongwei Wang, Yanfang Li, Shaoqi Kong

published 12 Nov 2025

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Geometric modelling of 3D pore space using curve skeleton: Application to computational microbiology of soil organic matter mineralization

Zakaria Belghali, Olivier Monga, Mouad Klai, El Hassan Abdelwahed, Lucie Druoton, Valérie Pot, Philippe C. Baveye

published 07 Nov 2025

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Plant-recycling of waste tyre rubber into asphalt binder for sustainability: Insight into physicochemical behavior during terminal production

Hongwei Zhang, Xiaoxing Zhang, Haifeng Wang, Xiong Xu

published 22 Oct 2025

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Spectroscopic and DFT techniques on the mechanism of scavenging •OH radicals by crocin

Minglei Qu, Wenhui Fang, Zhiwei Men

published 21 Oct 2025

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Re-weighted estimation of the transition probability density for second-order diffusion processes

Yue Li, Yunyan Wang, Mingtian Tang

published 16 Oct 2025

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