Ab initio insights into hydrogen-rich polynuclear non-metallic superalkali cations [0.03%]
从头算氢丰富多核非金属超碱阳离子的见解
Ambrish Kumar Srivastava
Ambrish Kumar Srivastava
Superalkalis are defined as the species having lower ionisation energies (IEs) than alkali atoms or the cations having lower electron affinities than alkali cations. Typical examples include FLi2 +, OLi3 +, NLi4 +, etc., which can be repres...
Synergistic adsorption of berberine onto ball-milled biochar-montmorillonite composites derived from traditional Chinese medicine residue: performance, mechanism, and regeneration [0.03%]
传统中药废弃物衍生的球磨生物炭-蒙脱石复合材料对小分子黄连素的协同吸附性能、机制及再生性研究
Wanzheng Ma,Wenqiang Wang,Lanqing Li et al.
Wanzheng Ma et al.
The accumulation of root-exuded berberine (BER) in soil is a key contributor to continuous cropping obstacles, threatening sustainable agriculture. In this study, a novel biochar-montmorillonite composite was synthesized via co-ball milling...
Editorial: Dynamics and functional exploration of pharmacologically active proteins [0.03%]
述评：药用活性蛋白质的动态和功能探索
Zhenlu Li,Camelia Bala,Liqun Zhang
Zhenlu Li
Integrated EWM-RSM optimization of wine-steaming enhances the anti-inflammatory activity of Dendrobium huoshanense polysaccharides [0.03%]
集成的EWM-RSM优化蒸酒工艺增强石斛多糖的抗炎活性
Wenli Jiang,Zhengfeng Wang,Mengjuan Ye et al.
Wenli Jiang et al.
Background: Dendrobium huoshanense is a valuable medicinal herb in Traditional Chinese Medicine renowned for its polysaccharides which are considered a core pharmacological component, particularly for their anti-inflammat...
Editorial: Design of extended networks for tuning functionality of materials [0.03%]
编者按：设计扩展网络以调节材料功能
Eugeny V Alexandrov,Alexey E Kuznetsov,Yuanzuo Li
Eugeny V Alexandrov
Molecular dynamics simulations for understanding dual ubiquitination mechanisms to consider S-phase kinase-associated protein 2 (SKP2) as a potential drug target in breast cancer [0.03%]
用于研究乳腺癌中药物靶标S期激酶关联蛋白2(SKP2)的双重泛素化机制的分子动力学模拟
Manshi Kumari Gupta,C Sudandiradoss
Manshi Kumari Gupta
Introduction: Dual ubiquitination mediated by S-phase kinase-associated protein 2 (SKP2) plays a critical role in breast cancer progression by directing substrates toward either proteasomal degradation or signaling activa...
Zhiqi Li,Hua Xin,Jincan Chen et al.
Zhiqi Li et al.
Malignant tumor is still one of the most critical diseases in clinic. Current therapeutic strategies include surgery, chemoradiotherapy, targeted therapy, and immunotherapy. Nevertheless, the development of novel drugs with superior efficac...
Enhanced climbing image nudged elastic band method with Hessian eigenmode alignment [0.03%]
基于Hessian本征模式对准的改进攀移NEB方法
Rohit Goswami,Miha Gunde,Hannes Jónsson
Rohit Goswami
Accurate determination of the transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both the initial and final states are specified, such as the climbing image nudged elastic band (CI-NEB), ide...
Chromatic hyper Zagreb topological descriptors and QSPR analysis of certain skin cancer drugs [0.03%]
基于某些皮肤癌药物的色散超扎博斯拓扑描述符及QSPR分析
R Pavithra,J Ravi Sankar
R Pavithra
Skin cancer is one of the most common diseases, and studying its drugs is important for effective treatment and drug design. Drugs for melanoma, immunosuppressants, and topical drug administration have a bright future in the investigation o...
Tailoring the architecture of BiOI microspheres for enhanced photocatalytic wastewater purification [0.03%]
用于废水净化的BiOI微球光催化剂的结构工程化研究
Yongxiang Ma,Junzhi Li,Shujie Liu et al.
Yongxiang Ma et al.
Bismuth oxyiodide (BiOI) features alternating [Bi2O2]2+ layers and double I- interlayers, which forms an intrinsic electric field that enhances charge carrier transfer and facilitates the efficient separation of photogenerated electron-hole...