Bypassing P-glycoprotein mediated efflux of afatinib by cyclodextrin complexation - Evaluation of intestinal absorption and anti-cancer activity [0.03%]
使用环糊精络合物绕过afatinib介导的P-糖蛋白外排作用-评估肠道吸收和抗癌活性
Vineela Parvathaneni,Rasha S Elbatanony,Snehal K Shukla et al.
Vineela Parvathaneni et al.
A cyclodextrin complex of afatinib, a FDA-approved pan-ErbB inhibitor and known P-gp substrate, was developed to enhance its bio-activity while also reducing p-glycoprotein (P-gp) efflux, thereby improving its transport across the intestina...
Retraction notice to "The investigation of energy management and atomic interaction between coronavirus structure in the vicinity of aqueous environment of H2O molecules via molecular dynamics approach" [J. Mol. Liq. 341 (2021) 117430] [0.03%]
有关“通过分子动力学方法调查冠状病毒结构附近H2O分子液态环境中的能量管理和原子相互作用的调查”的撤稿声明[J. Mol. Liq. 341 (2021) 117430]
Hui-Hui Guo,Mohd Yazid Bajuri,Hussam Alrabaiah et al.
Hui-Hui Guo et al.
[This retracts the article DOI: 10.1016/j.molliq.2021.117430.]. © 2025 Elsevier B.V. All rights are reserved, including those for text and data mining, ...
Designing functional viologen salts with colossal ionic conductivities through counterion composition and chain length: where is the limit? [0.03%]
通过反离子组成和链长设计具有巨大离子电导率的活性维奥勒盐：界限在哪里？
Seonghyeok L Cox,Si L Chen,Jakob Smith et al.
Seonghyeok L Cox et al.
We report the synthesis, characterization, and conductivity response of five new dicationic ionic liquid (DCIL) salts featuring phenyl-extended viologen cores coupled with terminal oxyethylene groups (CH2CH2O)n of two different lengths (n =...
Self-emulsifying Nano-PND oral delivery systems of PND1186: In silico modeling for bioavailability estimation [0.03%]
基于PND1186的自乳化纳米递送系统口服给药：体外模拟预测生物利用度研究
Mukti Vats,Drishti Rathod,Henis Patel et al.
Mukti Vats et al.
Focal adhesion kinase (FAK) inhibitors have proven to aid the therapeutic potential of anti-cancer agents. PND1186 (PND) is a FAK inhibitor disrupting the oncogenic processes such as cell survival, proliferation, adhesion, migration and ang...
Peter Ogrin,Tomaz Urbic
Peter Ogrin
The density, diffusion, and structural anomalies of the simple two-dimensional model of water were determined by Monte Carlo simulations. The rose model was used which is a very simple model for explaining the origin of water properties. Ro...
Effect of Charge on the Rotation of Prolate Nitroxide Spin Probes in Room-Temperature Ionic Liquids [0.03%]
室温离子液体中带电对椭圆硝基自旋探针分子取向弛豫的影响
Meghan H O&#x;Brien,Radha Ranganathan,Dalibor Merunka et al.
Meghan H O&#x;Brien et al.
We have studied the rotational diffusion of two prolate nitroxide probes, the doubly negatively charged peroxylamine disulfonate (Frémy's salt - FS) and neutral di-tert-butyl nitroxide (DTBN), in a series of 1-alkyl-3-methylimidazolium tet...
The mechanism of self-association of human γ-D crystallin from molecular dynamics simulations [0.03%]
分子动力学模拟中人γ-D晶体蛋白自关联的机制研究
Sandi Brudar,Barbara Hribar-Lee
Sandi Brudar
The aggregation of human γ-D crystallin is associated with the age-onset cataract formation. Here, we extensively investigated the self-association mechanism of human γ-D crystallin through molecular dynamics computer simulations. By muta...
Progress and challenges of graphene and its congeners for biomedical applications [0.03%]
用于生物医学应用的石墨烯及其同系物的进步与挑战
Harshdeep Kaur,Rahul Garg,Sajan Singh et al.
Harshdeep Kaur et al.
Nanomaterials by virtue of their small size and enhanced surface area, present unique physicochemical properties that enjoy widespread applications in bioengineering, biomedicine, biotechnology, disease diagnosis, and therapy. In recent yea...
Ion influence on surface water dynamics and proton exchange at protein surfaces - A unified model for transverse and longitudinal NMR relaxation dispersion [0.03%]
离子对表面水动力学及蛋白质表面质子交换的影响——一种统一的横向和纵向NMR弛豫展宽模型
Tadeja Gao,Jean-Pierre Korb,Miha Lukšič et al.
Tadeja Gao et al.
In all biologically relevant media, proteins interact in the presence of surrounding ions, and such interactions are water-mediated. Water molecules play a crucial role in the restructuring of proteins in solution and indeed in their biolog...
Monte Carlo simulations of simple two dimensional water-alcohol mixtures [0.03%]
二维简单水-酒精混合物的蒙特卡罗模拟研究
Paulina Pršlja,Taja Žibert,Tomaz Urbic
Paulina Pršlja
Simple alcohols such as methanol and ethanol, are organic chemicals that can be used to store energy, which can be used as an alternative to fossil fuels. Each alcohol has at least one hydroxyl group attached to a carbon atom of an alkyl gr...