Theoretical study on the conformation-dependent charge transfer of the excited state of dopamine by Huan An, Asiya, Gulmire Yaermaimaiti, Bumaliya Abulimiti, Mei Xiang, Xiaoning Wang

“…Subsequently, the CAM-B3LYP/aug-cc-pVTZ method was used to excite the molecule, and the excitation types of the first five excited states of the molecule were discussed. …”
Get full text

Exploring novel and potent glycogen synthase kinase-3β inhibitors through systematic drug designing approach by Shabir Ahmad Ganai, Suma Mohan, Shahid Ahmad Padder

“…Using various techniques, we identified the molecule with PubChem CID: 11167509 as the strongest molecule for obstructing GSK-3β, which may serve as a promising therapeutic after the meticulous evaluation on diverse models.…”
Get full text

Cigarette and e-cigarette reversely regulated autophagy via distinct level of ROS in vitro by Yao Wang, Jialing Zhong, Zuyi Jin, An Luo, Zehong Wu, Xingtao Jiang, Jianwen Chen, Peiqing Liu, Min Li

Get full text

Microscopic Properties of Capacitor Insulating Oil under External Electric Field Based on Density Functional Theory by Meijuan Shi, Zhiyi Pang, Yi Li, Rui Qin

“…As the external electric field gradually increases, the potential energy of the molecule elevates leading to a decrease in stability of the molecular chain. …”
Get full text

Enhancing Akt Imaging through Targeted Reporter Expression by Limin Zhang, Mahaveer S. Bhojani, Brian D. Ross, Alnawaz Rehemtulla

“…We constructed a genetically engineered hybrid bioluminescent Akt reporter (BAR) molecule that reports on Akt serine/threonine kinase activity. …”
Get full text

A Simple Microfluidic Chip Design for Fundamental Bioseparation by Alan S. Chan, Michael K. Danquah, Dominic Agyei, Patrick G. Hartley, Yonggang Zhu

“…The retention times for dextran molecule and BSA molecule in biopolymer separation experiment were 45 s and 120 s, respectively. …”
Get full text

Integrated analysis of bioinformatics, mendelian randomization, and experimental validation reveals novel diagnostic and therapeutic targets for osteoarthritis: progesterone as a p... by Ziyu Weng, Chenzhong Wang, Bo Liu, Yi Yang, Yueqi Zhang, Chi Zhang

“…The Drug Signatures Database (DSigDB) was utilized to screen small-molecule drugs targeting these hub genes, and molecular docking analyses and molecular dynamics simulations were employed to explore and validate the binding interactions between proteins and small-molecule drugs. …”
Get full text

Discovery of a non‐nucleotide stimulator of interferon genes (STING) agonist with systemic antitumor effect by Xiyuan Wang, Zhengsheng Zhan, Zhen Wang, Yan Zhang, Kaiyan Zhao, Han Li, Xiaoqian Zhou, Yuting Guo, Fengying Fan, Jian Ding, Meiyu Geng, Xuekui Yu, Wenhu Duan, Zuoquan Xie

Get full text

Modulation of Co spin state at Co3O4 crystalline-amorphous interfaces for CO oxidation and N2O decomposition by Yunpeng Long, Xiao Zhu, Chuan Gao, Wenzhe Si, Junhua Li, Yue Peng

“…However, the mechanisms of molecule activation and spin states at interfaces remain elusive. …”
Get full text

Role of the Synthetic B1 Vitamin Sulbutiamine on Health by Bernardo Starling-Soares, Pedro Carrera-Bastos, Lucien Bettendorff

“…Only then will the full potential of this versatile molecule be identified.…”
Get full text

INFORMACINIS GENOMAS, INDIVIDO IR POPULIACIJOS GENOMAI by Jonas Rubikas

“…It is necessary to distinguish two concepts: DNA molecule (or its fragment) as a chemical substance and DNA molecule as a carrier of genetic information. …”
Get full text

INFORMACINIS GENOMAS, INDIVIDO IR POPULIACIJOS GENOMAI by Jonas Rubikas

“…It is necessary to distinguish two concepts: DNA molecule (or its fragment) as a chemical substance and DNA molecule as a carrier of genetic information. …”
Get full text

Involvement of Coenzyme Q10 in Various Neurodegenerative and Psychiatric Diseases by Alireza Ebrahimi, Amirhossein Kamyab, Sahar Hosseini, Sedigheh Ebrahimi, Soheil Ashkani-Esfahani

“…This molecule can be absorbed by the digestive system from various nutritional sources as supplements. …”
Get full text

Melatonin Reduces Inflammatory Injury Through Inhibiting NF-κB Activation in Rats With Colitis by Jun-Hua Li, Jie-Ping Yu, Hong-Gang Yu, Xi-Ming Xu, Liang-Liang Yu, Jin Liu, He-Sheng Luo

“…Expression of proinflammatory molecule and activation of NF-κB were upregulated and IκB level decreased in rats with colitis. …”
Get full text

Excitable Ras dynamics-based screens reveal RasGEFX is required for macropinocytosis and random cell migration by Koji Iwamoto, Satomi Matsuoka, Masahiro Ueda

“…Abstract Excitable systems of eukaryotic chemotaxis can generate asymmetric signals of Ras-GTP-enriched domains spontaneously to drive random cell migration without guidance cues. However, the molecules responsible for the spontaneous signal generation remain elusive. …”
Get full text

Asymmetric multi-component trifunctionalization reactions with α-Halo Rh-carbenes by Xiaoyan Yang, Xiaoyu Zhou, Wenhao Hu, Yu Qian

Get full text

Facilitating high throughput bispecific antibody production and potential applications within biopharmaceutical discovery workflows by Caitlin Fawcett, Joseph. R. Tickle, Charlotte. H. Coles

“…The conversion to bispecific modalities has usually been positioned toward the end of the discovery process and has involved small numbers of lead molecules, largely due to challenges in expressing, purifying, and analyzing large numbers of bsAbs. …”
Get full text

Crystal structure of p-xylene@silicalite-1 by In-Chul Hwang

“…The crystal structure of a highly loaded complex of silicalite-1 (SL-1) with eight molecules of p-xylene per unit cell has been solved by single-crystal X-ray diffraction. …”
Get full text

Studying the Bound State of the BK¯ System in the Bethe-Salpeter Formalism by Zhen-Yang Wang, Jing-Juan Qi, Xin-Heng Guo

“…In this work, we study the BK¯ molecule in the Bethe-Salpeter (BS) equation approach. …”
Get full text

Melatonin as an Anti-Inflammatory Agent Modulating Inflammasome Activation by Gaia Favero, Lorenzo Franceschetti, Francesca Bonomini, Luigi Fabrizio Rodella, Rita Rezzani

“…Melatonin, an endogenous indoleamine, is considered an important multitasking molecule with fundamental clinical applications. It is involved in mood modulation, sexual behavior, vasomotor control, and immunomodulation and influences energy metabolism; moreover, it acts as an oncostatic and antiaging molecule. …”
Get full text