Results 71 to 80 of about 45,622 (323)

The validity of the potential model in predicting the structural, dynamical, thermodynamic properties of the unary and binary mixture of water-alcohol: Ethanol-water case

AIP Advances, 2018
Thermodynamic, dynamical, and structural properties of ethanol are numerically studied using two ethanol models: TraPPE-UA and OPLS-AA. These properties are computed with temperatures ranging from 200K to 300K, with steps of 10K, and also with different ...
Abdalla Obeidat, Rakan Al-Salman, Hind Abu-Ghazleh   +2 more
doaj   +1 more source

Directing the Mobility of Guest Molecules in Nanoporous Materials by Linearly Polarized Light

Advanced Science, EarlyView.
The polarization of light is introduced as a further parameter to dynamically and reversibly control the properties of a photoresponsive nanoporous material. It was used to control the mobility of the guest molecules in the pores of a metal–organic framework.
Taher Al Najjar, Chun Li, Yunzhe Jiang, Anna Mauri, Modan Liu, Abhinav Chandresh, Anemar Bruno Kanj, Dragos Mutruc, Wolfgang Wenzel, Stefan Hecht, Mariana Kozlowska, Lars Heinke   +11 more
wiley   +1 more source

Immune regulatory adjuvant approach to mitigate subcutaneous immunogenicity of monoclonal antibodies

Frontiers in Immunology
IntroductionImmunogenicity continues to be a challenge for development and clinical utility of monoclonal antibodies, and there are gaps in our current ability to prevent anti-drug antibody development in a safe and antigen-specific manner.MethodsTo ...
Nicole L. Jarvi, Manali Patel, Krithika A. Shetty, Nhan H. Nguyen, Brooke F. Grasperge, Donald E. Mager, Donald E. Mager, Robert M. Straubinger, Sathy V. Balu-Iyer   +8 more
doaj   +1 more source

A new electron-methanol molecule pseudopotential and its application for the solvated electron in methanol [PDF]

, 2010
A new electron–methanol molecule pseudopotential is developed and tested in the present paper. The formal development of the potential is based on quantum mechanical calculations on the electron-methanol molecule model in the static exchange ...
Mones, Letif, Turi, László
core   +1 more source

Icaritin Ameliorates Cisplatin‐Induced Mitochondrial Metabolic Dysfunction‐Associated Nephrotoxicity and Synergistically Potentiates Its Antitumor Efficacy

Advanced Science, EarlyView.
In this study, scRNA‐seq and chemoproteomics are integrated to characterize CDDP‐bound proteins at single‐cell resolution in tumor‐bearing mice. Additionally, the research demonstrates that ICA alleviates CDDP‐induced nephrotoxicity while enhancing its chemotherapeutic efficacy.
Piao Luo, Junhui Chen, Yehai An, Kun Meng, Wei Zhou, Wenhui Li, Jing Liu, Wentong Zhao, Weiyi He, Ting Cao, Jingnan Huang, Sha Feng, Shiguang Yang, Hongling Hu, Jiaxian Liao, Hengkai He, Mingjing Hao, Qian Zhang, Jigang Wang, Yue Gao   +19 more
wiley   +1 more source

Longitudinal Study of Oral Precancerous Lesions: Transformation Rate and Predictive Markers for Malignancy

Journal of Pharmacy and Bioallied Sciences
Background: One of the main risk factors for the occurrence of oral cancer is oral precancerous lesions (OPLs). Early management and preventive efforts depend on knowing the transformation rate and detecting predictive signs of malignancy. Methods: For 6
Duttatrayee Das, Anu Sumi Issac, Bhavani N. Sangala, Aldrin Jerry, Ajit Jankar, Teerthesh Jain, Rohit Kumar Singh   +6 more
doaj   +1 more source

High-resolution NMR structure of an RNA model system : the 14-mer cUUCGg tetraloop hairpin RNA [PDF]

, 2010
We present a high-resolution nuclear magnetic resonance (NMR) solution structure of a 14-mer RNA hairpin capped by cUUCGg tetraloop. This short and very stable RNA presents an important model system for the study of RNA structure and dynamics using NMR ...
Fürtig, Boris, Jonker, Hendrik R. A., Nozinovic, Senada, Richter, Christian, Schwalbe, Harald (Prof. Dr.)   +4 more
core  

The Monomer Electron Density Force Field (MEDFF) : a physically inspired model for noncovalent interactions [PDF]

, 2016
We propose a methodology to derive pairwise-additive noncovalent force fields from monomer electron densities without any empirical input. Energy expressions are based on the symmetry-adapted perturbation theory (SAPT) decomposition of interaction ...
Van Speybroeck, Veronique, Vandenbrande, Steven, Verstraelen, Toon, Waroquier, Michel   +3 more
core   +3 more sources

Perfluorooctanoic Acid Exposure Causes Macrophage Ammonia Retention and Induces Spontaneous Miscarriages

Advanced Science, EarlyView.
PFOA exposure induces pregnancy loss by promoting glutaminolysis, which further causes ammonia accumulation in macrophages. Cellular ammonia retention results in damage to mitochondria and lysosomes, which leads to cell death eventually. Impaired lysosomes also decrease the secretion of the Cathepsin B (CTSB), and attenuate macrophage infiltration and ...
Yongbo Zhao, Yijun Zhang, Hanyu Rao, Jiani Sun, Zhiyi Pan, Liping Jin, Yan Zhao   +6 more
wiley   +1 more source

Orthogonal projection to latent structures and first derivative for manipulation of PLSR and SVR chemometric models' prediction: A case study.

PLoS ONE, 2019
Novel manipulations of the well-established multivariate calibration models namely; partial least square regression (PLSR) and support vector regression (SVR) are introduced in the presented comparative study.
Fatma F Abdallah, Hany W Darwish, Ibrahim A Darwish, Ibrahim A Naguib   +3 more
doaj   +1 more source