Results 131 to 140 of about 38,044 (266)

Homepageerstellung für OPLs

, 2005
Die neueste Checkliste der Kommission One-Person Librarians des BIB behandelt das Thema Eine Homepage erstellen.
jplie
core  

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

, 2016
The all-atom optimized potentials for liquid simulations (OPLS-AA) force field is a popular force field for simulating biomolecules. However, the current OPLS parameters for hydrocarbons developed using short alkanes cannot reproduce the liquid ...
Rainer A. Böckmann (1847902), Kristyna Pluhackova (1847899), Shirley W. I. Siu (2095018)   +2 more
core   +1 more source

Forage chemical composition drives early metabolic shifts in ponies fed different haylages

Equine Veterinary Journal, EarlyView.
Abstract Background Rapid changes between feeds can cause dysbiosis and colic in horses. The metabolic consequences of transitioning between haylages (HY) are currently unknown. Objectives To characterise urinary and faecal metabonomics in ponies transitioned between HY varying in botanical composition and physiological age and to evaluate the speed of
M. J. S. Moore‐Colyer, S. Daniels, P. Harris   +2 more
wiley   +1 more source

Coconut Testa Flour Sub-Fractions: Correlation Between FTIR Spectral Data and α-Glucosidase Inhibitory Activities

Foods
Fourier-transform infrared spectroscopy (FTIR) serves as a rapid analytical technique to characterize food specimens chemically. The purpose of this study was to investigate the potential of FTIR combined with multivariate statistics to detect Alpha ...
Rasika Gunarathne, Savani Ulpathakumbura, Nazrim Marikkar, Lalith Jayasinghe, Jun Lu   +4 more
doaj   +1 more source

A High‐Efficiency Yet Sustainable Fresh‐Keeping Strategy Inspired by Calyx of Physalis peruviana

Exploration, EarlyView.
This study presents a sprayable, calyx‐inspired food wrap engineered for safety and sustainability using handheld electrospraying. The wrap forms a health‐critical protective barrier with high antiviral and antibacterial efficacy, excellent breathability, and long‐term fresh‐keeping performance.
Yue Zhao, Chengbang Lu, Xiaopeng Bai, Shangyi Wu, Zeyu Wang, Yuqin Hu, Binxin Liang, Danlei Sun, Yunxiang Zhang, Yingning He, Yi Yang, Shengwen Duan, Taolin Sun, Xinjie Wang, Weijie Lan, Hong Zhang, Yang Luo, Xiangyu Liang   +17 more
wiley   +1 more source

OPLS-DA score scatter plots obtained from of LCMS analysis of samples.

, 2014
A. OPLS-DA score plots of BA and normal; B. OPLS-DA score plots of with NHS and normal; C. OPLS-DA score plots of BA and NHS; D. OPLS-DA score plots of hyperbilirubinemia and normal. The fig.
Jun Zhang (48506), Lianshu Han (346650), Dongying Zhao (506682), Yongjun Zhang (124423), Zhengjuan He (506683)   +4 more
core   +1 more source

Metabolite Profiles and Antioxidant Activity of Dendrobium catenatum Under Simulated Wild Cultivation

Food Safety and Health, EarlyView.
Dendrobium catenatum grown under simulated wild cultivation showed significantly higher flavonoids and stilbenes, leading to enhanced antioxidant activity in both leaves and stems compared to facility‐grown plants. Integrated metabolomics, antioxidant assays, and network pharmacology identified Denbinobin as a key multi‐target antioxidant compound ...
Chuyun Guan, Yixin Tang, Qiaoxian Yu, Yanghui Shen, Ying Shi, Pan Wang, Jinping Si, Jingjing Liu   +7 more
wiley   +1 more source

OPLS-based multiclass classification and data-driven interclass relationship discovery

Multiclass data sets and large-scale studies are increasingly common in omics sciences, drug discovery, and clinical research due to advancements in analytical platforms.
Björkblom, Benny, Jonsson, Pär, Forsgren, Edvin, Trygg, Johan   +3 more
core   +1 more source

An improved OPLS-AA force field for carbohydrates.

, 2002
This work describes an improved version of the original OPLS-all atom (OPLS-AA) force field for carbohydrates (Damm et al., J Comp Chem 1997, 18, 1955). The improvement is achieved by applying additional scaling factors for the electrostatic interactions
Van Gunsteren WF, Damm W, Stoll S, Kony D   +3 more
core   +1 more source

Predicting Oral Cancer From Precursor Lesions: The Case for a Standardized Framework of Analysis to Improve Prediction Modeling

Head &Neck, EarlyView.
ABSTRACT Oral Cancer often occurs from the transformation of precursor lesions, and this offers an opportunity for early detection. Current methods to assess risk of precursor lesion progression to oral cancer incompletely predict risk. A multimodal framework that leverages machine learning is needed to improve prediction.
Michael E. Troka, James C. Gates
wiley   +1 more source