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2.439 Aktuelle Fachpublikationen zum Thema Software


Identification of Echinacoside Metabolites Produced by Human Intestinal Bacteria Using Ultraperformance Liquid Chromatography–Quadrupole Time-of-Flight Mass Spectrometry

24.07.2015 | Yang Li; Guisheng Zhou; Shihua Xing; Pengfei Tu; Xiaobo Li, Journal of Agricultural and Food Chemistry, 2015

Echinacoside (ECH) is one of the representative phenylethanoid glycosides. It is widely present in plants and exhibits various bioactivities. However, the extremely low oral bioavailability of ECH in rats implies that ECH may go through multiple hydrolysis steps in the gastrointestinal tract ...


AquaBridge: A novel method for systematic search of structural water molecules within the protein active sites

22.07.2015 | Arina Afanasyeva, Sergey Izmailov, Michel Grigoriev, Michael Petukhov, Journal of Computational Chemistry, 2015

We have developed a novel method for calculation of the water bridges that can be formed in the active sites of proteins in the absence or in the presence of small‐molecule ligands. We tested its efficiency on a representative set of human ATP‐binding proteins, and show that the docking accuracy ...


Eurocode method for calculating the external steelwork temperature in fire; comparative studies

22.07.2015 | Valdir Pignatta Silva, Macksuel Soares Azevedo, Fire and Materials, 2015

Summary To design a steel structure in fire is necessary to know its temperature. Using the data from many experimental fire tests, Margaret Law estimated the maximum temperature in a compartment (natural fire), the external heat transfer to steel elements and the maximum temperature value for ...


Some Factors Affecting the Molecular Weight Distribution (MWD) in Low Density Polyethylene Multizone Autoclave Polymerization Reactors

21.07.2015 | Enrique Saldívar‐Guerra, Almendra Ordaz‐Quintero, Ramiro Infante‐Martínez, Jorge Herrera‐Ordóñez, Luis Villarreal‐Cá ..., Macromolecular Reaction Engineering, 2015

Due to its complexity, free‐radical polymerization of ethylene at high pressure still remains to be fully understood. This paper investigates factors that contribute to shape the MWD, one of the main features of LDPE, such as the structure of primary chains and the reactor operation in one/two ...


Standardless Quantification of Heavy Elements by Electron Probe Microanalysis

21.07.2015 | Aurélien Moy; Claude Merlet; Olivier Dugne, Analytical Chemistry, 2015

Absolute Mα and Mβ X-ray intensities were measured for the elements Pt, Au, Pb, U, and Th by electron impact for energies ranging from 6 to 38 keV. Experimental data were obtained by measuring the X-ray intensity emitted from bulk samples with an electron microprobe using high-resolution ...


Introduce a new model for expansion behavior of thick‐walled cylinder under internal dynamic loading based on theoretical analysis

20.07.2015 | M. M. Bagheri, J. Zamani, Materialwissenschaft und Werkstofftechnik, 2015

Given the numerous applications of thick‐walled cylinders, it is important to know the behavior of these structures. There are so many relationships for cylinders and spheres under dynamic loading which have been found mainly based on other experimental models. Hence derive an analytical model ...


Thermoluminescence glow curves and deconvoluted glow peaks of Ge doped flat fibers at ultra-high doses of electron radiation

20.07.2015 | Author(s): A. Alawiah, S. Bauk, M.W. Marashdeh, K.S. Ng, H.A. Abdul-Rashid, Z. Yusoff, W. Gieszczyk, M ..., Radiation Physics and Chemistry, 2015

Publication date: August 2015 Source:Radiation Physics and Chemistry, Volume 113 Author(s): A. Alawiah, S. Bauk, M.W. Marashdeh, K.S. Ng, H.A. Abdul-Rashid, Z. Yusoff, W. Gieszczyk, M.N. Noramaliza, G.A. Mahdiraji, N. Tamchek, S.Z. Muhd-Yassin, K.A. Mat-Sharif, ...


LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors

20.07.2015 | Samo Lešnik; Tanja Štular; Boris Brus; Damijan Knez; Stanislav Gobec; Dušanka Janežič; Janez Konc, Journal of Chemical Information and Modeling, 2015

We developed LiSiCA (ligand similarity using clique algorithm)–ligand-based virtual screening software that uses a fast maximum clique algorithm to find two- and three-dimensional similarities between pairs of molecules and applied it to the discovery of novel potent butyrylcholinesterase ...


Broad screening and identification of β-agonists in feed and animal body fluid and tissues using ultra-high performance liquid chromatography-quadrupole-orbitrap high resolution mass spectrometry combined with spectra library search

20.07.2015 | Author(s): Tingting Li, Jingjing Cao, Zhen Li, Xian Wang, Pingli He, Food Chemistry, 2015

Publication date: 1 February 2016 Source:Food Chemistry, Volume 192 Author(s): Tingting Li, Jingjing Cao, Zhen Li, Xian Wang, Pingli He Broad screening and identification of β-agonists in feed, serum, urine, muscle and liver samples was achieved in a quick and highly sensitive ...


Impact of electrospinning process parameters on the measured current and fiber diameter

17.07.2015 | Siavash Sarabi‐Mianeji, Jennifer Scott, Danny J.Y.S. Pagé, Polymer Engineering and Science, 2015

In this article, polycaprolactone (PCL) nanofibres were processed by electrospinning using a 3:1 ratio of tetrahydrofuran to methanol as solvent. The solvent choice was motivated by the possibility of greener alternatives to the halogenated compounds most often used for electrospinning. The ...


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