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2.199 Aktuelle Fachpublikationen zum Thema Software

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Synthesis, and QSAR analysis of anti-oncological active spiro-alkaloids

16.12.2014 | Adel S. Girgis; Siva S. Panda; I. S. Ahmed Farag; A. M. El-Shabiny; A. M. Moustafa; Nasser S. M. Ismail; Girinath G. ..., Organic & Biomolecular Chemistry, 2014

QSAR study describes the anti-neoplastic spiro-alkaloids with relevant molecular descriptors using CODESSA III software. The dispiro[3H-indole-3,2′-pyrrolidine-3′,3′′-piperidines] 24–48 were synthesized via [3 + 2]-cycloaddition reaction of azomethine ylides, (generated in situ via ...

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Hair-based rapid analyses for multiple drugs in forensics and doping: application of dynamic multiple reaction monitoring with LC-MS/MS

13.12.2014 | Shah, Iltaf; Petroczi, Andrea; Uvacsek, Martina; Ránky, Márta; Naughton, Declan P, Chemistry Central Journal , 2014

Background: Considerable efforts are being extended to develop more effective methods to detect drugs in forensic science for applications such as preventing doping in sport. The aim of this study was to develop a sensitive and accurate method for analytes of forensic and toxicological nature in ...

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Screening for Protein Phosphorylation Using Nanoscale Reactions on Microdroplet Arrays

12.12.2014 | Simon K. Küster, Martin Pabst, Renato Zenobi, Petra S. Dittrich, Angewandte Chemie International Edition, 2014

Abstract We present a novel and straightforward screening method to detect protein phosphorylations in complex protein mixtures. A proteolytic digest is separated by a conventional nanoscale liquid chromatography (nano‐LC) separation and the eluate is immediately compartmentalized into ...

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Effects of hydrocolloids on corn starch retrogradation

12.12.2014 | Huizi He, Yayuan Zhang, Yan Hong, Zhengbiao Gu, Starch - Stärke, 2014

In this work, three kinds of hydrocolloids were used to investigate the effect of short‐term and long‐term retrogradation of corn starch to understand the mechanism of the hydrocolloid action on starch granules. Various analytical techniques, including the rapid viscosity analyzer, rheometer, ...

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Sensors, Vol. 14, Pages 24004-24028: Radio Characterization for ISM 2.4 GHz Wireless Sensor Networks for Judo Monitoring Applications

12.12.2014 | Lopez-Iturri, Peio ; Aguirre, Erik ; Azpilicueta, Leire ; Astrain, José J.; Villadangos, Jesús ; Falcone, Francisco, Sensors, 2014

In this work, the characterization of the radio channel for ISM 2.4GHz Wireless Sensor Networks (WSNs) for judo applications is presented. The environments where judo activity is held are usually complex indoor scenarios in terms of radiopropagation due to their morphology, the presence of humans ...

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Sensors, Vol. 14, Pages 24046-24097: A Survey of Middleware for Sensor and Network Virtualization

12.12.2014 | Khalid, Zubair ; Fisal, Norsheila ; Rozaini, Mohd., Sensors, 2014

Wireless Sensor Network (WSN) is leading to a new paradigm of Internet of Everything (IoE). WSNs have a wide range of applications but are usually deployed in a particular application. However, the future of WSNs lies in the aggregation and allocation of resources, serving diverse applications. ...

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Catalytic surface radical in dye-decolorizing peroxidase: A computational, spectroscopic and site-directed mutagenesis study

11.12.2014 | Linde D; Pogni R; Canellas M; Lucas F; Guallar V; Baratto M; Sinicropi A; S{a}ez-jim{e}nez V; Coscolin C; Romero A; ..., Biochemical Journal, 2014

Dye-decolorizing peroxidase (DyP) of Auricularia auricula-judae has been expressed in E. coli, as a representative for new DyP family, and subjected to mutagenesis, spectroscopic, crystallographic and computational studies. The crystal structure of DyP shows a buried haem cofactor, and surface ...

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Sensors, Vol. 14, Pages 23673-23696: Mobile Phone Middleware Architecture for Energy and Context Awareness in Location-Based Services

10.12.2014 | Galeana-Zapién, Hiram ; Torres-Huitzil, César ; Rubio-Loyola, Javier, Sensors, 2014

The disruptive innovation of smartphone technology has enabled the development of mobile sensing applications leveraged on specialized sensors embedded in the device. These novel mobile phone applications rely on advanced sensor information processes, which mainly involve raw data acquisition, ...

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pmx: Automated protein structure and topology generation for alchemical perturbations

09.12.2014 | Vytautas Gapsys, Servaas Michielssens, Daniel Seeliger, Bert L. Groot, Journal of Computational Chemistry, 2014

Computational protein design requires methods to accurately estimate free energy changes in protein stability or binding upon an amino acid mutation. From the different approaches available, molecular dynamics‐based alchemical free energy calculations are unique in their accuracy and solid ...

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Sensors, Vol. 14, Pages 23630-23649: Performance Enhancement for a GPS Vector-Tracking Loop Utilizing an Adaptive Iterated Extended Kalman Filter

09.12.2014 | Chen, Xiyuan ; Wang, Xiying ; Xu, Yuan, Sensors, 2014

This paper deals with the problem of state estimation for the vector-tracking loop of a software-defined Global Positioning System (GPS) receiver. For a nonlinear system that has the model error and white Gaussian noise, a noise statistics estimator is used to estimate the model error, and based ...

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