Profiling and comparison of toxicant metabolites in hair and urine using a mass spectrometry-based metabolomic data processing method

2019 ◽  
Vol 1052 ◽  
pp. 84-95 ◽  
Author(s):  
Chia-Lung Shih ◽  
Hsin-Yi Wu ◽  
Pao-Mei Liao ◽  
Jen-Yi Hsu ◽  
Chia-Yun Tsao ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Data Processing ◽  
Processing Method ◽  
Data Processing Method ◽  
Metabolomic Data

scholarly journals Global Analysis the Potential Medicinal Substances of Shuangxia Decoction and the Process In Vivo via Mass Spectrometry Technology

2021 ◽  
Vol 12 ◽  
Author(s):  
Chenning Zhang ◽  
Chuanxin Liu ◽  
Hao Wu ◽  
Jiaqi Wang ◽  
Yu Sun ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Docking ◽  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
Data Processing ◽  
Rosmarinic Acid ◽  
Processing Method ◽  
Chinese Medicine Formula ◽  
Data Processing Method ◽  
Mass Spectrometry Technology

Shuangxia decoction is an effective traditional Chinese medicine formula for treating insomnia. Up to now, there has not been any report about the effective substances. An omics data processing method based on mass spectrometry technology is used to explore the chemical composition changes of Shuangxia decoction, the components absorbed into the blood and brain, and to explore the anti-insomnia mechanism based on molecular docking technology. Forty-nine chemical components in Shuangxia decoction have been identified, and 51 new components generated by co-decoction have been discovered. It was found that 7,404 compounds of Shuangxia decoction were absorbed into the blood. Forty kinds of known compounds were quickly identified, and 15 new compounds generated by co-decoction were also found to be absorbed into the blood. By using UPLC-MS/MS method, it was confirmed that 10 compounds were absorbed into the blood and 9 compounds were absorbed into the brain. Furthermore, it is found that rosmarinic acid is mainly distributed in the hypothalamus and striatum, and caffeic acid is mainly distributed in the hypothalamus, striatum, and hippocampus. Molecular docking results showed rosmarinic acid, danshensu, and HMLA with GABAA receptor have excellent binding characteristics, even surpassing the proligand. Danshensu and HMLA with dopamine D2 receptor also showed good binding energy. Our findings will help to further confirm the mechanism of Shuangxia decoction for relieving insomnia, and we also establish a novel data processing method for supplementing the mechanism of the efficacy of other traditional Chinese medicine formula.

scholarly journals MSnbase, efficient and elegant R-based processing and visualisation of raw mass spectrometry data

2020 ◽  
Author(s):  
Laurent Gatto ◽  
Sebastian Gibb ◽  
Johannes Rainer
Keyword(s):  
Mass Spectrometry ◽  
Data Processing ◽  
Method Development ◽  
Processing Method ◽  
Mass Spectrometry Data ◽  
Bioconductor Package ◽  
Commodity Hardware ◽  
Data Processing Method

AbstractWe present version 2 of the MSnbase R/Bioconductor package. MSnbase provides infrastructure for the manipulation, processing and visualisation of mass spectrometry data. We focus on the new on-disk infrastructure, that allows the handling of large raw mass spectrometry experiments on commodity hardware and illustrate how the package is used for elegant data processing, method development, and visualisation.

PENGARUH ETIKA PEGAWAI, PELAYANAN PUBLIK DAN REFORMASI BIROKRASI TERHADAP PENERAPAN ZONA INTEGRITAS PADA LAPAS MAKASSAR

2020 ◽  
Vol 2 (1) ◽  
pp. 13-15
Author(s):  
Adi Sucipto ◽  
Hasanuddin Remmang ◽  
Haeruddin Saleh
Keyword(s):  
Regression Analysis ◽  
Data Processing ◽  
Multiple Regression Analysis ◽  
Multiple Regression ◽  
Random Sampling ◽  
Public Services ◽  
Simple Random Sampling ◽  
Processing Method ◽  
Data Processing Method

Penelitian ini bertujuan menguji pengaruh Etika Pegawai, Pelayanan Publik dan Reformasi Birokrasi terhadap Penerapan Zona Integritas. Pengaruh Etika Pegawai, Pelayanan Publik dan Reformasi Birokrasi terhadap Penerapan Zona Integritas pada Lembaga Pemasyarakatan Kelas I Makassar Responden dalam penelitian ini adalah Pengunjung dan keluarga nara-pidana Lembaga Pemasyarakatan Kelas I Makassar. Jumlah pengunjung yang menjadi sampel penelitian ini adalah 55 orang. Metode penentuan sampel yang digunakan dalam penelitian ini adalah Simple Random Sampling, sedangkan metode pengolahan data yang digunakan peneliti adalah analisis regresi berganda. Hasil penelitian ini menunjukkan bahwa Etika Pegawai dan Pelayanan Publik berpengaruh signifikan terhadap Penerapan Zona Integritas di Lembaga Pemasyarakatan Kelas I Makassar.     This study examines the effect of employee ethics and the improvement of public services on the implementation of the integrity zone. The effect of employee ethics, and improvement of public services on the implementation of integrity zone on Lembaga Pemasyarakatan Kelas 1 Makassar. Respondents in this study were Makassar class in penitentiary visitors. the number of visitors who sampled this study was 55 people. the method of determining the sample used in this study is simple random sampling, while the data processing method used by researchers is multiple regression analysis. the results of this study indicate that employee ethics and public services have a significant effect on the implementation of the integrity zone in Makassar class in penitentiary.

EAST-NBI experimental data processing method based on improved OPTICS algorithm

2021 ◽  
Vol 172 ◽  
pp. 112737
Author(s):  
Jinxin Wang ◽  
Zhimin Liu ◽  
Yuanzhe Zhao ◽  
Yahong Xie ◽  
Yuanlai Xie
Keyword(s):  
Experimental Data ◽  
Data Processing ◽  
Processing Method ◽  
Experimental Data Processing ◽  
Data Processing Method
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