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Automatic Characterization of Lipids Using Charge Remote Fragmentation Ions and Peaks Characteristic of Fatty Acid Fragmentation From MALDI MS/MS Data
Ningombam Sanjib Meitei*(1); Arun Apte(2); Dietmar Waidelich(3); Fadi Abdi(4); Matthias Glueckmann(3)

Automated identification of lipids using CRF ions and high energy MS/MS fragment ions and novel software.

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Utilization of Hydrogen Carrier Gas on a High Resolution GC-TOFMS System: An Application Compendium
Joe Binkley, David Alonso

GC-HRT methods utilizing hydrogen carrier gas were developed for analysis of representative specialty chemical, forensic, and metabolomic markets.

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Integrated platform including automated bligh and dyer extraction and dual-column
Emmanuel Varesio, Guenter Boehm, Sandra Jahn, Renzo Picenoni, Gérard Hopfgartner

• Automated Bligh and Dyer extraction for metabolomic studies.
• Dual-column UHPLC setup for the analysis of the polar and lipidic fractions.
• Alternating acidic and basic mobile phase for the separation of the polar fraction.
• Identification of unknown compounds by SWATH HR MS2 spectra acquisition.

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Deciphering Regulatory Mechanisms in M. xanthus Using Isotopic Ratio Outlier Analysis (IROA) for Metabolome-wide Quantitation
Daniel Krug 1,2, Carsten Volz 1, Aiko Barsch 3, Chris Beecher 4, Felice de Jong 4, Rolf Müller 1,2

Comprehensive study of regulation in myxobacteria with an untargeted metabolomics setup using Isotopic Ratio Outlier Analysis (IROA) and UHR-Q-TOF

Reliable relative quantitation of known and unknown metabolites from a myxobacterial mutant strain in response to induction of the transcriptional antirepressor taA

Compound identification facilitated by the use of ultra-high resolution MS and the knowledge of the number of carbons in each molecule due to IROA

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Identification and classification of antifouling compounds secreted by anti MIC microorganisms. A metabolomic analysis.
Albillos SM; Balaña-Fouce R; Montero O; Barreiro-Mendez C; Blas-Galindo E; Barros-García R; Guedella-Bustamante E; Ullán RV

BIOCORIN project, aims to develop a green alternative to the coatings and solutions used up to date for MIC corrosion control. Some of the results of this project are presented here, with the identification of several relevant antifouling compounds secreted by environmentally isolated anti-MIC strains of microorganisms via a metabolomic approach.

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Rapid Identification of Microorganisms by Touch Spray and Paper Spray Ambient Ionization
Ahmed M. Hamid, Alan K. Jarmusch, Valentina Pirro and R. Graham Cooks

The rapid and accurate identification of microorganisms is necessary in order to improve public health. Molecular-based identification allows for rapid patient treatment and provides more accurate diagnoses, two crucial aspects for successful treatment, yet a great challenge. In this work PS-MS, an existing ambient method, and TS-MS, a newly developed technique, are being utilized in the rapid discrimination of microorganisms (<2 min).

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Molecular Dynamics Simulation Study of Pulmonary Surfactant Interacting With Nanoparticles
Syed Kashif Zafar, Syed Tarique Moin and Zaheer-ul-Haq

MD simulation studies using NAMD of lipid bilayers supported on alpha-quartz (nanoparticles) and kaolinite with explicit water molecules will be presented to understand the physiochemical effects of nanoparticles on pulmonary surfactant.

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Transforming Analytical Data into Knowledge with Software for Metabolite Studies
Tara Sinclair, Graham A. McGibbon and Susan Ling

ACD/Labs has been developing specialized software for chemical and pharmaceutical research for over 16 years. Their expertise includes multi-technique, multi-instrument data handling, knowledge management of analytical and separations data, chemical drawing, and prediction software for a range of chemical properties as well as spectra and chromatograms.

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QSAR Model of Regioselectivity of Metabolism in Human Liver Microsomes: Development, Validation, Comparison and Adaptation to Novel Compounds
Justas Dapkunas, Andrius Sazonovas and Pranas Japertas

Analytical identification of metabolites for a drug candidate is usually a time consuming and low-throughput task which is performed only in late drug development phases. Therefore the ability to predict possible sites of human liver microsomal metabolism using in silico techniques would be highly beneficial for any medicinal chemist.

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Showing Results 11 - 20 of 67
Scientific News
How Cell Growth Triggers Cell Division
Researchers in Jan Skotheim's lab have discovered a previously unknown mechanism that controls how large cells grow, an insight that could one day provide insight into attacking diseases such as cancer.
Metabolomic Platform Reveals Fundamental Flaw in Common Lab Technology
A new study led by scientists at The Scripps Research Institute (TSRI) shows that a technology used in thousands of laboratories, called gas chromatography mass spectrometry (GC-MS), fundamentally alters the samples it analyzes.
Newly Identified Biochemical Pathway Could Be Target for Insulin Control
Researchers at Duke Medicine and the University of Alberta are reporting the identification of a new biochemical pathway to control insulin secretion from islet beta cells in the pancreas, establishing a potential target for insulin control.
Dirty,Crusty Meals Fit for (Long-Dormant) Microbes
Researchers apply the latest analytical techniques to further our understanding of desert biocrusts.
CSI -- On The Metabolite's Trail
Bioinformaticians at the University of Jena make the most efficient search engine for molecular structures available online.
Developing a Breathalyzer-Type Low Blood Sugar Warning Device For Diabetes
A multidisciplinary team of researchers at Indiana University-Purdue University Indianapolis has been awarded a $738,000 National Science Foundation grant to develop a breathalyzer-type device to detect the onset of hypoglycemia, or low blood sugar episodes, in people with diabetes.
Identifying The 'Dimmer Switch' Of Diabetes
University of Alberta research gives new insight into what causes Type 2 diabetes.
10 to 1: Bugs Win in NASA study
Bugs are winning out, and that's a good thing according to NASA's Human Research Program.
MYC Oncogene Disrupts Cancers Rhythm
Findings inform time-dependent treatment for reducing side effects and increasing effectiveness of cancer medications.
Keeping Gut Bacteria in Balance Could Help Delay Age-related Diseases
A new study suggests that analyzing intestinal bacteria could be a promising way to predict health outcomes as we age.
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