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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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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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Design of Mixed-Criticality Applications on Distributed Real-Time Systems
Domit?ian Ta?mas?-Selicean and Paul Pop

In this thesis, we are interested in mixed-criticality applications (both in the safety and time domains) implemented using heterogeneous processing elements (PE) interconnected using TTEthernet. We address the problem of synthesizing mixed-criticality applications on partitioned architectures, at the PE level and at the communication level.

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ChemoSoft: a new chemometric software for non-chemometricians
Christophe B.Y. Cordella

Professional applications such as those provide by some software editors and free downloadable toolboxes developed for Matlab®, R, Octave or Scilab propose many computation tools. But, to our best knowledge, very few are usable by neophytes or anyone that are not skilled with chemometrics or statistics. ChemoSoft is the first chemometric software designed for non-chemometricians.

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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

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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Identification and Characterization of Strain Specific Drug Target by Subtractive Genome Analysis of Methicillin Resistance Staphylococcus aureus
Kiran Saeed and Reaz Uddin

This study aimed to identify and characterize strain specific essential protein targets, which will eventually help in the identification of druggable proteins in two strains of MRSA by using different Bioinformatic tools and databases. We adopting a subtractive genome approach within the domain of Computational Biology.

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Reaxys Xcelerate – Less Searching. More Discovery
Keshav Dutt Sharma

Reaxys Xcelerate is a new premium version of Reaxys. Reaxys is a web based workflow tool for synthetic chemists. It is designed to support the optimization of synthetic processes and offers a valuable resource for accurate & validated experimental reaction & substance data.

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Processing and Managing Analytical Data to Extract and Share Knowledge – How Far We’ve Come and Why It’s So Hard?
Michael Boruta and Sanjivanjit K. Bhal, Advanced Chemistry Development, Inc.

This paper discusses the ACD/Spectrus Processor, the new all-in-one analytical data processing and chemical characterization software.

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GALAS Modeling Methodology Applications In The Prediction Of Drug Metabolism Related Properties
Remigijus Didziapetris, Justas Dapkunas, Andrius Sazonovas and Pranas Japertas

Analytical identification of metabolites for a drug candidate is usually a time consuming and low-throughput task and is performed only at the later phases of drug development. Therefore the possibility to predict possible sites of human liver microsomal (HLM) metabolism using in silico techniques would be a very attractive feature for any medicinal chemist.

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Showing Results 1 - 10 of 56
Scientific News
Researchers Use ‘Big Data’ Approach to Map the Relationships Between Human and Animal Diseases
EID2 database used to prevent and tackle disease outbreaks around the globe.
Genetic Pathway for Chronic Kidney Disease Revealed
Findings from the study open the door to early treatment for millions at risk for CKD.
Finding Could Revolutionize Drug Discovery
A study by researchers at IRB Barcelona reveals the existence of information highways that connect and correlate distant sites within a single protein.
Human Proteome Project Uncovers 193 Proteins Not Known to Exist
The team of international researchers reports the identification of 193 novel proteins that came from regions of the genome not predicted to code for proteins.
Pocket Science: New Mobile Application Enables DNA Analysis On The Go
The application analyses ab1(1) DNA sequencing files, enabling science professionals and amateur enthusiasts to engage in scientific analysis from the convenience of their mobile phones.
Software Could Help Predict and Eliminate Allergens
It’s well known that allergies and asthma are on the rise around the globe, with food allergies in children alone rising 50% from 1997 to 2011.
Stanford Bioengineers Create Circuit Board Modeled on the Human Brain
Development offers greater possibilities for advances in robotics and a new way of understanding the brain.
Some Long Non-Coding RNAs Are Conventional After All
Researchers have used ribosome profiling to identify several hundred long non-coding RNAs that may give rise to small peptides.
Taking Immune Cells for a Test Drive
Combining biological experimentation on human white blood cells with advanced computational methods can help explain the functional impact of human genetic variation on immune disease.
Observing Behavior of Single Molecules in Real Time
New technique developed by Stanford scientists allows observation of single molecules of protein or DNA as they bind with other molecules.
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