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Diagonal Method to Measure Synergy Among Any Number of Drugs

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Published on: June 21, 2018

Double asynchronous orthogonal sample design scheme for probing intermolecular interactions.

Jing Chen¹, Quan Bi, Shaoxuan Liu

¹Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing, P R China.

The Journal of Physical Chemistry. A

|October 13, 2012

Summary

This summary is machine-generated.

This study presents the double asynchronous orthogonal sample design (DAOSD) method for analyzing intermolecular interactions. DAOSD effectively removes spectral interference, enabling precise characterization of interactions in chemical systems.

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Area of Science:

Analytical Chemistry
Spectroscopy
Physical Chemistry

Background:

Intermolecular interactions are crucial in chemical systems.
Existing spectroscopic methods can suffer from spectral interference.
Accurate probing of these interactions requires advanced techniques.

Purpose of the Study:

Introduce a novel method, double asynchronous orthogonal sample design (DAOSD), for studying intermolecular interactions.
Demonstrate the ability of DAOSD to eliminate spectral interference.
Validate the method's applicability in real chemical systems.

Main Methods:

Developed a mathematical framework for selecting concentration series.
Utilized computer simulations on a model system with two solutes.
Applied the DAOSD approach to benzene and iodine in CCl(4) solutions.

Main Results:

Generated complementary sub-2D asynchronous spectra by removing interfering portions.
Observed characteristic cross-peak patterns in 2D asynchronous spectra.
Successfully estimated spectral parameter variations due to intermolecular interactions.

Conclusions:

DAOSD effectively probes intermolecular interactions by eliminating spectral interference.
The method allows for detailed analysis of spectral variations caused by interactions.
DAOSD is applicable to real chemical systems, as shown with benzene-iodine interactions.