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ACD/Labs Blog

Arvin Moser
A great skill to master is the capability to conceptualize a fragment or structure directly off a spectrum without resorting to paper-and-pen work. This skill is learnt through lots of practice. Whenever partial information is available, an elucidator can conjure up a mental image of possibilities and should it be required instinctively hunt for any...

Arvin Moser
There are many advantages in working with a 1H-13C HSQC-DEPT spectrum over a 13C DEPT-135 and a 1H-13C HSQC (see Post 1 & Post 2). In most cases, a 1H-13C HSQC-DEPT is more valuable than either one of those experiments. The aliphatic region of a 1H-13C HSQC-DEPT is spectrum below. Two coincidental carbon signals are...

Arvin Moser
Instruments can fail mechanically and when they do fail, it is important to recognize the signs. For NMR data, any irregularities in the baseline can indicate an instrument issue. The best strategy to minimize instrument failures is to perform regular maintenance and collect data for standards with well documented results prior to any data collection....

Arvin Moser
Part 1 presented a challenge to determine an experiment to distinguish two very similar products from each other, namely 3-methyl-5-(pyridin-2-yloxy)pyridine and 5′-methyl-2H-1,3′-bipyridin-2-one. The products have identical formula weights and the LC/MS and 1H NMR are too similar to draw any conclusion from. The first step is to determine what is different between the two products...

Arvin Moser
Many organic chemists—if not all—check to see if a synthetic reaction is complete via TLC and LC/MS and/or 1H NMR. At the same time, the chemists are using the analytical data to verify that the final product is what they intended on making. In some cases, LC/MS and 1H NMR do not adequately distinguish one potential product...

Arvin Moser
In this final installment of the series on Drug Development, we examine stage 4 and the effort involved in Drug Manufacturing and Process. The 4th stage begins with a large scale production of the new drug, followed by formulation studies and then ending with regulatory reviews of the entire process before the drug can be...

Arvin Moser
Drug Trials commence with in vitro and in vivo experiments on nonhuman subjects and observing the effects of the candidate drug(s). These are commonly referred to as the pre-clinical trials. Once safe and effective thresholds have been set, the candidate drug(s) can be administered to human subjects and thus begin the clinical trials. The clinical...

Arvin Moser
The main focus surrounding the Drug Design stage (see diagram in Part 1) is to optimize the hit compound(s) and produce analogues that will increase the activity at the target site. Lead optimization is accomplished through minor modifications of the hit compound. In Drug Design, medicinal chemists aim to build a diverse library of compounds...

Arvin Moser
Following the diagram presented in Part 1, the Drug Discovery stage begins with the identification of a target site that is linked to a disease. (Note: some researchers refer to this as the pre-Drug Discovery stage.) The main goal behind the Drug Discovery stage is to identify or envision a hit compound(s) that can offer...

Arvin Moser
Many new medicinal drugs produced by pharmaceutical companies follow a very similar pathway starting from the inception of the project idea and ending at the shelves of a pharmacy. Each stage in the development of the drug involves various types of chemists, each lending their expertise at synthesizing, extracting, analyzing and testing the new drug....