Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example.We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations.Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers.Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.Herein we report a comprehensive study of the oxidation of diphenylmethanol using the Ley–Griffith reagents to show that the rate determining step involves a single alcohol molecule, which is oxidised by a single perruthenate anion; NMO does not appear in rate law.Your access to the NCBI website at gov has been temporarily blocked due to a possible misuse/abuse situation involving your site.
Students are encouraged to attend and present their work at national and international meetings.
Moreover, molecular information gained regarding DSB repair pathway choice could pave the way for the development of new cancer treatments strategies.
This project will involve training in standard molecular and cell biology techniques, as well as cutting edge CRISPR-Cas9 genome editing, super-resolution microscopy and in vitro biochemistry.
The faithful repair of DSBs is therefore essential, not only for the survival of our cells but also for our growth and development, as defective repair can cause many inherited human syndromes characterised by developmental abnormalities, cancer or premature ageing.
DSBs are also thought to be the main lesion causing cell death, a property that has been exploited for cancer treatment.