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Measuring Electrostatic Fields in Both Hydrogen Bonding and non-Hydrogen Bonding Environments using Carbonyl Vibrational Probes
Ribonucleases Molecular Probes Protein Conformation Vibration Acetophenones Molecular Dynamics Simulation Static Electricity Hydrogen Bonding Solvents
2016/5/25
Vibrational probes can provide a direct readout of the local electrostatic field in complex molecular environments, such as protein binding sites and enzyme active sites. This information provides an ...
Direct Measurement of the Protein Response to An Electrostatic Perturbation That Mimics the Catalytic Cycle in Ketosteroid Isomerase
hydroperoxide lipids GUV photosensitization methylene blue
2016/5/25
Understanding how electric fields and their fluctuations in the active site of enzymes affect efficient catalysis represents a critical objective of biochemical research. We have directly measured the...
Decomposition of Vibrational Shifts of Nitriles into Electrostatic and Hydrogen-Bonding Effects
Pseudomonas putida Nitriles Steroid Isomerases Spectrophotometry, Infrared Magnetic Resonance Spectroscopy Catalytic Domain Hydrogen Bonding Vibration Static Electricity
2016/5/25
Infrared (IR) band shifts of isolated vibrational transitions can serve as quantitative and directional probes of local electrostatic fields, due to the vibrational Stark effect. However, departures f...
Electrostatic Fields Near the Active Site of Human Aldose Reductase:1.New Inhibitors and Vibrational Stark Effect Measurements
apoptosis ATM cisplatin IKK p73 ubiquitination
2016/5/25
Vibrational Stark effect spectroscopy was used to measure electrostatic fields in the hydrophobic region of the active site of human aldose reductase (hALR2). A new hALR2 inhibitor was designed and sy...