搜索结果: 1-15 共查到“理学 electrostatic”相关记录59条 . 查询时间(0.124 秒)
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 ...
A Solvatochromic Model Calibrates Nitriles' Vibrational Frequencies to Electrostatic Fields
Solvatochromic Model Calibrates Vibrational Frequencies Electrostatic Fields
2016/5/25
Electrostatic interactions provide a primary connection between a protein's three-dimensional structure and its function. Infrared probes are useful because vibrational frequencies of certain chemical...
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...
Electrostatic Fields Near the Active Site of Human Aldose Reductase:2.New Inhibitors and Complications Caused by Hydrogen Bonds
Humans Nitriles Aldehyde Reductase Spectrophotometry, Infrared Spectroscopy, Fourier Transform Infrared Binding Sites Catalytic Domain Protein Binding Kinetics Hydrogen Bonding
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 nitrile-containing inhibitor was de...
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...
Do Ligand Binding and Solvent Exclusion Alter the Electrostatic Character within the Oxyanion Hole of an Enzymatic Active Site
Pseudomonas putida Thiocyanates Anions Oxygen Steroid Isomerases Ligands Spectroscopy, Fourier Transform Infrared Kinetics Binding Sites Static Electricity
2016/5/24
The thousands of enzyme structures solved to date have consistently revealed that biological catalysis occurs within sequestered pockets containing complex interdigitations of polar and hydrophobic gr...
Electrostatic and Conformational Effects on the Electronic Structures of Distortional Isomers of a Mixed-Valence Binuclear Cu Complex
Electrostatic Conformational Electronic Structures Distortional Isomers Mixed-Valence Binuclear Cu Complex
2016/5/23
The electronic structure of the binuclear copper complex [Cu(2)(L)](3+) [L = N(CH(2)CH(2)N(H)CH(2)CH(2)N(H)CH(2)CH(2))(3)N] has been investigated by resonance Raman and electroabsorption spectroscopy....
Vibrational Stark Spectroscopy of NO Bound to Heme:Effects of Protein Electrostatic Fields on the NO Stretch Frequency
rare earth alloys X-ray diffraction crystal structure phase diagram
2016/5/23
The vibrational Stark effect measures the effect of an external electric field on the vibrational (IR) spectrum of a molecule. This technique gives quantitative information on the sensitivity of a vib...
Vibrational Stark Spectroscopy in Proteins:A Probe and Calibration for Electrostatic Fields
affinity partition plasma membrane IGF-I receptor C6 glioma wheat germ agglutinin two-phase partitioning
2016/5/23
We report the first measurement of the vibrational Stark effect in a protein, providing quantitative information on the sensitivity of a vibrational transition to an applied electric field. This can b...
A Test of the Role of Electrostatic Interactions in Determining the CO Stretch Frequency in Carbonmonoxymyoglobin
Electrochemistry Escherichia coli Humans Mutagenesis, Site-Directed Myoglobin Point Mutation Protein Conformation Recombinant Proteins Spectroscopy, Fourier Transform Infrared Vibration
2016/5/23
The vibrational frequency of CO bound to myoglobin can be varied by up to 60 cm-1 by making site-specific mutations in the distal pocket. These changes may result from specific chemical interactions b...
Electrostatic Interactions in Wild Type and Mutant Recombinant Human Myoglobins
SUBSTANCE-P GABA PROLACTIN ANTERIOR PITUITARY HYPOTHALAMIC FRAGMENTS ANTI-SUBSTANCE-P SERUM
2016/5/20
Residue Val68 in human myoglobin has been replaced by Asn, Asp, and Glu with site-directed mutagenesis. Purified proteins were characterized by isoelectric focusing and by absorption, CD, and NMR spec...
Electrostatic Modeling of Protein Aggregation
electrostatic modeling protein aggregation
2015/5/26
Ram Vanam M.S., Indiana University, December 2004. Electrostatic modeling of protein aggregation. Research Advisor: Paul L. Dubin
Electrostatic modeling was done with Delphi of insight II to explain ...
Ram Vanam M.S., Indiana University, December 2004. Electrostatic modeling of protein aggregation. Research Advisor: Paul L. Dubin Electrostatic modeling was done with Delphi of insight II to explain a...
Accuracy and efficiency in computing electrostatic potential for an ion channel model in layered dielectric/electrolyte media
Poisson-Boltzmann equation layered electrolytes and dielectrics
2014/9/26
This paper will investigate the numerical accuracy and efficiency in computing the
electrostatic potential for a finite-height cylinder, used in an explicit/implicit hy-brid solvation model for ion c...