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At least 667 records · Page 37Linked to original sources
PubMed1996

Inhibitor/fatty acid interactions with cytochrome P-450 BM3.

The interaction of fatty acid substrate (palmitate) and inhibitor (metyrapone: 2-methyl-1,2-di-3-pyridyl-1-propanone) with cytochrome P-450 BM3 was analysed by UV-visible and circular dichroism spectroscopy, and by surface-enhanced resonance Raman scattering (SERRS). While visible spectroscopy provides information on the relative affinities of these compounds, SERRS provides additional novel data indicating palmitate-induced structural changes in the haem environment. SERRS also demonstrates that binding of both palmitate and the large nitrogenous ligand metyrapone occurs simultaneously to P-450 BM3 -- highlighting the usefulness of this technique in probing haemoprotein active sites.

Bacterial Proteins↗
PubMed1983

Vibrational spectroscopic approach to the study of acetylcholine and related compounds.

The present review reports the coordinated application of three spectroscopic methods (Raman, infrared(IR) and inelastic electron tunneling spectroscopy (IETS)) in the study of the conformation of Ach and some analogues (beta-MeAch, Mu and Nic) in solid state, aqueous solution and in interaction with a surface. Useful correlated information is obtained by Raman and IR spectroscopies on the conformational possibilities of these molecules in transition from solid state to aqueous solution. With this information in hand as well as on the basis of Raman and IR study of the nonenzymatic hydrolysis of Ach, the first detailed experimental investigation of the interaction of Ach and beta-MeAch adsorbed on a surface (A1203) is realised by the IETS method. The results are used to discuss an interaction analogous to that of Ach with receptor and another one analogous to that of Ach and AchE.

Acetylcholine↗
PubMed1994

Quantification of the fetal heart rate variability by spectral analysis of fetal well-being and fetal distress.

Our objectives were to increase the discrimination between fetal distress and fetal well-being, using fetal heart rate spectral analysis. Monitoring of the heart rate from 259 fetuses was done between 26 and 42 weeks, interpreted with classical criteria, and analysed with the spectral analysis method we developed. The fetal heart rate spectrum analysis performed on these recordings allow discrimination of fetal distress from the normal state using the energy value and frequency of the maximal energy in the high frequency band. We can conclude that the spectral analysis produces two significant parameters which could contribute to a multivariate approach to assessments of the physiological mechanisms of heart rate variability.

Female↗
PubMed1992

Spectroscopic characterization of heme A reconstituted myoglobin.

The focus of this study was to examine the functional role of the unusual peripheral substitution of heme A. The effects of heme A stereochemistry on the reconstitution of the porphyrin have been examined in the heme A-apo-myoglobin complex using optical absorption and resonance Raman and electron paramagnetic resonance spectroscopies. The addition of one equivalent of heme A to apo-Mb produces a complex which displays spectroscopic signals consistent with a distribution of high- and low-spin heme chromophores. These results indicate that the incorporation of heme A into apo-Mb significantly perturbs the protein refolding.

Animals↗
PubMed2005

Quantifying energetic contributions to ground state destabilization.

Vibrational spectroscopy has identified that in many cases, substrate association with enzyme active sites results in significant bond polarization. This bond polarization can be attributed to a combination of desolvation, conformational restriction, and true polarization by the local electric field. Quantum chemical calculations permit the extent of polarization to be quantified both in terms of partial charge and energy. The changes in vibrational frequency that occur during the binding process necessarily result in equilibrium isotope effects. The equilibrium isotope effect on association is one feature that differentiates isotope effects on k(cat) and k(cat)/K(m). An improved chemical understanding of the changes that occur on substrate binding will help elucidate the role of substrate activation in enzyme catalysis.

3-Hydroxyacyl CoA Dehydrogenases↗
PubMed2005

The complex of xylan and iodine: the induction and detection of nanoscale order.

The complex of xylan and iodine and its formation in a solution of xylan, CaCl2, and I2+KI was investigated by UV/Vis, second-derivative UV/Vis, and Raman spectroscopy. The complex forms only at very high concentrations of CaCl2, suggesting that when the water available in the solution is not sufficient to fully hydrate the calcium cation the chelation with the hydroxyl groups of the xylan can occur. The electronic spectra indicate that iodine is present in the form of three linear polyiodides I9(3-), I11(3-), and I13(3-) structures, which the Raman spectra show to be linear aggregates of the I3- and I5- substructures. Iodide concentration has a significant influence on the relative population of I9(3-), I11(3-), and I13(3-), as well as I3- and I5-, which lead to changes in both the UV/Vis absorption maxima shifts and changes in the Raman spectra. The key difference between this system of complexes with the linear polyiodide aggregates and that of amylose is that the longest aggregate observed with the amylose system, the I15(3-) polyanion, is not observed with the xylans. This indicates that the ordered arrays in the xylan-iodine complex do not exceed 4 nm in length. It is not possible to conclude at this time whether the ordered segment of the xylan molecule is linear or helical. If it is linear the length of the longest ordered arrays would be eight xylose residues. The number would exceed eight if the xylan molecule were helically wound.

Calcium Chloride↗
PubMed2004

Phase behaviour of transkarbam 12.

Transkarbam 12 (T12), the carbamic acid salt of omega-aminocaproic acid dodecyl ester, is a recently synthesized substance, whose high permeation enhancing activity through the human skin was found for certain drugs. In this work, the thermotropic phase behaviour of T12 has been studied by means of various techniques, namely, DSC, FTIR and FT-Raman spectroscopy, X-ray powder diffraction, and DRS. The temperature development of the X-ray reflections as well as of the conformationally sensitive Raman bands and the IR bands have been observed. At room temperature, the hydrocarbon chains of T12 exhibit a highly ordered structure, arranged in an orthorhombic perpendicular subcell. On heating, two transitions occur at 54 and at 66 degrees C. The first transition is related to the disruption of the carbamate structure and changes in the polar head group. The other transition represents the melting of hydrocarbon chains and the subsequent release of carbon dioxide. The time required for the rebinding of carbon dioxide and the reformation of the carbamate structure is dependent upon numerous factors and it was not possible to precisely determine the length of this process.

Aminocaproates↗
PubMed2006

Non-invasive glucose monitoring: assessment of technologies and devices according to quantitative criteria.

Aim of this review was to describe the main technologies for non-invasive glucose monitoring and the corresponding most relevant devices. The review tries to overcome the limitations of previous reviews on this topic, such as the lack of objective criteria for inclusion or exclusion of technologies or devices, and the poor organization of the information, which often does not allow easy comparison between technologies and devices. In this review, the information is concise and organized into specific categories, and hence it becomes easy to compare advantages and disadvantages of the different technologies and devices. For technologies, the categories of information considered are the technology name, the underlying physical principle, the technology limitations and the measurement sites on the human body. For devices, the categories of information are the device name, its approval condition (FDA Approval and/or CE Mark), the technology on which it is based, a device general description, the tests performed on the device, the corresponding results, safety information, aspects affecting usability, current status of the device and the manufacturer, an Internet reference for the device. A total of 14 technologies and 16 devices are included. Conclusions of the review were that, despite some interesting and promising technologies and devices, a satisfactory solution to the non-invasive glucose monitoring problem still requires further efforts.

Adult↗
PubMed2006

Structural investigations on nanoemulsions, solid lipid nanoparticles and nanostructured lipid carriers by cryo-field emission scanning electron microscopy and Raman spectroscopy.

Recently, colloidal dispersions based on solid lipids (solid lipid nanoparticles, SLN) and mixtures of solid and liquid lipids (nanostructured lipid carriers, NLC) were described as innovative carrier systems. A spherical particle shape is the basis of features such as a high loading capacity and controlled drug release characteristics due to smaller lipid-water interfaces and longer diffusion pathways when compared to thin platelets. The structures of SLN and the influence of oil load (NLC) on particle properties were investigated by photon correlation spectroscopy (PCS), laser diffractometry (LD), cryo-field emission scanning electron microscopy (cryo-FESEM), Raman spectroscopy and infrared spectroscopy (IR), and compared to a conventional nanoemulsion. PCS and LD data show similar size and size distribution for SLN and NLC (approximately 210 nm, polydispersity index approximately 0.15) and suggested a long term physical stability for the dispersions which had been stored for up to 12 months at different temperatures. Using cryo-FESEM droplets (for the nanoemulsion) and almost spherical particles for SLN and NLC were observed. Raman spectroscopy resulted in spectra for NLC that are weighted to the SLN spectra, suggesting an undisturbed crystal structure. Infrared spectra of the NLC are predominantly SLN in nature. Importantly the SLN bands are unshifted in the NLC spectrum indicating that the crystalline structure is unaffected by the presence of the oil.

Chemistry, Pharmaceutical↗
PubMed2006

Solid state characterization of olanzapine polymorphs using vibrational spectroscopy.

FT-Raman, infrared and near infrared investigations of two polymorphs of olanzapine are presented, establishing the main features that allow the discrimination of these crystalline forms using vibrational spectroscopic methods. Ab initio calculations on the basis of the density functional theory were used to determine the stable conformations. The calculated vibrational spectra were compared to the experimental ones in order to identify the conformers corresponding to each polymorph and to assign the vibrational bands to the internal vibrations of the olanzapine molecule. Our results support the hydrogen bonding pattern proposed by the reported crystalline structure and provide valuable information on the structural and thermodynamical relationship between the investigated polymorphs.

Antipsychotic Agents↗
PubMed2006

Cytoplasmic shuttling of protons in anabaena sensory rhodopsin: implications for signaling mechanism.

It was found recently that Anabaena sensory rhodopsin (ASR), which possibly serves as a photoreceptor for chromatic adaptation, interacts with a soluble cytoplasmic transducer. The X-ray structure of the transducer-free protein revealed an extensive hydrogen-bonded network of amino acid residues and water molecules in the cytoplasmic half of ASR, in high contrast to its haloarchaeal counterparts. Using time-resolved spectroscopy of the wild-type and mutant ASR in the visible and infrared ranges, we tried to determine whether this hydrogen-bonded network is used to translocate protons and whether those proton transfers are important for interaction with the transducer. We found that the retinal Schiff base deprotonation, which occurs in the M intermediate of the photocycle of all-trans-ASR, results in protonation of Asp217 on the cytoplasmic side of the protein. The deprotonation of the Schiff base induces a conformational change of ASR observed through the perturbation of associated lipids. We suggest that the cytoplasmic shuttling of protons in the photocycle of all-trans-ASR and the ensuing conformational changes might activate the transducer. Consequently, the M intermediate may be the signaling state of ASR.

Anabaena↗