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Solid state linear dichroic infrared spectral analysis of benzimidazoles and their N(1)-protonated salts.

A stereo structural characterization of 2,5,6-thrimethylbenzimidazole (MBIZ) and 2-amino-benzimidaziole (2-NH(2)-BI) and their N(1) protonation salts was carried out using a polarized solid state linear dichroic infrared spectral (IR-LD) analysis in nematic liquid crystal suspension. All experimental predicted structures were compared with the theoretical ones, obtained by ab initio calculations. The C(s) to C(2v)(*) symmetry transformation as a result of protonation processes, with a view of its reflection on the infrared spectral characteristics was described.

Benzimidazoles↗

Characterization of hydrogen bonding between selected barbiturates and polyethylene glycol 4000 by IR spectral analysis.

Several barbiturates and primidone were equilibrated with polyethylene glycol 4000 in pyridine. IR spectral properties of these samples indicate that seven disubstituted barbiturates complex with polyethylene glycol 4000 while five disubstituted barbiturates and two trisubstituted barbiturates as well as primidone do not. Forces responsible for complexation of barbiturates with polyethylene glycol 4000, as inferred from spectral data, consist of hydrogen bonds formed between N1 and N3 hydrogens of the barbiturate ring and two oxygen atoms of the --O--CH2CH2--O--moiety. Also, there appear to be three configurations of intermolecular hydrogen bonding sites between disubstituted barbiturates. Several factors affect the barbiturate-polyethylene glycol 4000 interaction, including the nature of the solvent, C5 substituents, the number of hydrogen bonds formed between reactants, and the 2-carbonyl group of the barbiturate ring. Complexes of polyethylene glycol 4000 with phenobarbital, butabarbital, and cyclobarbital are stable in water at 26 degrees or below, but complexes of polyethylene glycol 4000 with butethal, cyclopentenyl allylbarbituric acid, pentobarbital, and probarbital are not.

Barbiturates↗

Spectral analysis of absorption changes associated with nerve excitation in dye-stained crab nerve.

Spectral characteristics of absorption changes associated with nerve excitation were studied with crab nerves stained with a homologous series of dyes, merocyanine-rhodanines and rhodanine oxonols. In these classes of dyes, the absorption changes which followed approximately the same time course as that of the action potential (fast responses) depended in a similar fashion on the wavelength and polarization of the incident light. In order to interpret those commonly observed dependencies, a mode of reorientation of the absorption oscillators of the dye molecules in the membrane matrix during nerve excitation was proposed. In addition to the fast changes mentioned above, slow responses which developed during and after the action potential were commonly observed with oxonols. The spectra of the slow changes differed from those of the fast ones, indicating a distinct mechanism on the response production. A possible mechanism of the production of fast responses was also discussed based on the proposed mode of reorientation of the absorption oscillators.

Animals↗

Regional spectral analysis of the REM sleep EEG in mild to moderate Alzheimer's disease.

Regional spectral analyses of the EEG during wakefulness and REM sleep was performed in eight patients with mild to moderate Alzheimer's disease and compared to that of healthy age-matched controls. Alzheimer patients presented some EEG slowing in frontal, parieto-occipital and temporal regions in the waking state. However, this EEG slowing was much better revealed in REM sleep, whether expressed by the ratio of slow to fast frequencies or by changes in each of the frequency bands. Moreover, regional differences in EEG slowing, relatively nonexistent in the awake EEG, were a prominent feature of the REM sleep EEG. Importance of cholinergic basal forebrain in the desynchronization of the REM sleep EEG might explain these results because this structure is affected in early Alzheimer's disease.

Aged↗

Application EMGs spectral analysis method for the objective diagnosis of different clinical forms of Parkinson's disease.

The authors work out a computer analysis method to investigate electrical activity of muscles (EMG). With four muscles (extensor carpi radialis longus and tibialis anterior of both right and left sides) integrated EMGs are introduced into the computer. EMG are detected and filtered the pass band from 0 to 15 Hz range, thus forming the envelope of EMG signals (EEMG). Spectral Analyses of 20 one-minute realizations of EEMG signals are conducted for each muscle. Diagnostic signs were obtained on the basis of a statistical treatment of the spectral parameters. Subsequent analysis of data obtained for 130 patients allowed to single out thereof the most informative signs. This signs were applied for studying 40 patients diagnosed with Parkinson's disease of different etiologies, clinical forms and stages. In a researched group, in 33 out 40 cases, clinical diagnosis coincided with computer one. In six cases, doctors corrected the diagnosis of the illness with diagnostic indicators. In one case, computer and clinical diagnosis did not coincide.

Computer Systems↗

Robust deconvolution of high-frequency ultrasound images using higher-order spectral analysis and wavelets.

Deconvolution of high-frequency (30-40 MHz) ultrasonic images of human skin was studied in vivo. Separate one-dimensional (1-D) functions for the axial and lateral profiles were first estimated using higher-order spectral methods. Subsequently, deconvolution was implemented us ing a regularized inverse Wiener filtering of the wavelet and scaling coefficients that were obtained after a wavelet decomposition of the RF signals. Deconvolution was first performed in the axial direction, then in the lateral direction. The methods were applied to data obtained from the skin of 16 volunteers using three different transducers. Significant improvements in both the axial and lateral resolutions were obtained in all the cases. Features such as hair follicles in the dermis and fingerprints on the surface of the finger were more clearly displayed in the processed images compared to the original images. The results indicate that the deconvolution method using higher-order spectral methods and wavelet analysis could significantly improve the quality of high-frequency ultrasonic skin images.

Adult↗

Multichannel microspectrofluorometry for topographic and spectral analysis of NAD(P)H fluorescence in single living cells.

Starting from a previously described prototype microspectrofluorometer a more versatile apparatus has been developed with rapid optional operation on a topographic mode for the simultaneous multisite evaluation of NAD(P) reduction-reoxidation transients or on a spectral mode for the analysis of natural and exogenous fluorochromes, in single living cells. On the topographic mode, adetailed kinetic analysis of NAD or NAD P-linked dehydrogenases can be made from 50-100 cell points imultaneously via automatic recording of topographic scans upt to 16 times a second, in correlation with microelectrophoretic intracellular inuection of metabolites (e.g. nearly immediate response to glucose 6-phosphate, 20-25 s delay for 6-phosphogluconate). Rapid shifts from topographic to spectral operation make possible the detection of a change in fluorescence intensity at a specific intracellular site and the immediate verification of its nature (NAD(P)H or exogenous fluorochrome) by spectral observations.

Evaluation Studies as Topic↗

Outer membrane cytochromes of Shewanella putrefaciens MR-1: spectral analysis, and purification of the 83-kDa c-type cytochrome.

The metal-reducing bacterium Shewanella putrefaciens MR-1 is known to localize a majority of its membrane-bound cytochromes to its outer membrane when grown under anaerobic conditions. In this study, pyridine hemochrome spectra confirmed that these outer membrane cytochromes are c-type, and electrophoretic data demonstrated the presence of four distinct outer membrane cytochromes, with apparent molecular masses of 150, 83, 65, and 53 kDa. Fourth-order derivative analysis of 77 K spectra of the outer membrane revealed four spectrally distinct c-type hemes, with peaks at 545.4, 548.0, 550.6, and 552.6 nm. Outer membrane cytochromes in the reduced state were rapidly re-oxidized by oxidized iron and manganese, which have previously been shown to serve as electron acceptors for anaerobic respiration in this bacterium. The 83-kDa outer membrane cytochrome was purified and a specific polyclonal antibody was generated against this protein. Western blot analysis demonstrated that the vast majority of this protein was localized to the outer membrane and an intermediate density membrane fraction of similar composition. Its levels, but not its subcellular distribution, were somewhat influenced by the electron acceptor used to support anaerobic growth, with levels higher in fumarate-grown cells relative to iron(III)- or trimethylamine N-oxide-grown cells. Its specific content in cells grown under aerobic conditions was only 14% of that of fumarate-grown cells, suggesting that a switch to anaerobic conditions significantly increases the de novo synthesis of this outer membrane cytochrome.

Aerobiosis↗

Methods of dynamic spectral analysis by self-exciting autoregressive moving average models and their application to analysing biosignals.

Dynamic methods in the spectral domain are necessary to analyse biological signals because of the frequently nonstationary character of the signals. The paper presents an adaptive procedure of fitting time-dependent ARMA models to nonstationary signals, which is suitable for on-line calculations. The properties of the model parameter estimations are examined, and in the stationary case are compared with the results of convergent estimation methods. On this basis time-varying spectral parameters with high temporal and spectral resolution are calculated, and the possibility of their application is shown in EEG analysis and laser-Doppler-flowmetry.

Electroencephalography↗

Spectral analysis of flow cytometric data: design of a special-purpose low-pass digital filter.

Spectral decomposition of flow cytometric datafiles of arbitrary dimension reveal information of both the signal and the noise components that constitute the histograms. This spectral information is used to construct a low-pass digital filter, which removes the high-frequency noise from the actual data. It is shown that this procedure guarantees non-trivial smoothing of the flow cytometric data in accordance with the local experimental situation. As a consequence optimal reconstruction of the signal is possible, which facilitates unambiguous interpretation of the data files and mathematical estimation of the statistical parameters.

Flow Cytometry↗

Spectral analysis of Mn2+, Co2+ and Ni2+: B2O3-ZnO-PbO glasses.

This paper reports on the spectral properties of Mn2+, Co2+ and Ni2+ ions doped B2O3-ZnO-PbO glasses. XRD, FT-IR spectra and DSC profiles of these glasses have also been carried out, and the FT-IR profiles have shown the presence of both BO3 and BO4 units. It is interesting to notice that the FT-IR peak positions are slightly shifted towards higher energy with an increase in transition metal ion concentration change. From the measured DSC thermograms, glass transition (T(g)), crystallization (T(c)) and temperature of melting (T(m)) have been evaluated. From the UV absorption spectra of Mn2+, Co2+ and Ni2+ ions doped glasses, both direct and indirect optical band gaps have been calculated. The visible absorption spectra of Mn2+:glasses have shown a broad absorption band at 520 nm (6A1g(S) --> 4T1g(G)); with Co2+ ions one absorption band at 605 nm (4A2(4F) --> 4T1(4P)) and another at 1450 nm (4A2(4F) --> 4T1(4F)); and for Ni2+:glasses three absorption bands at 420 nm (3A2g(F) --> 3T1g(P)), 805 nm (3A2g(F) --> 1Eg(D)) and 880 nm (3A2g(F) --> 3T1g(F)) have been observed. For Mn2+:glasses, upon excitation with 262 nm, a green emission (539 nm) with a slight blue shift; and with 392 nm, a green emission (534 nm) with a slight red shift with Mn2+ ions concentration change (0.2-0.5 mol%) has been observed. This green emission has been assigned to (4T1(G) --> 6A1(S)) d-d transition of Mn2+ ions that are in tetrahedral co-ordination. For 0.5 mol% Co2+ ions doped glass, upon excitation with 580 nm, a red emission (625 nm) has been observed which originates from 2E(2G) --> 4A2(4F) transition of Co2+ ions in tetrahedral co-ordination. For Ni2+ ions doped glasses upon excitation with 420 nm, a green (577 nm) and red (670 nm) emissions are observed and are assigned to (1T2g(D) --> 3A2g(F)) and (1T2g(D) --> 3T2g(F)) d-d transitions of Ni2+ ions in octahedral co-ordination.

Borates↗

Power spectral analysis of electromyogram and compound muscle action potential during muscle fatigue and recovery.

1. The power spectral changes of the voluntary electromyogram (e.m.g.) and of the compound muscle action potential (c.m.a.p.) evoked by supramaximal nerve stimulation have been compared in fatigue and recovery of human voluntary muscle contraction. 2. The mean power frequency (m.p.f.) of the voluntary e.m.g. and that of the c.m.a.p. are similar during fatigue. Power spectral shift can be largely accounted for by change in shape of muscle action potentials. 3. The recovery rates of force and action potential amplitude are similar, being half complete at 30 s. M.p.f. and relaxation rate recover more slowly, being half complete at 3 min. 4. It is suggested that the recovery of power spectral changes is dependent on the metabolic state of the muscle.

Action Potentials↗

Spectral analysis of two-signed microarray expression data.

We give a simple and informative derivation of a spectral algorithm for clustering and reordering complementary DNA microarray expression data. Here, expression levels of a set of genes are recorded simultaneously across a number of samples, with a positive weight reflecting up-regulation and a negative weight reflecting down-regulation. We give theoretical support for the algorithm based on a biologically justified hypothesis about the structure of the data, and illustrate its use on public domain data in the context of unsupervised tumour classification. The algorithm is derived by considering a discrete optimization problem and then relaxing to the continuous realm. We prove that in the case where the data have an inherent 'checkerboard' sign pattern, the algorithm will automatically reveal that pattern. Further, our derivation shows that the algorithm may be regarded as imposing a random graph model on the expression levels and then clustering from a maximum likelihood perspective. This indicates that the output will be tolerant to perturbations and will reveal 'near-checkerboard' patterns when these are present in the data. It is interesting to note that the checkerboard structure is revealed by the first (dominant) singular vectors--previous work on spectral methods has focussed on the case of nonnegative edge weights, where only the second and higher singular vectors are relevant. We illustrate the algorithm on real and synthetic data, and then use it in a tumour classification context on three different cancer data sets. Our results show that respecting the two-signed nature of the data (thereby distinguishing between up-regulation and down-regulation) reveals structures that cannot be gleaned from the absolute value data (where up- and down-regulation are both regarded as 'changes').

Algorithms↗

Resonance scattering spectral analysis of chlorides based on the formation of (AgCl)n(Ag)s nanoparticle.

A novel resonance scattering spectral method has been proposed for the determination of trace amounts of chlorides in the range of 2 x 10(-7)-8 x 10(-6) mol/l. It was based on the photochemical reaction system of AgNO3-NaCl-sodium oxalic to form the (AgCl)nucleus (n)(Ag)shell (s) nanoparticle. There is a strongest resonance scattering peak at 470 nm and a maximum absorption peak at 425 nm. The concentration of chlorides is proportional to the intensity of resonance scattering at 470 nm. The nonlinear resonance scattering peaks of the nanoparticle system have been also considered, according to the theory of the interaction between the surface electron of nanoparticle and the incidence photon.

Chlorides↗

Power spectral analysis of inspiratory nerve activity in the anesthetized rat: uncorrelated fast oscillations in different inspiratory nerves.

The spectral composition of the inspiratory nerve discharge was studied in spontaneously breathing Sprague-Dawley rats under urethane (n = 7) or barbiturate (n = 10). Left phrenic nerve activity was recorded simultaneously with right phrenic or left recurrent laryngeal nerves. We found that all neurograms showed prominent fast oscillators at common frequencies in the high frequency (HFO) range. Concurrent medium frequency oscillations (MFO) were present in inspiratory nerve discharges of four rats anesthetized with Nembutal. Significant coherences between nerves were uncommon (n = 2) and were only found between HFOs. Thus although nerve autospectra were dominated by HFO, weak correlations indicated a relatively weak system HFO in th central pattern generator, in the anesthetized rat.

Anesthesia↗

[Spectral analysis of the variability of heart rhythm in the analysis of changes in the autonomic regulation during treatment of hypertension with sodium chloride baths].

Changes in spectral parameters of heart rate variability were assessed in patients with mild and moderate hypertension (n = 48) and healthy subjects (n = 34) taking sodium chloride bath and in active orthostatic test before and after balneotherapy. Significant changes were not registered. The course of balneotherapy stimulated sympathetic or parasympathetic activity (relative enhancement occurred in 67, absolute in 15% versus 8 and 10% patients, respectively).

Adult↗

[A spectral analysis and mathematical modelling of the brain electrical activity in normal rats and in genetically conditioned convulsibility].

Spectral signs of genetically conditioned convulsibility of rats of the Krushinskiĭ-Molodkina (KM) strain were determined when studying the background electrical brain activity. These signs were: an increase of the delta-activity power in motor and visual cortical zones; considerable increase of the hippocampal potential power; weakening of the caudate nucleus potential power. Spectra of biopotentials being approximated by theoretical spectral function, model parameters simulating physiological characteristics of neural networks were estimated (an inverse problem of modelling). Spectral signs of convulsibility were shown to reflect changes in properties of the neural network. On the basis of calculations it is supposed that genetically determined convulsibility of KM rats results from weakening of inhibitory functions of the caudate nucleus as well as from increased excitability (reactivity) of hippocampal and neocortical neurons.

Acoustic Stimulation↗