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PubMed2004

2DCOR-GC: an application of the generalized two-dimensional correlation analysis as a route to optimization of continuous flow supercritical fluid reactions.

A new approach for optimization and monitoring of continuous reactions has been developed using 2D correlation methods for the analysis of GC data (2DCOR-GC). 2DCOR-GC maps are obtained following perturbation of the system that allow the effect of changing reaction parameters such as time, temperature, pressure, or concentration to be both monitored and sequenced with regard to changes in the raw GC data. In this paper, we describe the application of the 2DCOR-GC technique to monitoring the reverse water-gas shift reaction in scCO(2). 2DCOR-GC is combined with FT-IR data to validate the methodology. We also report the application of 2DCOR-GC to probe the mechanism of the alkylation of m-cresol with isopropyl alcohol in scCO(2) using Nafion SAC-13 as the catalyst. These results identify coeluting peaks that could easily be missed without exhaustive method development.

Journal Article↗

PubMed2002

Measurement and modeling of the equilibrium behavior of the Tröger's base enantiomers on an amylose-based chiral stationary phase.

The binary isotherms of the two enantiomers of Tröger's base were measured on a system made of pure 2-propanol as the mobile phase and of Chiralpak AD, a chiral stationary phase (CSP) based on amylose tri-(3,5-dimethylphenyl carbamate). The experimental data were acquired using both frontal analysis and the perturbation method. The results obtained are most unusual. The adsorption of the more-retained (-)-enantiomer is not competitive: the amount adsorbed onto the CSP at equilibrium with a constant concentration of the (-)-enantiomer is independent of the concentration of the (+) enantiomer. On the other hand, the adsorption of the less-retained enantiomer is cooperative: the amount of this (+)-enantiomer adsorbed by the CSP at equilibrium with a constant concentration of this enantiomer increases with increasing concentration of the (-)-enantiomer. Such a phenomenon has hardly ever been reported. A model equation is proposed that accounts well for all these isotherm data.

Adsorption↗

PubMed2026

Multiomics approaches to cardiovascular disease: technological innovations and clinical translation.

Cardiovascular diseases (CVDs) remain the leading cause of global morbidity and mortality, reflecting a persistent gap between clinical phenotyping and the molecular mechanisms that govern disease initiation, progression, and interindividual variability. Recent advances in emerging technologies have fundamentally reshaped cardiovascular physiology by enabling high-resolution, cross-layer profiling of the heart and vasculature across genomic, epigenomic, transcriptomic, proteomic, metabolomic, lipidomic, glycomic, and fluxomic layers, increasingly at single-cell and spatial resolution. These approaches reveal CVD as a coordinated, multilayered process driven by dynamic interactions among cell types, regulatory programs, and metabolic states, rather than isolated gene-level defects. In this review, we synthesize how emerging multiomic, computational, and functional genomic technologies are redefining the study of cardiovascular disease across molecular, cellular, and tissue levels. We highlight recent innovations in single-cell and spatial atlases, long-read sequencing, proteomics and metabolomics, integrative data modeling, and functional omics approaches, including genome-scale perturbation screens and single-cell perturbation frameworks. These platforms enable mechanistic dissection of regulatory circuits, distinguish primary disease drivers from secondary adaptations, and directly assess therapeutic reversibility, advancing the field beyond associative biomarker discovery toward mechanism-guided target prioritization. We further discuss key methodological and translational challenges accompanying high-dimensional cardiovascular data, including preanalytical variability, control selection, temporal misalignment across molecular layers, population diversity, and reference bias. By integrating technological innovation with computational rigor and functional validation, this review frames emerging omics-enabled strategies as a unified, physiologically grounded framework for translating molecular insight into clinically meaningful cardiovascular phenotypes and advancing precision cardiovascular medicine.

Humans↗

PubMed1976

[A micro copper analysis with dithiooxamide as the basis of a new method of the determination of gunshot firing distances (author's transl)].

The determination of gunshot firing distances up to 160 cm is possible by means of a simple micro copper analysis. From a comparison of accurately known standards with the results from spot analysis by dithiooxamide it is possible to make, without additional instrumentation, a semiquantitative estimation of the copper content. The copper powder from bullet reaching the target is a function of muzzle to target distance. The experiments where analysed by flying spot densitometrie with a TLD 100 and the scatter of the data was determined statistically. This enables the method to a applicable in a very accurate way. The limitations of the method and possible perturbations are discussed and the results from this work are compared with the data obtained by other authors and by different methods.

Copper↗

PubMed1999

Role for tumor necrosis factor alpha receptor 1 and interleukin-1 receptor in the suppression of mouse hepatocyte apoptosis by the peroxisome proliferator nafenopin.

Peroxisome proliferators (PPs) cause rodent liver enlargement and tumors. In vitro, PPs induce rat and mouse hepatocyte DNA synthesis and suppress apoptosis, a response mimicked by exogenous tumor necrosis factor alpha (TNFalpha). Here, we determine the role of TNF receptor 1 (TNFR1), TNF receptor 2 (TNFR2), and nuclear factor kappa beta (NFkappaB) in the response of mouse hepatocytes to the PP, nafenopin. Nafenopin (50 micromol/L) induced DNA synthesis as measured by bromodeoxyuridine (BrdU) incorporation, suppressed cell death as measured by Hoechst 33258 staining, induced peroxisomal beta-oxidation as measured by cyanide insensitive palmitoyl CoA oxidation (PCO) and caused activation of nuclear factor kappa beta (NFkappaB) as determined by electrophoretic mobility gel shift assay (EMSA). The induction of DNA synthesis and the suppression of apoptosis in response to nafenopin was abrogated completely by blocking antibodies to TNFR1 but not to TNFR2. In contrast, the induction of peroxisomal beta-oxidation by nafenopin was not blocked by the anti-TNFR1 antibody. Next, we evaluated the response of hepatocytes to interleukin-1 (IL-1), another proinflammatory cytokine. IL-1alpha (2.5 ng/mL) and, to a lesser extent, IL-1beta (5 ng/mL), shared the ability of TNFalpha to induce DNA synthesis and suppress apoptosis. In addition, anti-IL-1 receptor, type 1/p80 (IL-1R) antibodies were able to abrogate the response to nafenopin. IL-1alpha was still able to perturb hepatocyte growth in the presence of the anti-TNFR1 antibody suggesting that IL-1alpha acts independently rather than by elaborating TNFalpha. In summary, these data provide additional evidence for a role for hepatic cytokines in the perturbation of hepatocyte growth by PPs such as nafenopin.

Animals↗

PubMedDate not supplied

Leukocyte kinetics, cell cycle and leukemic proliferation.

A review is presented of the available data in the medical literature and of the author's experience in the study of leukocyte kinetics, starting with the originary stem cell. To facilitate understanding of the process of leukocyte proliferation in leukemias, theoretical and methodological details are given on the techniques for determination of the cell cycle and its perturbations during evolution of the various types of leukemias. Some data on animal leukemias are also discussed. A critical analysis is made of the action of immunosuppressive cytostatic drugs on the leukemic cell proliferation.

Animals↗

PubMed2003

System identification applied to a visuomotor task: near-optimal human performance in a noisy changing task.

Sensory-motor integration has frequently been studied using a single-step change in a control variable such as prismatic lens angle and has revealed human visuomotor adaptation to often be partial and inefficient. We propose that the changes occurring in everyday life are better represented as the accumulation of many smaller perturbations contaminated by measurement noise. We have therefore tested human performance to random walk variations in the visual feedback of hand movements during a pointing task. Subjects made discrete targeted pointing movements to a visual target and received terminal feedback via a cursor the position of which was offset from the actual movement endpoint by a random walk element and a random observation element. By applying ideal observer analysis, which for this task compares human performance against that of a Kalman filter, we show that the subjects' performance was highly efficient with Fisher efficiencies reaching 73%. We then used system identification techniques to characterize the control strategy used. A "modified" delta-rule algorithm best modeled the human data, which suggests that they estimated the random walk perturbation of feedback in this task using an exponential weighting of recent errors. The time constant of the exponential weighting of the best-fitting model varied with the rate of random walk drift. Because human efficiency levels were high and did not vary greatly across three levels of observation noise, these results suggest that the algorithm the subjects used exponentially weighted recent errors with a weighting that varied with the level of drift in the task to maintain efficient performance.

Adult↗

PubMed2006

Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods.

Ab initio study of excitation energies and oscillator strengths for absorption towards the (3)P(1) and (1)P(1) states of the Bi(3+) ion has been performed for the Bi(3+) ion in gas phase and as a dopant of the cubic elpasolite Cs(2)NaYCl(6) and the yttria Y(2)O(3) crystal using the ab initio embedded-cluster method. The ground and excited states were computed with a relativistic spin-orbit configuration interaction approach suited for heavy elements. Electron correlation was treated in the scalar relativistic scheme with perturbative, variational, and coupled-cluster methods. Intermediate coupling is included via an effective-Hamiltonian based spin-orbit configuration interaction approach. Small-core (60 electrons) and large-core (78 electrons) relativistic effective core potentials (ECPs) have been used to describe the bismuth ion. The best match with experiment was obtained with the small-core ECP. The accuracy of excitation energies strongly depends on the electron correlation method used. The agreement between experimental data and the results obtained using second-order multiconfigurational perturbation theory is greatly improved with the shifted zeroth-order Hamiltonian proposed by Ghido et al. [Chem. Phys. Lett. 396, 142 (2004)]. Although quite time consuming, coupled-cluster and variational methods yield good agreement with experimental data. The first absorption band recorded for the doped elpasolite crystal is positioned with an excellent accuracy while the computed energy of the second absorbing manifold is in poorer agreement with experimental data. This suggests that interactions with neglected close-lying excited states with a ligand-to-metal charge transfer character may be significant. Calculations of the spectrum of Bi(3+) doping yttria in both the S(6) and C(2) site symmetries indicate that the absorbing manifold arises from electronic excitations localized on the Bi(3+) doping ion with main triplet 6s6p character. Our results predict the first absorbing peak to lie about 0.5 eV lower for the S(6) sites than for the C(2) site, thus attributing the violet and the green emission wavelengths to the S(6) and C(2) sites, respectively. A subsequent study of Stokes shift and emission wavelength should hopefully lead to a final assignment of the measured excitation spectra.

Journal Article↗

PubMed1998

Control of reactive balance adjustments in perturbed human walking: roles of proximal and distal postural muscle activity.

Studies on the proactive control of gait have shown that proximal (hip/trunk) muscles are the primary contributors to balance control, while studies on reactive balance control during perturbed gait, examining only activity in distal (leg/thigh) muscles, have shown that these muscles are important in compensating for a gait disturbance. This study tested the hypothesis that proximal muscles are also primary contributors to reactive balance control during perturbed gait. Thirty-three young adults participated in a study in which an anterior slip was simulated at heel strike by the forward displacement of a force plate on which they walked. Surface electromyographic data were recorded from bilateral leg, thigh, hip and trunk muscles. Kinematic data were collected on joint angle changes in response to the perturbation. The results did not support the hypothesis that the proximal muscles contribute significantly to balance control during perturbed gait. The proximal muscles did not demonstrate more consistent activation, earlier onset latency, longer burst duration or larger burst magnitude than distal muscles. Moreover, although proximal postural activity was often present in the first slip trial, it tended to adapt away in later trials. By contrast, the typical postural responses exhibited by young adults consisted of an early (90-140 ms), high-magnitude (4-9 times muscle activity during normal walking) and relatively long duration (70-200 ms) activation of bilateral anterior leg muscles as well as the anterior and posterior thigh muscles. Thus, postural activity from bilateral leg and thigh muscles and the coordination between the two lower extremities were the key to reactive balance control and were sufficient for regaining balance within one gait cycle. The adaptive attenuation of proximal postural activity over repeated trials suggests that the nervous system overcompensates for a novel balance threat in the first slip trial and fine-tunes its responses with experience.

Adult↗

PubMed2005

Theoretical analyses of the effects on the linear and quadratic nonlinear optical properties of N-arylation of pyridinium groups in stilbazolium dyes.

N-Arylation of the pyridinium electron acceptor unit in stilbazolium chromophores has been found by previous experimental hyper-Rayleigh scattering and electronic Stark effect (electroabsorption) spectroscopic studies to lead to substantial increases in the static first hyperpolarizability beta(0). We show here that INDO/SCI calculations on the isolated cations trans-4'-(dimethylamino)-N-R-4-stilbazolium (R = methyl 1, phenyl 2, 2,4-dinitrophenyl 3, or 2-pyrimidyl 4) predict only slight red-shifts in the energy of the intramolecular charge-transfer (ICT) transition and accompanying relatively small changes in beta(0) on moving along the series. The inclusion of acetonitrile solvent using a polarizable continuum model affords a somewhat better agreement with the experimental data, especially the red-shifting of the ICT transition and the increase in beta(0) on going from 1 to 4. Time-dependent density functional theory (TD-DFT), finite field, and coupled perturbed Hartree-Fock calculations reproduce even more closely the empirical data and trends; the latter two approaches lead to the highest quadratic nonlinear optical (NLO) response of the studied chromophores for 3, for which the predicted beta(0) is ca. 50-100% larger than that of the analogous N-methylated cation 1. Although the TD-DFT and INDO/SCI approaches give quite different results for ground- and excited-state dipole moments, the overall conclusions of these two methods regarding the ICT absorption and NLO responses are similar.

Acetonitriles↗

PubMed2004

Ionization chamber-based reference dosimetry of intensity modulated radiation beams.

The present paper addresses reference dose measurements using thimble ionization chambers for quality assurance in IMRT fields. In these radiation fields, detector fluence perturbation effects invalidate the application of open-field dosimetry protocol data for the derivation of absorbed dose to water from ionization chamber measurements. We define a correction factor C(Q)IMRT to correct the absorbed dose to water calibration coefficient N(D, w)Q for fluence perturbation effects in individual segments of an IMRT delivery and developed a calculation method to evaluate the factor. The method consists of precalculating, using accurate Monte Carlo techniques, ionization chamber, type-dependent cavity air dose, and in-phantom dose to water at the reference point for zero-width pencil beams as a function of position of the pencil beams impinging on the phantom surface. These precalculated kernels are convolved with the IMRT fluence distribution to arrive at the dose-to-water-dose-to-cavity air ratio [D(a)w (IMRT)] for IMRT fields and with a 10x10 cm2 open-field fluence to arrive at the same ratio D(a)w (Q) for the 10x10 cm2 reference field. The correction factor C(Q)IMRT is then calculated as the ratio of D(a)w (IMRT) and D(a)w (Q). The calculation method was experimentally validated and the magnitude of chamber correction factors in reference dose measurements in single static and dynamic IMRT fields was studied. The results show that, for thimble-type ionization chambers the correction factor in a single, realistic dynamic IMRT field can be of the order of 10% or more. We therefore propose that for accurate reference dosimetry of complete n-beam IMRT deliveries, ionization chamber fluence perturbation correction factors must explicitly be taken into account.

Algorithms↗

PubMed1994

Hypothalamic-pituitary-adrenal axis perturbations in patients with fibromyalgia.

OBJECTIVE: To examine basal and stimulated hypothalamic-pituitary-adrenal (HPA) axis and related hormone levels, including adrenocorticotropin (ACTH), cortisol, arginine vasopressin (AVP), and neuropeptide Y (NPY), in patients with fibromyalgia (FM). METHODS: Basal and ovine corticotropin-releasing hormone (oCRH)-stimulated HPA axis function were assessed in 12 patients with FM and in age- and sex-matched normal subjects. Basal plasma AVP levels and AVP release after postural change were assessed, and plasma NPY levels were measured in the same samples. RESULTS: Patients with FM had low 24-hour urinary free cortisol, but normal peak and elevated trough plasma cortisol levels, compared with normal subjects. The net integrated ACTH response to oCRH in FM was not significantly different from that in normal subjects, but tended toward an exaggerated response. There was a significant decrease in net integrated cortisol response to oCRH in FM patients, indicating adrenal hyporesponsiveness. AVP levels were not significantly different between FM patients and control subjects, but variability was greater among the FM patients. Plasma NPY levels were significantly lower in FM patients than in normal subjects. CONCLUSION: These data support the view that HPA axis function is perturbed in patients with FM. Further study is required to ascertain the cause of HPA axis perturbations and their relationship to symptoms in patients with FM.

Adrenocorticotropic Hormone↗

PubMed2001

Forces and energetics of hapten-antibody dissociation: a biased molecular dynamics simulation study.

The unbinding of fluorescein from the single-chain Fv fragment of the 4D5Flu antibody is investigated by biased molecular dynamics with an implicit solvation model. To obtain statistically meaningful results, a large number of unbinding trajectories are calculated; they involve a total simulation time of more than 200 ns. Simulations are carried out with a time-dependent perturbation and in the presence of a constant force. The two techniques, which provide complementary information, induce unbinding by favoring an increase in the distance between the ligand and the antibody. This distance is an appropriate progress variable for the dissociation reaction and permits direct comparison of the unbinding forces in the simulations with data from atomic force microscopy (AFM). The time-dependent perturbation generates unfolding pathways that are close to equilibrium and can be used to reconstruct the mean force; i.e. the derivative of the potential of mean force, along the reaction coordinate. This is supported by an analysis of the overall unbinding profile and the magnitude of the mean force, which are similar to those of the unbinding force (i.e. the external force due to the time-dependent perturbation) averaged over several unbinding events. The multiple simulations show that unbinding proceeds along a rather well-defined pathway for a broad range of effective pulling speeds. Initially, there is a distortion of the protein localized in the C-terminal region followed by the fluorescein exit from the binding site. This occurs in steps that involve breaking of specific electrostatic and van der Waals interactions. It appears that the simulations do not explore the same barriers as those measured in the AFM experiments because of the much higher unfolding speed in the former. The dependence of the force on the logarithm of the loading rate is linear and the slope is higher than in the AFM, in agreement with experiment in other systems, where different slopes were observed for different regimes. Based on the unbinding events, mutations in the 4D5Flu antigen binding site are predicted to result in significant changes in the unbinding force.

Animals↗

PubMed2006

Single-step 3-d image reconstruction in magnetic induction tomography: theoretical limits of spatial resolution and contrast to noise ratio.

Magnetic induction tomography (MIT) is a low-resolution imaging modality for reconstructing the changes of the complex conductivity in an object. MIT is based on determining the perturbation of an alternating magnetic field, which is coupled from several excitation coils to the object. The conductivity distribution is reconstructed from the corresponding voltage changes induced in several receiver coils. Potential medical applications comprise the continuous, non-invasive monitoring of tissue alterations which are reflected in the change of the conductivity, e.g. edema, ventilation disorders, wound healing and ischemic processes. MIT requires the solution of an ill-posed inverse eddy current problem. A linearized version of this problem was solved for 16 excitation coils and 32 receiver coils with a model of two spherical perturbations within a cylindrical phantom. The method was tested with simulated measurement data. Images were reconstructed with a regularized single-step Gauss-Newton approach. Theoretical limits for spatial resolution and contrast/noise ratio were calculated and compared with the empirical results from a Monte-Carlo study. The conductivity perturbations inside a homogeneous cylinder were localized for a SNR between 44 and 64 dB. The results prove the feasibility of difference imaging with MIT and give some quantitative data on the limitations of the method.

Artifacts↗

PubMed2000

Comparison of different calculations of three-dimensional joint kinematics from video-based system data.

When skin-fixed marker trajectories are used to calculate 3D joint kinematics, the measurement errors (i.e. the difference between the trajectories of the external markers and those of the skeleton) influence to some extent the accuracy of the results, depending both on the calculation method and on the axes about which the rotations are expressed. The purpose of this paper is to compare several expressions of joint angular variations. Two kinematic concepts are used to calculate the changes in the orientation of the distal segment versus the proximal one: the first method consists of computing the components of the spatial attitude vector, the second one deals with the determination of elementary rotations about successive axes. For each of these methods, two sets of three axes are tested to express the results: the axes forming the reference frame affixed to the body segment adjacent to the joint (named fixed axes), and a set consisting of a first axis belonging to the proximal segment, a third axis belonging to the distal segment and a second (floating) axis defined as the cross-product between the two other ones (named mobile axes). To compare these four distinct expressions on the knee joint, numerical simulations of perturbed skin marker trajectories are performed, based on experimental data recorded by a Motion Analysis system during a normal gait cycle. A significant difference is pointed out only for the internal-external rotation angle, for which the best expression - from the viewpoint of sensitivity to experimental errors - is obtained using the components of the attitude vector in a segment-embedded reference frame.

Adult↗

PubMed2001

A new approach to decoding life: systems biology.

Systems biology studies biological systems by systematically perturbing them (biologically, genetically, or chemically); monitoring the gene, protein, and informational pathway responses; integrating these data; and ultimately, formulating mathematical models that describe the structure of the system and its response to individual perturbations. The emergence of systems biology is described, as are several examples of specific systems approaches.

Animals↗

PubMed1995

Postural responses to platform perturbation: kinematics and electromyography.

Dynamic postural control may be studied using feedback paradigms which disturb standing balance. In this study the kinematics and electromyography of the reaction to an unexpected slip were examined simultaneously in 16 young, healthy volunteers to characterize the response to postural perturbation in the context of the perturbation characteristics. Kinematically, results showed ankle plantarflexion, knee flexion, hip extension, and shoulder flexion. Electromyographically, sequences of activation of the postural muscles of the leg were primarily anterior distal. Data is presented that supports a new model of the reaction to perturbation which incorporates the timing and type of muscular activity, the type of motion (active or passive), and the perturbation characteristics. RELEVANCE--:Understanding the interplay of the neurophysiological and biomechanical aspects of dynamic postural control gives insight into balance reactions. Simultaneous consideration of the kinematics, muscle activation, and perturbation characteristics allows a more comprehensive view of recovery of balance.

Journal Article↗

PubMed1989

Sampling intervals for clinical monitoring of variables during anesthesia.

Although five minutes is the sampling interval mentioned by the American Society of Anesthesiologists for monitoring blood pressure and heart rate during anesthesia, most patients are monitored more closely by continuous auscultation and with the help of automated instruments. Yet this difference between the interval recommended and that actually used indicates that sampling intervals are not defined clearly enough. Therefore, we present three methods with which to determine sampling intervals during monitoring. To explore the feasibility of these methods we examined data gathered every 7.5 seconds during three typical, noncatastrophic physiologic perturbations induced in an anesthetized dog. We chose hypercapnia secondary to rebreathing, hypotension secondary to deep anesthesia, and hypoxemia secondary to a low concentration of inspired oxygen as realistic examples of what can occur during operation and anesthesia. We studied three variables: respired carbon dioxide, femoral arterial blood pressure, and oxygen saturation of hemoglobin (pulse oximeter). The data obtained during monitoring were subjected to three methods of analysis: (1) recording of sets of data, with various starting times, at five-minute intervals only (moving grid); (2) Fourier analysis; and (3) analysis of slopes. For the data of the experiment, the Fourier analysis yielded, on average, longer sampling intervals than did the analysis of slopes.

Anesthesia, General↗