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PubMed1996

Complexes of Zn(2+), Cd(2+), and Hg(2+) with 2-(alpha-Hydroxybenzyl)thiamine Monophosphate Chloride.

The binding sites of Zn(2+), Cd(2+), and Hg(2+) in complexes with 2-(alpha-hydroxybenzyl)thiamine monophosphate chloride, (LH)(+)Cl(-), have been investigated in the solid state [2-(alpha-hydroxybenzyl)thiamin monophosphate chloride monoprotonated at the phosphate group and protonated at N(1)' is denoted as (LH)(+)Cl(-); therefore, the ligand monoprotonated at the phosphate group and deprotonated at N(1)' is L]. Complexes of formulae MLCl(2), M(LH)Cl(3), and (MCl(4))(2)(-)(LH)(2)(+) (M = Zn(2+), Cd(2+), and Hg(2+)) were isolated in aqueous and methanolic solutions, depending on pH. The crystal structure of the complex of formula HgL(2)Cl(2) was solved, together with that of the free ligand (LH)(+)Cl(-), by X-ray crystallography. HgL(2)Cl(2) crystallizes in C2/c, with a = 32.968(6) Å, b = 7.477(2) Å, c = 21.471(4) Å, beta = 118.19(1) degrees, V = 4665(2) Å(3), and Z = 4. (LH)(+)Cl(-) crystallizes in Cc, with a = 10.951(3) Å, b = 17.579(4) Å, c = 13.373(3) Å, beta = 105.36(2) degrees, V = 2482.4(10) Å(3), and Z = 4. Mercury(II) binds to the N(1') of the pyrimidine ring. Both ligands are in the S conformation [Phi(T) = -98.1(9) degrees and Phi(P) = 176.1(10) degrees for HgL(2)Cl(2) and Phi(T) = 104.1(5) degrees and Phi(P) = 171.9(6) degrees for (LH)(+)Cl(-)]. (31)P and (13)C NMR spectra, together with vibrational spectra (IR/Raman), are used to deduce the binding sites of the metal and the protonation states of the ligand at various pH values. It is found that solid-state (31)P NMR spectroscopy is particularly useful in characterizing these complexes as the (31)P shielding tensors are sensitive to the state of the phosphate group. On the other hand, the (31)P NMR spectra indicate that direct bonding between Zn(2+) and Cd(2+) to the phosphate can occur under certain preparation conditions. Solid-state (13)C NMR and vibrational (IR/Raman) spectroscopic results are also in agreement with the other techniques.

Journal Article↗
PubMed2002

Are tidal volume measurements in neonatal pressure-controlled ventilation accurate?

Bedside pulmonary mechanics monitors (PMM) have become useful in ventilatory management in neonates. These monitors are used more frequently due to recent improvements in data-processing capabilities. PMM devices are often part of the ventilator or are separate units. The accuracy and reliability of these systems have not been carefully evaluated. We compared a single ventilatory parameter, tidal volume (V(t)), as measured by several systems. We looked at two freestanding PMMs: the Ventrak Respiratory Monitoring System (Novametrix, Wallingford, CT) and the Bicore CP-100 Neonatal Pulmonary Monitor (Allied Health Care Products, Riverside, CA), and three ventilators with built-in PMM: the VIP Bird Ventilator (Bird Products Corp., Palm Springs, CA), Siemens Servo 300A (Siemens-Elema AB, Solna, Sweden), and Drager Babylog 8000 (Drager, Inc., Chantilly, VA). A calibrated syringe (Hans Rudolph, Inc., Kansas City, MO) was used to deliver tidal volumes of 4, 10, and 20 mL to each ventilator system coupled with a freestanding PMM. After achieving steady state, six consecutive V(t) readings were taken simultaneously from the freestanding PMM and each ventilator. In a second portion of the bench study, we used pressure-control ventilation and measured exhaled tidal volume (V(te)) while ventilating a Bear Test Lung with the same three ventilators. We adjusted peak inspiratory pressure (PIP) under controlled conditions to achieve the three different targeted tidal volumes on the paired freestanding PMM. Again, six V(te) measurements were recorded for each tidal volume. Means and standard deviations were calculated.The percentage difference in measurement of V(t) delivered by calibrated syringe varied greatly, with the greatest discrepancy seen in the smallest tidal volumes, by up to 28%. In pressure control mode, V(te) as measured by the Siemens was significantly overestimated by 20-95%, with the biggest discrepancy at the smallest V(te), particularly when paired with the Bicore PMM. V(te), as measured by the VIP Bird and Drager paired with the Ventrak PMM, had a tendency to underestimate V(t) by up to 25% at the smallest V(te). However, when paired with the Bicore PMM, these same two ventilators read over target by up to 18%. Under controlled laboratory conditions, we demonstrated that true delivered V(te), as measured by the three ventilators and two freestanding PMM, differed markedly. In general, decreasing dynamic compliance of the tubing was not associated with greater inaccuracy in V(te) measurements.

Calibration↗
PubMed2003

Aqua Ions. 2. Structural manifestations of the Jahn-Teller effect in the beta-alums.

Variable-temperature single-crystal neutron diffraction structures of the alums CsM(III)(SO(4))(2).12D(2)O, where M(III) = Ti, V, Mn, and Ga, are reported. Structural differences are highlighted by the titanium and manganese alums, which undergo cubic (Pathremacr;) to orthorhombic (Pbca) phase transitions at approximately 13 and approximately 156 K, respectively. The structural instability exhibited by these salts is interpreted as arising from cooperative Jahn-Teller interactions, and these measurements characterize the structural changes that result from the coupling between the electronic and vibrational states. Although the symmetry changes associated with the phase transformations are analogous for the Ti and Mn alums, the low-temperature geometries of the tervalent hexaaqua cations are markedly different. Whereas the MnO(6) framework is subject to a pronounced tetragonal elongation, changes in the Ti-O bond lengths are very modest; but significant changes in the O-Ti-O bond angles and in the disposition of the coordinated water molecules are identified. The large differences in the transition temperatures and in the low-temperature stereochemistries of the [Ti(OD(2))(6)](3+) and [Mn(OD(2))(6)](3+) cations are related to the sensitivity of the energies of the t(2g) (O(h)) and e(g) (O(h)) orbitals to the various asymmetric vibrations of the hexaaqua complex.

Journal Article↗
PubMed2002

Inelastic neutron scattering on three mixed-valence dodecanuclear polyoxovanadate clusters.

The magnetic exchange interactions in the mixed-valence dodecanuclear polyoxovanadate compounds Na(4)[V(IV)(8)V(V)(4)As(III)(8)O(40)(H(2)O)].23H(2)O, Na(4)[V(IV)(8)V(V)(4)As(III)(8)O(40)(D(2)O)].16.5D(2)O, and (NHEt(3))(4)[V(IV)(8)V(V)(4)As(III)(8)O(40)(H(2)O)].H(2)O were investigated by an inelastic neutron scattering (INS) study using cold neutrons. In addition, the synthesis procedures and the single-crystal X-ray structures of these compounds have been investigated together with the temperature dependence of their magnetic susceptibilities. The magnetic properties below 100 K can be described by simply taking into account an antiferromagnetically exchange coupled tetramer, consisting of four vanadium(IV) ions. Up to four magnetic transitions between the cluster S = 0 ground state and excited states could be observed by INS. The transition energies and the relative INS intensities could be modeled on the basis of the following exchange Hamiltonian: H(ex) = -2J(12)(xy)[S(1x)S(2x)+ S(3x)S(4x)+ S(1y)S(2y)+ S(3y)S(4y)] - 2J(12)(z)[(S(1z)S(2z)+ S(3z)S(4z)] - 2J(23)(xy)[(S(2x)S(3x)+ S(1x)S(4x)+ S(2y)S(3y)+ S(1y)S(4y)] - 2J(23)(z)[(S(2z)S(3z)+ S(1z)S(4z)]. The following sets of parameters were derived: for Na(4)[V(12)As(8)O(40)(H(2)O)].23H(2)O, J(12)(xy)() = J(12)(z)= -0.80 meV, J(23)(xy) = J(23)(z) = -0.72 meV; for Na(4)[V(12)As(8)O(40)(D(2)O)].16.5D(2)O, J(12)(xy) = J(12)(z) = J(23)(xy) = J(23)(z = -0.78 meV; for (NHEt(3))(4)[V(12)As(8)O(40)(H(2)O)].H(2)O, J(12)(xy) = -0.80 meV, J(12)(z) = -0.82 meV, J(23)(xy)() = -0.67 meV, J(23)(z) = -0.69 meV. This study of the same [V(12)As(8)]-type cluster in three different crystal environments allows us to draw some conclusions concerning the applicability on INS in the area of nondeuterated molecular spin clusters. In addition, the effects of using nondeuterated samples and different sample container shapes for INS were evaluated.

Journal Article↗
PubMed1994

The pharmacology and function of central GABAB receptors.

In conclusion, GABAB receptors enable GABA to modulate neuronal function in a manner not possible through GABAA receptors alone. These receptors are present at both pre- and postsynaptic sites and can exert both inhibitory and disinhibitory effects. In particular, GABAB receptors are important in regulating NMDA receptor-mediated responses, including the induction of LTP. They also can regulate the filtering properties of neural networks, allowing peak transmission in the frequency range of theta rhythm. Finally, GABAB receptors are G protein-coupled to a variety of intracellular effector systems, and thereby have the potential to produce long-term changes in the state of neuronal activity, through actions such as protein phosphorylation. Although the majority of the effects of GABAB receptors have been reported in vitro, recent studies have also demonstrated that GABAB receptors exert electrophysiological actions in vivo. For example, GABAB receptor antagonists reduce the late IPSP in vivo and consequently can decrease inhibition of spontaneous neuronal firing following a stimulus (Lingenhöhl and Olpe, 1993). In addition, blockade of GABAB receptors can increase spontaneous activity of central neurons, suggesting the presence of GABAB receptor-mediated tonic inhibition (Andre et al., 1992; Lingenhöhl and Olpe, 1993). Despite these electrophysiological effects, antagonism of GABAB receptors has generally been reported to produce few behavioral actions. This lack of overt behavioral effects most likely reflects the modulatory nature of the receptor action. Nevertheless, two separate behavioral studies have recently reported an enhancement of cognitive performance in several different animal species following blockade of GABAB receptors (Mondadori et al., 1992; Carletti et al., 1993). Because of their small number of side effects, GABAB receptor antagonists may represent effective therapeutic tools for modulation of cognition. Alternatively, the lack of overt behavioral effects of GABAB receptors may indicate that these receptors are more important in pathologic rather than normal physiological states (Wojcik et al., 1989). For example, a change in receptor affinity or receptor number brought on by the pathology could enhance the effectiveness of GABAB receptors. Of significance, CGP 35348 has been shown to block absence seizures in genetically seizure prone animals, while inducing no seizures in control animals (Hosford et al., 1992; Liu et al., 1992). Thus, GABAB receptors may represent effective sites for pharmacological regulation of absence seizures. Perhaps further behavioral effects of these receptors will become apparent only after additional studies have been performed using the highly potent antagonists that have been recently introduced.(ABSTRACT TRUNCATED AT 400 WORDS)

Animals↗
PubMed2005

ATP-sensitive K+ channel channel/enzyme multimer: metabolic gating in the heart.

Cardiac ATP-sensitive K(+) (K(ATP)) channels, gated by cellular metabolism, are formed by association of the inwardly rectifying potassium channel Kir6.2, the potassium conducting subunit, and SUR2A, the ATP-binding cassette protein that serves as the regulatory subunit. Kir6.2 is the principal site of ATP-induced channel inhibition, while SUR2A regulates K(+) flux through adenine nucleotide binding and catalysis. The ATPase-driven conformations within the regulatory SUR2A subunit of the K(ATP) channel complex have determinate linkage with the states of the channel's pore. The probability and life-time of ATPase-induced SUR2A intermediates, rather than competitive nucleotide binding alone, defines nucleotide-dependent K(ATP) channel gating. Cooperative interaction, instead of independent contribution of individual nucleotide binding domains within the SUR2A subunit, serves a decisive role in defining K(ATP) channel behavior. Integration of K(ATP) channels with the cellular energetic network renders these channel/enzyme heteromultimers high-fidelity metabolic sensors. This vital function is facilitated through phosphotransfer enzyme-mediated transmission of controllable energetic signals. By virtue of coupling with cellular energetic networks and the ability to decode metabolic signals, K(ATP) channels set membrane excitability to match demand for homeostatic maintenance. This new paradigm in the operation of an ion channel multimer is essential in providing the basis for K(ATP) channel function in the cardiac cell, and for understanding genetic defects associated with life-threatening diseases that result from the inability of the channel complex to optimally fulfill its physiological role.

ATP-Binding Cassette Transporters↗
PubMed2000

Contribution of the cerebellar anterior vermis to the gain and spatiotemporal properties of the vestibulospinal reflex: a behavioural and cellular analysis.

Functional inactivation of the lobules IV-V of the cerebellar vermis obtained by local microinjection of the GABA-A agonist muscimol, depresses, in decerebrate cats, the amplitude of the VS reflex recorded from the forelimb extensor TB and may occasionally affect its spatial and/or temporal properties. The activity changes induced by tilting the animal head in all the possible directions were uniformely reduced. Experiments of unit recording from the same region submitted in other experiments to the drug injection, revealed that a large proportion of P-cells (67%) showed spatially tuned responses to the labyrinth input, characterized by preferred directions which were uniformely scattered over the horizontal plane. Neurons with opposite orientations could be found within a relatively narrow volume of corticocerebellar tissue, that could have been easily inactivated by injected volumes (0.25 microliter, 8 micrograms/microliter) of muscimol. We proposed that the spatial tuning of the P-cell responses to the labyrinth input is a basic property which allows the cerebellum to control the gain of VS reflexes elicited by head tilts in a broad directional range.

Animals↗
PubMedDate not supplied

Changes in gain and spatiotemporal properties of the vestibulospinal reflex after injection of a GABA-A agonist in the cerebellar anterior vermis.

Experiments were performed to study the influence of the cerebellar anterior vermis on both amplitude and directional properties of the vestibulospinal (VS) reflexes. In decerebrate cats, the multiunit EMG activity of the medial head of the forelimb extensor triceps brachii was recorded during wobble of the whole animal at 0.15 Hz. With this procedure the animals were submitted to a tilt characterized by a fixed amplitude (10 degrees) and by a direction moving at constant velocity over the horizontal plane, in both a clockwise (CW) and a counterclockwise (CCW) direction. These dynamic stimuli permitted characterization of the triceps muscle response to animal tilt as a single vector in the horizontal plane. The gain of this vector was taken as the mean value obtained for the CW and CCW responses, while its orientation corresponded to the direction of head displacement, lying midway between the maximal response directions to CW and CCW rotations. The temporal phase was evaluated as the half difference between the directions of the CW and CCW responses. In all the experiments the response vector of the triceps brachii was closely aligned with the transverse axis and pointed to the side-down direction. Unilateral inactivation of the cerebellar anterior vermis after microinjection, in one or two folia of lobule V, of the GABA-A agonist muscimol (0.5 microL at 8 micrograms/microL saline), consistently and reversibly reduced in 20 to 40 min the amplitude of the EMG modulation of the ipsilateral triceps brachii to 46% to 80% of the control value, while only a small shift (up to 30 degrees) of the response vector occurred either nosewards or tailwards. Small shifts in temporal phase were also observed. These findings suggest that the Purkinje (P)-cells, which usually fire out of phase with respect to the VS neurons, contribute positively to the amplitude of the VS reflexes. It was previously shown that P-cells with response vectors covering all the directions of animal displacement are present in small regions of the cerebellar anterior vermis; it is likely that these neurons represent functional units facilitating the VS reflexes elicited by animal tilt in the direction of their response vectors. By suppressing the activity of these cells, muscimol injections would lead to a general depression of the triceps responses to animal displacement, not associated with prominent changes in directional specificity.

Animals↗
PubMed2026

Sungouiella purgamenti sp. nov., a yeast isolated from hospital wastewater in Brazil: a taxogenomic analysis.

Yeasts recovered from wastewater of a public hospital in Minas Gerais state, Brazil, included a single isolate representing a putative novel species. Sequence analysis of the ITS-5.8S region and the D1/D2 domains of the LSU rRNA gene placed this yeast within the genus Sungouiella, close to Sungouiella thailandica. Phylogenomic inference based on 1,849 single-copy orthologues from Sungouiella species with available genomes confirmed that strain UFMG-CM-Y7468 forms a distinct lineage with S. thailandica as its closest known relative. The name Sungouiella purgamenti sp. nov. (MycoBank MB 863665) is proposed, with CBS 19634 designated as the holotype. The isolate was able to grow at 37 °C, showed susceptibility to most antifungal agents tested, except for itraconazole with an MIC of 0.5 mg l-1, within the dose-dependent range, and exhibited strong extracellular protease activity. However, S. purgamenti showed a genomic toolkit consistent with a stress-tolerant and environmentally versatile lifestyle, while no specific or unique virulence determinants were identified based on genome content alone.

Brazil↗
PubMed2006

The usability axiom of medical information systems.

INTRODUCTION: In this article we begin by connecting the concept of simplicity of user interfaces of information systems with that of usability, and the concept of complexity of the problem-solving in information systems with the concept of usefulness. We continue by stating "the usability axiom" of medical information technology: information systems must be, at the same time, usable and useful. We then try to show why, given existing technology, the axiom is a paradox and we continue with analysing and reformulating it several times, from more fundamental information processing perspectives. DISCUSSION: We underline the importance of the concept of representation and demonstrate the need for context-dependent representations. By means of thought experiments and examples, we advocate the need for context-dependent information processing and argue for the relevance of algorithmic information theory and case-based reasoning in this context. Further, we introduce the notion of concept spaces and offer a pragmatic perspective on context-dependent representations. We conclude that the efficient management of concept spaces may help with the solution to the medical information technology paradox. Finally, we propose a view of informatics centred on the concepts of context-dependent information processing and management of concept spaces that aligns well with existing knowledge centric definitions of informatics in general and medical informatics in particular. In effect, our view extends M. Musen's proposal and proposes a definition of Medical Informatics as context-dependent medical information processing. SUMMARY: The axiom that medical information systems must be, at the same time, useful and usable, is a paradox and its investigation by means of examples and thought experiments leads to the recognition of the crucial importance of context-dependent information processing. On the premise that context-dependent information processing equates to knowledge processing, this view defines Medical Informatics as a context-dependent medical information processing which aligns well with existing knowledge centric definitions of our field.

Algorithms↗
PubMed1994

Calcium current and inactivation in identified neurons in Hermissenda crassicornis.

1. N-type (omega-conotoxin sensitive) calcium currents (ICa) were recorded in identified neurons in Hermissenda crassicornis using low-resistance patch electrodes (0.7 +/- 0.3 M omega; n = 101) under conditions that eliminated inward Na+ currents (choline ions substitution) and suppressed outward K+ currents (Cs+, tetraethylammonium, and 4-AP). Step depolarization from a holding potential of -60 mV to potentials above -30 mV elicited ICa, which peaked approximately 20 mV and declined with increasing depolarizations. 2. Evidence for a low-threshold current was present. Step depolarization from a more hyperpolarizing potentials (e.g., -90 mV) revealed a small shoulder (< 100 pA) at -60 to -40 mV that was sensitive to Co2+ and Ni2+. However, under the conditions examined here (holding potential of -60 mV), the high-voltage-activated current predominated. 3. Barium (Ba2+) and strontium (Sr2+) permeate the Ca2+ channel with similar activation kinetics (ease of permeation; Ba2+ > Ca2+ > Sr2+). Steady-state activation of permeability versus membrane potentials for Ca2+, Ba2+, and Sr2+ as charge carriers could be fitted with the Boltzmann equation, with half-activation voltage and slope factor of 2.9 and 7.7 mV for ICa, -13.1 mV and 7.8 for Ba2+ current (IBa) and -2.3 mV and 7.8 for Sr2+ current (ISr). The time course of activation was monotonic with time constant (tau) for ICa ranging from 2 to 8 ms. 4. The inactivation profile was complex. At negative step potentials (e.g., -20 mV), inactivation of the current was slow. Depolarization steps to relatively positive voltages (e.g., 10 mV) showed more rapid inactivation than those at more positive potentials (e.g., 40 mV). When extracellular Ca2+ was raised from 5 to 10 mM, a biphasic decay (tau fast of 25 +/- 4 ms; and tau slow of 473 +/- 64 ms; mean +/- SD, n = 9) was seen. Such an observation suggested a current-mediated inactivation. 5. With a pulse duration of approximately 350 ms, ISr showed inactivation whereas Ba2+ virtually removed the decay. However, IBa turned off with more prolonged depolarization. 6. A twin-pulse protocol was used to assess the voltage dependence of inactivation: an incomplete U-shaped inactivation curve was observed for ICa, IBa, and ISr. Channels available for inactivation were increased in the presence of Ca2+ ions. 7. Inactivation was further studied with the Ca2+ chelators, ethylene glycol-bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid and bis(o-aminophenoxy)-N,N,N',N'-tetraacetic acid (BAPTA). With 10 mM of BAPTA, in the pipette, inactivation was reduced but not removed.(ABSTRACT TRUNCATED AT 250 WORDS)

Animals↗