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Results for “Equilibrium optimization”

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At least 397 records · Page 22Linked to original sources

PubMed2004

The mechanism of nutrients dissolved out of a synthetic composite bead filter material in a biofilter.

In this study, an optimal process to prepare a synthetic material having nutrient (PVA/peat/KNO(3) composite bead) is developed. The equilibrium water-soluble nitrogen content in the composite bead prepared by this process is 8.25-10.06 mg N/g dry solid. The mass-transport process for the water-soluble nitrogen dissolved out of the composite bead was also investigated. The dissolved out process occurs in two stages: external mass transport occurs in the early stage and the intraparticle diffusion process occurs in the long-term stage. The rate of water-soluble nitrogen dissolved out in both stages is concentration dependent. The path of nitrogen dissolved out is that the nitrogen dispersed in the peat and PVA phases simultaneously diffused into the outer PVA phase and out of the bead surface. The moisture holding capacity of the composite bead bed is better than the compost bed. The percentage of removed volatile organic compounds (VOCs) can remain at levels higher than 99% for a longer time (about 230 d) as the composite bead immersed in a KNO(3) aqueous solution before packing with an optimal concentration of KNO(3) aqueous solution of 0.384 M. The rate of nitrogen dissolved out in the intraparticle diffusion process could be used as an index to predict the microbial growth rate in the biofilter.

Air Pollutants↗

PubMed1997

Equilibrium of phosphointermediates of sodium and potassium ion transport adenosine triphosphatase: action of sodium ion and Hofmeister effect.

Sodium and potassium ion transport adenosine triphosphatase accepts and donates a phosphate group in the course of its reaction sequence. The phosphorylated enzyme has two principal reactive states, E1P and E2P. E1P is formed reversibly from ATP in the presence of Na+ and is precursor to E2P, which equilibrates with P(i) in the presence of K+. We studied equilibrium between these states at 4 degrees C and the effect of Na+ on it. To optimize the reaction system we used a Hofmeister effect, replacing the usual anion, chloride, with a chaotropic anion, usually nitrate. We phosphorylated enzyme from canine kidney with [32P]ATP. We estimated interconversion rate constants for the reaction E1P <--> E2P and their ratio. To estimate rate constants we terminated phosphorylation and observed decay kinetics. We observed E1P or E2P selectively by adding K+ or ADP respectively. K+ dephosphorylates E2P leaving E1P as observable species; ADP dephosphorylates E1P leaving E2P as observable species. We fitted a 2-pool model comprising two reactive species or a twin 2-pool model, comprising a pair of independent 2-pool models, to the data and obtained interconversion and hydrolysis rate constants for each state. Replacing Na+ with Tris+ or lysine+ did not change the ratio of interconversion rate constants between E1P and E2P. Thus Na+ binds about equally strongly to E1P and E2P. This conclusion is consistent with a model of Pedemonte (1988. J. Theor. Biol. 134:165-182.). We found that Na+ affected another equilibrium, that of transphosphorylation between ATP x dephosphoenzyme and ADP x E1P. We used the reactions and model of Pickart and Jencks (1982. J. Biol. Chem. 257:5319-5322.) to generate and fit data. Decreasing the concentration of Na+ 10-fold shifted the equilibrium constant 10-fold favoring ADP x E1P over ATP x dephosphoenzyme. Thus Na+ can dissociate from E1P x Na3. Furthermore, we found two characteristics of Hofmeister effects on this enzyme.

Adenosine Diphosphate↗

PubMed2004

Shape optimization of a cementless hip stem for a minimum of interface stress and displacement.

The primary stem stability is an essential factor for success of cementless hip stems. A correct choice of the stem geometry can improve the stem stability and, consequently, increase the life time of a hip implant. In this work, it is proposed a computational model for shape optimization of cementless hip stems. The optimization problem is formulated by the minimization of relative displacement and stress on bone/stem interface using a multi-criteria objective function. Also multiple loads are considered to incorporate several daily life activities. Design variables are parameters that characterize the geometry of selected cross sections, which are subject to geometric constraints to ensure a clinically admissible shape. The stem/bone set is considered a structure in equilibrium with contact conditions on interface. The contact formulation allows us to analyze different lengths of porous coating. The optimization problem is solved numerically by a steepest descent method. The interface stress and relative displacement are obtained solving the contact problem by the finite element method. Numerical examples are presented for a two-dimensional model of a hip stem, however, the formulation is general and can be applied to the three-dimensional case. The model gives indications about the relation between shape, porous coating and prosthesis stability.

Hip Prosthesis↗

PubMed2005

Theoretical studies of UO2(H2O)n(2+), NpO2(H2O)n(+), and PuO2(H2O)n(2+) complexes (n=4-6) in aqueous solution and gas phase.

Extensive ab initio calculations both in gas phase and solution have been carried out to study the equilibrium structure, vibrational frequencies, and bonding characteristics of various actinyl (UO2(2+), NpO2(+), and PuO2(2+)) and their hydrated forms, AnO2(H2O)n(z+) (n=4, 5, and 6). Bulk solvent effects were studied using a continuum method. The geometries were fully optimized at the coupled-cluster singles + doubles (CCSD), density-functional theory (DFT), and Møller-Plesset (MP2) level of theories. In addition vibrational frequencies have been obtained at the CCSD as well as MP2/DFT levels. The results show that both the short-range and long-range solvent effects are important. The combined discrete-continuum model, in which the ionic solute and the solvent molecules in the first and second solvation shells are treated quantum mechanically while the solvent is simulated by a continuum model, can predict accurately the bonding characteristics. Moreover, our values of solvation free energies suggest that five- and six-coordinations are equally preferred for UO2(2+), and five-coordinated species are preferred for NpO2(+) and PuO2(2+). On the basis of combined quantum-chemical and continuum treatments of the hydrated complexes, we are able to determine the optimal cavity radii for the solvation models. The coupled-cluster computations with large basis sets were employed for the vibrational spectra and equilibrium geometries both of which compare quite favorably with experiment. Our most accurate computations reveal that both five- and six-coordination complexes are important for these species.

Journal Article↗

PubMed1987

Optimal thermal management for low birth weight infants nursed under high-powered radiant warmers.

Servocontrol of skin temperature for the critically ill premature neonate nursed on a radiant warmer bed has been assumed to be analogous to skin temperature control for infants nursed in convection-warmed incubators. There are significant differences between these two warming techniques, and no definitive data exist to aid the clinical specialist in governing radiant warmer control. Eighteen low birth weight premature infants less than 2 weeks of age were studied under powerful overhead radiant warmers to determine the optimal skin temperature for servocontrol of radiant heater output. Anterior abdominal wall temperature was servocontrolled at 35.5 degrees, 36.5 degrees, and 37.5 degrees C in a randomized fashion for three periods of 90 minutes each after thermal equilibrium was established. Oxygen consumption was measured during the entire 90-min sample period at each temperature by a computerized metabolic apparatus to determine the optimal thermal neutral control temperature defined as minimal oxygen consumption with normal body temperature. Skin, deep rectal, and environmental temperature measurements, as well as behavior assessments, were made concurrently. Oxygen consumption was significantly elevated at 35.5 degrees C (8.62 +/- 0.73 mL/kg/min, mean +/- SEM) compared with 36.5 degrees C (7.30 +/- 0.55 mL/kg/min). Changing servocontrol temperature to 37.5 degrees C produced no further significant decrease in oxygen consumption (7.41 +/- 0.70 mL/kg/min), and nine infants manifested supranormal deep rectal temperatures (greater than 37.5 degrees C). Optimal abdominal skin temperature control at 36.5 degrees C (slightly warmer than previously reported but less than 37.5 degrees C) is recommended for premature neonates nursed on radiant warmer beds.(ABSTRACT TRUNCATED AT 250 WORDS)

Beds↗

PubMed2005

Assessment of dyssynchrony in patients with severe heart failure by nuclear imaging: paradise lost and regained or lost and gone forever?

Cardiac resynchronization therapy, based on biventricular and/or left ventricular preexcitation, is a recently introduced therapeutic option for patients with severe heart failure and intraventricular conduction disturbances. The invasive nature and expense of resynchronization therapy has highlighted the need to prospectively identify optimal candidates, because of the poor correlation of QRS duration with patient response. Scintigraphy and positron emission tomography made it possible the research investigation of the pathophysiological consequences of cardiac conduction disturbances on myocardial contraction, metabolism, and perfusion. Increasing evidence shows that nuclear imaging techniques allow a comprehensive evaluation of the candidates to resynchronization. In fact, phase analysis of equilibrium radionuclide angiography enables a simple, quick and reliable measurement of both of inter- and intraventricular mechanical dyssynchrony, affording an optimal predictive accuracy of the response. In addition, being scintigraphic data highly reproducible, they are suitable for sequential longitudinal follow-up of the ventricular performance and mechanical dyssynchrony in patients implanted with devices.

Arrhythmias, Cardiac↗

PubMed1989

Continuous volume infusion improves circulatory stability in anesthesized rats.

'Optimized' management (OM) was provided to chloralose-anesthetized rats for 12 h by combining continuous infusion (7 ml.kg-1). mechanical ventilation and strict control of acid-base equilibrium (n = 7). The chloralose-anesthetized rats managed conventionally (conventional management: CM, n = 9) received neither volume infusion, nor mechanical ventilation, nor correction of acid-base disturbances. All the OM rats completed the study while 6 out of 9 CM rats died before the end of the study period. Mean arterial pressure (MAP) remained at 100 mmHg for 12 h in the OM group. MAP stayed close to 70 mmHg in the CM group for 6 h and declined to very low levels thereafter (mean +/- S.E.M.: 46.0 +/- 3.9 mmHg at 12 h, P less than 10(-4) when compared to the other group). Central venous pressure and cardiac output remained close to baseline values for 12 h in the OM group. Acid-base equilibrium was preserved in the OM group in contrast to a severe metabolic acidosis in the CM group (pH = 7.14 +/- 0.03 at 12 h; P less than 10(-4). Such as 'optimized' management involving mechanical ventilation with oxygen, continuous infusion and acid-base monitoring may be of value to maintain circulatory stability in anesthetized rodent preparations during long periods of time, as in neurophysiological experiments.

Anesthesia↗

PubMed1976

Maximization of steady-state bacterial production in a chemostat with pH and substrate control.

This analytical study deals with the steady-state behavior and control of microbial growth in continuous cultures. A second order Haldane-Monod model of continuous cultures is used as a basis for study of the effects of the adjustment of pH by the addition of acidic (or basic) materials. The treatment of a hydrogen ion concentration, in addition to substrate and microbial concentrations as state variables, results in a third order system of equations describing the process. The analysis of the system in equilibrium yields several admissible steady states, that is, steady states which satisfy all constraints. An optimal control problem is formulated and subsequently solved to maximize steady-state microbial production.

Bacteria↗

PubMed1997

The presence of angiotensin II receptors in elasmobranchs.

The presence of specific Ang II receptors in membrane fractions was investigated using 125I-labeled homologous Ang II ([Asn1, Pro3, Ile5]Ang II; df Ang II) in Triakis scyllia. Specific binding sites occurred in a variety of tissues, with highest binding in interrenal tissue (17.11 +/- 2.45 fmol Ang II/mg protein) and gill (6.26 +/- 0. 69 fmol Ang II/mg protein) and possible Ang II receptors in rectal gland and other tissues. 125I-[Asn1, Pro3, Ile5]Ang II (10(-10)M) binding to branchial cell membrane fraction (25 microg protein) in 5 mM MgCl2, 125 mM NaCl, 50 mM Tris-HCl, 0.2% bovine serum albumin at 28 degrees (1) is rapid and saturable; (2) increases as a function of membrane concentration and time; and (3) optimally fits to a two-site (high-and low-affinity) model. The equilibrium dissociation constant (0.11 +/- 0.01 nM) and binding site concentration (35.00 +/- 1.16 fmol/mg protein) are similar to those of mammalian and avian vascular Ang II receptors. Bound labeled ligand was not competitively displaced by dogfish Ang I, dogfish C-type natriuretic peptide, bradykinin, or the AT1 receptor antagonist, CV 11974. The AT2 receptor antagonist, CGP 42112, was much less potent at displacing the labeled ligand compared to the unlabeled ligand.

Angiotensin II↗

PubMed1999

The maturase encoded by a group I intron from Aspergillus nidulans stabilizes RNA tertiary structure and promotes rapid splicing.

The AnCOB group I intron from Aspergillus nidulans self-splices, providing the Mg2+ concentration is >/= 15 mM. The splicing reaction is greatly stimulated by a maturase protein encoded within the intron itself. An initial structural and biochemical analysis of the splicing reaction has now been performed. The maturase bound rapidly to the precursor RNA (kon approximately 3 x 10(9) M(-1) min(-1)) and remained tightly bound (koff </= 0.04 min(-1)). The catalytic step of 5' splice-site cleavage occurred at a rate of up to 11 min(-1) under single turnover conditions. The maturase-assisted reaction of heat-denatured RNA proceeded at a rate of about 1 min(-1), arguing that there are early steps of folding that cannot be readily facilitated by the protein. pH analysis revealed a biphasic profile with a pKa of 7.0. The rate of the maturase-assisted reaction was independent of the Mg2+ concentration down to 3 mM. Self-splicing in optimal Mg2+ (>/= 150 mM) was tenfold slower, in part because of the existence of an equilibrium between folded and partially folded RNA. In contrast, the maturase very effectively stabilized tertiary structure in 5 mM Mg2+, a noticeable example being an interaction between the P8 helix and a GNRA sequence that constitutes the L2 terminal loop of the P2 helix. Formation of the 5' splice-site recognition helix was assisted by either the maturase or high concentrations of Mg2+. The maturase was required during splicing so it is not a true chaperone. However, RNase protection assays and kinetic studies suggest that the maturase recognizes and facilitates folding of an intron with limited tertiary structure and even incomplete secondary structure.

Aspergillus nidulans↗

PubMed1989

Binding parameters of monoclonal antibodies reacting with ovarian carcinoma ascites cells.

Binding parameters were determined for four mouse monoclonal antibodies reacting with three antigens on the surface of fresh human ovarian carcinoma ascites cells, under nearly physiological conditions. The object of these experiments was to aid in the selection of the optimal monoclonal antibodies for intraperitoneal immunotherapy. The number of antigenic sites per cell, the effective equilibrium association constant (affinity) and the half-life for dissociation were: for Ab MH99, 1.2 x 10(6) sites/cell, (1.9-4.1) x 10(8) M-1, and 4 h; for Ab MX35, (3.2-4.1) x 10(5) sites/cell, (3.4-4.8) x 10(8) M-1, and greater than 10 h; and for Ab MW207, 1.3 x 10(5) sites/cell, (3.6-4.1) x 10(9) M-1, and 3.1 h, respectively. One of the antigens, MH99, is recognized by five different monoclonal antibodies, and competitive inhibition experiments demonstrated that two distinct determinants are present; this antigen is also recognized by the previously described Ab 17-1A. These binding data will aid the rational design of immunotherapy strategies.

Animals↗

PubMed1985

On the stability of cognitive processes.

An empirical and mathematical model for self-organization is proposed, based on elemental properties, on unique interaction and on the combination of hierarchical elements. In the model, higher elements are stabilized by the 'cognitive' (strong) interaction of subelements, disregarding intermediate elements. This is called 'elementary reductionism' and is illustrated by the sequence quarks-elementary particles-atoms-molecules-cells-organisms- societies. Optimal dynamic interaction of nonidentical elements is called 'cognitive stability'. This is compared with thermodynamic equilibrium. The principal differences are outlined.

Actins↗

PubMed1983

Plasma level monitoring of antiarrhythmic drugs.

It is widely accepted that the effects (both cardiac and extracardiac) of antiarrhythmic drugs are modulated by their concentration at some unidentified active site, and that the drug concentrations in the systemic circulation and at these active sites are in equilibrium. Thus, antiarrhythmic drug effects can be related directly to systemic plasma concentrations, and an optimal plasma concentration can be identified at which satisfactory arrhythmia suppression can be achieved in the absence of intolerable adverse effects. This optimal concentration is influenced by several factors that give rise to significant interpatient variability. These factors include serum protein binding, active metabolites, intrinsic responsiveness and myocardial accumulation. Although plasma concentration guidelines have been suggested for most antiarrhythmic drugs, they are generally not statistically derived and, with the exception of procainamide, are extrapolated from small patient samples. They generally represent the experience of an investigator or group of investigators treating a small homogeneous patient population. Interpretation of plasma concentrations of antiarrhythmic drugs also requires consideration of pharmacokinetic factors. Plasma drug levels are only useful when dosing history and timing of the blood sample, relative to drug administration, are considered. Despite several limitations, plasma concentration monitoring of antiarrhythmic drugs can be helpful if evaluated with an understanding of the pharmacokinetic properties of the drug being measured, the clinical status of the patient and an appreciation of the factors that may influence the relation between the measured level and resultant clinical response.

Anti-Arrhythmia Agents↗

PubMed1993

Characterisation of the binding of [3H]FR115427, a novel non-competitive NMDA receptor antagonist, to rat brain membranes.

The binding of [3H]FR115427 ([3H](+)-1-methyl-1-phenyl-1,2,3,4- tetrahydroisoquinoline) to rat cortical synaptosomal membranes was investigated. Binding was optimal at pH 7.4-8.0, and temperature had little effect on specific binding. Binding reached equilibrium within 30 min at 25 degrees C, and was reversible in the presence of excess unlabelled FR115427. [3H]FR115427 bound to a single population of non-interacting sites with an affinity of 45.4 +/- 3.9 nM, and a binding site density of 9.12 +/- 0.52 pmol/mg protein. The affinities of other N-methyl-D-aspartate (NMDA) receptor channel blockers for [3H]FR115427 binding sites were consistent with binding to a similar site to that occupied by dizocilpine. Binding was potentiated by L-glutamate and glycine with EC50 values of around 80 nM. In the presence of L-glutamate (10 microM), specific binding was increased 4-fold, whilst addition of glycine (10 microM) increased specific binding 2-fold. FR115427 exhibited marked stereoselectivity; (+)-FR115427 has 100-fold higher affinity than (-)-FR115427. This ligand may therefore be useful for the pharmacological investigation of the NMDA receptor ion channel.

Animals↗

PubMed2005

Dynamics and mechanism of the Tanford transition of bovine beta-lactoglobulin studied using heteronuclear NMR spectroscopy.

The Tanford transition is a conformational change of bovine beta-lactoglobulin (betaLG) occurring at around pH 7, identified originally on the basis of optical rotatory dispersion and the accessibility of a thiol group. X-ray analysis has suggested that a conformational change to the EF-loop is responsible for the Tanford transition, with the loop closing the hydrophobic cavity of the beta-barrel of the betaLG molecule below pH 7 and flipping to open the cavity above pH 7. To clarify the dynamics of this conformational change, NMR measurements were made at neutral pH. Since severe signal broadening due to monomer-dimer equilibrium prevented NMR measurements of wild-type betaLG at neutral pH, we searched for optimal sample conditions, finding that a disulfide bond-linked dimer of the mutant A34C gives an HSQC spectrum without signal broadening. The HSQC and CD spectra indicated that in overall conformation A34C is similar to wild-type betaLG, suggesting that the A34C dimer is a good model with which to study the structure and dynamics of the wild-type at neutral pH. The pH-dependent HSQC signal changes and Lipari-Szabo type relaxation analyses of the A34C dimer revealed that the conformational change to the EF-loop occurs above pH 7. We observed two types of motions in the EF-loop region; relatively fast (micro- to milliseconds) and slow (milliseconds or slower) conformational exchanges of the residues located in the hinge and top of the EF-loop regions, respectively. Furthermore, the GH-loop adjacent to the EF-loop exhibited conformational change at a pH slightly lower than that at which the EF-loop motions occurred. From these observations, we propose a three-step mechanism of conformational change in the EF-loop leading to the Tanford transition, in which the GH-loop conformational change, the cleavage of the hydrogen bonds at the hinge, and the flip of the EF-loop occur sequentially.

Animals↗

PubMed1976

Synthesis of L-fucose 2-, 3-, and 4-sulphates.

Treatment of L-fucose with an excess pf pyridine-sulphur trioxide gave an equilibrium mixture of mono-, di-, and tri-sulphates. L-Fucose was sulphated under optimal conditions for monosulphate formation, and the monoester fraction was isolated by chromatography on DEAE-cellulose. The isomeric L-fucose 2-, 3-, and 4-sulphates (1-3) were separated on a DEAE-cellulose column by elution with borate buffer. The structures of 1-3 were established by electrophoresis, colour tests, periodate oxidation, and, for the 2-isomer, by comparison with a specimen of 1 that had been definitively synthesised via methyl 3,4-O-isopropylidene-alpha-L-fucopyranoside (6) and methyl alpha-L-fucopyranoside 2-(barium sulphate) (5). The latter was rapidly hydrolysed in hot, dilute acetic acid to 1 and methyl alpha-L-fucopyranoside (4).

Chemical Phenomena↗

PubMed1999

Pore structure and adsorption performance of the activated carbons prepared from plum kernels.

According to iodine number, amount of methylene blue adsorption, the BET specific surface area, and the yield, the conditions for preparing activated carbons as adsorbents from plum kernels were optimized. The activation temperature and time tested were in the ranges 750-900 degrees C and 1-4 h, respectively. Adsorption isotherms of two commercial dyes and phenol from water on such activated carbons were measured at 30 degrees C. It was shown that the optimal activation temperature and time depended on the molar mass of the solutes, and all equilibrium isotherms could be fitted by the Langmuir equation. The experimental results indicated that the prepared activated carbons were economically promising for adsorption removal of dyes and phenol, in contrast to other commercial adsorbents.

Adsorption↗

PubMed1998

Hand trajectory formation during whole body reaching movements in man.

End-effector trajectory formation was studied during a reaching movement using the whole body. The movements of various parts of the body were measured with the optoelectronic ELITE system. Wrist reaching movement paths showed noticeable curvatures. The analysis of various marker onset latencies revealed that the wrist was the last to move, always after the head, knee or trunk, suggesting a subordinate role of the focal component with respect to the primary role of the equilibrium component. These results suggest that reaching wrist movements are subjected to whole-body equilibrium constraints in addition to constraints placed upon end-effector kinematics or the dynamic optimization of upper-limb movements.

Adult↗