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At least 343 records · Page 19Linked to original sources
PubMed2005

Crop biotechnology provides an opportunity to develop a sustainable future.

The current reliance on petro-based fuels and chemicals is not sustainable. New technologies typically take approximately 25 years to penetrate the market; consequently, the development of viable alternatives is required in the near future. Plant-based systems capture solar energy and can be produced in a renewable manner. However, the harvestable parts are not well optimized for energy transfer and this has been a significant limitation to the development of economically viable and sustainable biomass energy systems. Biotechnology has provided a new toolset that can be used to design and optimize the capture of solar energy through crops. Further development of biotechnology and genomics tools will enable the development of crops with specific traits that are optimized for biofuels and bioenergy. The implementation of such a system will enable a sustainable platform for centuries to come and should be given a high priority in society.

Agriculture↗
PubMed2002

Photodynamic therapy of human Barrett's cancer using 5-aminolaevulinic acid-induced protoporphyrin IX: an in-vivo dosimetry study in athymic nude mice.

OBJECTIVE: There has been a dramatic increase in recent years in the incidence of Barrett's oesophagus and the oesophageal adenocarcinoma associated with it. Alongside surgical treatment for early Barrett's carcinomas, endoscopic treatment procedures such as photodynamic therapy (PDT), which have much lower complication and mortality rates, will play an increasing role in the future. In this study, the effects of light energy dose, light fractionation and oxygenation on the efficacy of PDT were investigated for the first time in an in-vivo nude mice tumour model bearing a human Barrett's carcinoma. DESIGN: A total of 387 NMRI strain (nu/nu) nude mice with thymic aplasia (total 53 controls) were transplanted with human Barrett's carcinoma and treated with laser light at 635 nm (light dose 0-200 J/cm2, fluence rate 400 mW/cm2). 5-Aminolaevulinic acid-induced protoporphyrin IX (5-ALA-PpIX) (100 mg 5-ALA/kg body weight administered orally) was used as the photosensitizer. METHODS: Fractionation studies were performed at 0, 50, 100 and 150 J/cm2. The light dose was administered in four equal fractions divided by three irradiation-free intervals of 120 s. Oxygenation studies were carried out at 150 J/cm2 with simultaneous oxygen supply of 2, 6 and 8 l oxygen/min. RESULTS: Dosimetry studies demonstrated a positive correlation between increase in light dose and tumour destruction up to 150 J/cm2 when using either continuous or fractionated light delivery. The optimal light energy dose was 150 J/cm2. Neither fractionation of light nor simultaneous oxygenation enhanced the efficacy of the PDT. CONCLUSION: This is the first study in the literature that proves the efficiency of PDT with 5-ALA-PpIX in human Barrett's adenocarcinoma and that demonstrates an exact dosimetry of the optimal light energy dose (150 J/cm2). No general recommendation can be made for the use of fractionation or oxygenation in clinical PDT.

Adenocarcinoma↗
PubMed1997

Autonomic and behavioral thermoregulation in guinea pigs during postnatal maturation.

Serial experiments were carried out on seven chronically instrumented Hartley-strain guinea pigs at 1, 3, and 5 wk of age to define their autonomic and behavioral thermoregulatory profiles and to test the hypothesis that they have the mechanisms in place shortly after birth that allow them to optimize their energy expenditure for thermoregulation by selecting a thermal environment that requires the lowest metabolic oxygen requirements. Each animal was studied in both a thermocline to determine selected ambient temperature and in a metabolic chamber to determine the thermoregulatory response to forced changes in ambient temperature. In the thermocline, the guinea pigs at all postnatal ages selected an ambient temperature that placed core temperature, oxygen consumption, thermal conductance, heart rate, and respiratory rate at levels comparable to those observed at ambient temperatures in which minimal oxygen consumption occurred in the metabolic chamber. Thus our experiments provide evidence that guinea pigs have the neurophysiological mechanisms in place shortly after birth that allow them to optimize their energy expenditure for thermoregulation by selecting a thermal environment that corresponds to the lowest metabolic oxygen requirements.

Aging↗
PubMed2000

Disulfide recognition in an optimized threading potential.

An energy potential is constructed and trained to succeed in fold recognition for the general population of proteins as well as an important class which has previously been problematic: small, disulfide-bearing proteins. The potential is modeled on solvation, with the energy a function of side chain burial and the number of disulfide bonds. An accurate disulfide recognition algorithm identifies cysteine pairs which have the appropriate orientation to form a disulfide bridge. The potential has 22 energy parameters which are optimized so the Protein Data Bank (PDB) structure for each sequence in a training set is the lowest in energy out of thousands of alternative structures. One parameter per amino acid type reflects burial preference and a single parameter is used in an overpacking term. Additionally, one optimized parameter provides a favorable contribution for each disulfide identified in a given protein structure. With little training, the potential is >80% accurate in ungapped threading tests using a variety of proteins. The same level of accuracy is observed in a threading test of small proteins which have disulfide bonds. Importantly, the energy potential is also successful with proteins having uncrosslinked cysteines.

Algorithms↗
PubMed2006

Tilted angle CZT detector for photon counting/energy weighting x-ray and CT imaging.

X-ray imaging with a photon counting/energy weighting detector can provide the highest signal to noise ratio (SNR). Scanning slit/multi-slit x-ray image acquisition can provide a dose-efficient scatter rejection, which increases SNR. Use of a photon counting/energy weighting detector in a scanning slit/multi-slit acquisition geometry could provide highest possible dose efficiency in x-ray and CT imaging. Currently, the most advanced photon counting detector is the cadmium zinc telluride (CZT) detector, which, however, is suboptimal for energy resolved x-ray imaging. A tilted angle CZT detector is proposed in this work for applications in photon counting/energy weighting x-ray and CT imaging. In tilted angle configuration, the x-ray beam hits the surface of the linear array of CZT crystals at a small angle. This allows the use of CZT crystals of a small thickness while maintaining the high photon absorption. Small thickness CZT detectors allow for a significant decrease in the polarization effect in the CZT volume and an increase in count rate. The tilted angle CZT with a small thickness also provides higher spatial and energy resolution, and shorter charge collection time, which potentially enables fast energy resolving x-ray image acquisition. In this work, the major performance parameters of the tilted angle CZT detector, including its count rate, spatial resolution and energy resolution, were evaluated. It was shown that for a CZT detector with a 0.7 mm thickness and 13 degrees tilting angle, the maximum count rate can be increased by 10.7 times, while photon absorption remains >90% at photon energies up to 120 keV. Photon counting/energy weighting x-ray imaging using a tilted angle CZT detector was simulated. SNR improvement due to optimal photon energy weighting was 23% and 14% when adipose contrast element, inserted in soft tissue with 10 cm and 20 cm thickness, respectively, was imaged using 5 energy bins and weighting factors optimized for the adipose. SNR improvement was 42% and 31% when CaCO(3) contrast element, inserted in soft tissue with 10 cm and 20 cm thickness, respectively, was imaged using 5 energy bins and weighting factors optimized for CaCO(3). The SNRs of the photon counting single-kVp dual-energy subtracted images of CaCO(3) and adipose were higher by 2.04 and 2.74 times, respectively, as compared to currently used dual-kVp dual-energy subtracted images. Experiments with a CZT crystal with 2 mm thickness have shown significant decrease in the tailing effect of the CZT pulse spectrum at 59 keV and 122 keV photon energies, when the tilting angle configuration was used. Finally, feasibility of the tilted angle CZT detector for photon counting cone beam breast CT imaging was demonstrated.

Artifacts↗
PubMed2003

Packing helices in proteins by global optimization of a potential energy function.

An efficient method has been developed for packing alpha-helices in proteins. It treats alpha-helices as rigid bodies and uses a simplified Lennard-Jones potential with Miyazawa-Jernigan contact-energy parameters to describe the interactions between the alpha-helical elements in this coarse-grained system. Global conformational searches to generate packing arrangements rapidly are carried out with a Monte Carlo-with-minimization type of approach. The results for 42 proteins show that the approach reproduces native-like folds of alpha-helical proteins as low-energy local minima of this highly simplified potential function.

Protein Structure, Secondary↗
PubMed2002

Membrane-contaminant interaction found by 3D force field calculations.

Enthalpies of contaminant transfer from water to a 1,2-Dilauroyl-DL-phosphatidyl ethanolamine (DLPE) membrane were calculated in order to study the suitability of 3D force fields for the calculation of membrane-water partitioning constants (Kmw) and as potential descriptors for bio-concentration. A 3D DLPE membrane model was built in a MM+ force field using AM1 atomic charges. 3,5-Dichlorobiphenyl (PCB14), 4,4'-dichlorobiphenyl (PCB15), 1,1,1-trichloro-2,2-bis-(4-chlorophenyl)-ethane (PPDDT or p,p'-DDT) and 2-chloro-4-ethylamino-6-isopropylamino-s-triazine (atrazine) were inserted into apolar and polar sites and their interaction energies with the membrane were calculated by geometrical optimization (GO). Energies of hydratation were subtracted from membrane-contaminant interactions of selected sites. The resulting values for the enthalpies of transfer from water to the membrane were 4.7, -2.3, 11.5 and -9.2 kcal/mol for PCB14, PCB15, PPDDT and atrazine, respectively. In contrast to PCB15, the value of PCB14 compared favorably with the experimental values of similar membranes. PCB14, PCB15 and PPDDT had their lowest energies in the apolar sites of the membrane, whereas atrazine tended to accumulate in the polar membrane-bulk water boundary site. Potential advantages and limitations of the approach were discussed.

Adsorption↗
PubMed2002

Global optimization on an evolving energy landscape.

Locating the global minimum of a complex potential energy surface is facilitated by considering a homotopy, namely, a family of surfaces that interpolate continuously from an arbitrary initial potential to the system under consideration. Different strategies can be used to follow the evolving minima. It is possible to enhance the probability of locating the global minimum through a heuristic choice of interpolation schemes and parameters, and the continuously evolving potential landscape reduces the probability of trapping in local minima. In application to a model problem, finding the ground-state configuration and the energy of rare-gas (Lennard-Jones) atomic clusters, we demonstrate the utility and the efficacy of this method.

Journal Article↗
PubMed1991

Nutritional considerations for ultraendurance performance.

The nutritional considerations of the ultraendurance athlete center around proper caloric and nutrient intake during training as well as adequate energy and fluid replacement during competition to maintain optimal performance. Energy needs of ultraendurance athletes during training vary widely, depending upon duration, intensity, and type of exercise training. These athletes may train several hours daily, thus risking inadequate caloric intake that can lead to chronic fatigue, weight loss, and impaired physical performance. It is not known whether protein needs are increased in ultraendurance athletes as a result of extended exercise training. Additionally, micronutrient needs may be altered for these athletes while dietary intake is generally over the RDA because of high caloric intake. Prior to competition, ultraendurance athletes should consider glycogen supercompensation and a prerace meal eaten 4 hrs before as a means of improving performance. Carbohydrate feedings during prolonged exercise can significantly affect performance. During events lasting over several hours, sodium sweat losses and/or the consumption of sodium-free fluids may precipitate hyponatremia.

Dietary Carbohydrates↗
PubMed2001

Is a low fat diet the optimal way to cut energy intake over the long-term in overweight people?

Successful weight loss depends on maintaining a sustained negative energy balance. This can be achieved on diets with a normal (40% energy) fat content as well as on low fat diets. Using a 'modified fat' (MF) diet enriched with monounsaturated fat (MUFA), body weight may be lost either by calorie counting, or by allowing ad libitum food intake with careful food selection. In the latter approach high energy, high MUFA foods (predominantly olive oil, but also may include nuts and avocado) should contribute no more than 20% total energy to the diet, and other foods should be selected to minimise meal energy density. This can be achieved simply by the consumption of a wide variety of vegetables and whole grain cereal foods. It is also important to restrict foods high in saturated fat and to encourage regular exercise. Such a 'modified fat' low energy diet designed for weight loss should also contribute numerous health benefits in relation to improved metabolic control in Type 2 diabetes and reduced cardiovascular disease risk (as the diet is not only rich in MUFA but also in a range of dietary antioxidants and other bio-active phytochemicals).

Diet, Fat-Restricted↗
PubMedDate not supplied

[Global optimization of the conformational energy of oligopeptides using a tunnel algorithm].

The tunneling algorithm has been suggested as a method for the searching of the low energy conformations of the oligopeptides. The efficiency of the method has been compared with other global energy minimization methods such as grid search and molecular dynamics. It has been shown that tunneling algorithm reached global minimum of potential energy of the molecule of 3-4 residues more effectively than other methods. Experiments with oligopeptides of more than 4 residues showed that although during reasonable time tunneling algorithm does not reach the global minimum it can very effectively find the low energy minimum.

Algorithms↗
PubMed2005

Energy ranking of molecular crystals using density functional theory calculations and an empirical van der waals correction.

By combination of high level density functional theory (DFT) calculations with an empirical van der Waals correction, a hybrid method has been designed and parametrized that provides unprecedented accuracy for the structure optimization and the energy ranking of molecular crystals. All DFT calculations are carried out using the VASP program. The van der Waals correction is expressed as the sum over atom-atom pair potentials with each pair potential for two atoms A and B being the product of an asymptotic C(6,A,B)/r(6) term and a damping function d(A,B)(r). Empirical parameters are provided for the elements H, C, N, O, F, Cl, and S. Following Wu and Yang, the C(6) coefficients have been determined by least-squares fitting to molecular C(6) coefficients derived by Meath and co-workers from dipole oscillator strength distributions. The damping functions d(A,B)(r) guarantee the crossover from the asymptotic C(6,A,B)/r(6) behavior at large interatomic distances to a constant interaction energy at short distances. The careful parametrization of the damping functions is of crucial importance to obtain the correct balance between the DFT part of the lattice energy and the contribution from the empirical van der Waals correction. The damping functions have been adjusted to yield the best possible agreement between the unit cells of a set of experimental low temperature crystal structures and their counterparts obtained by lattice energy optimization using the hybrid method. On average, the experimental and the calculated unit cell lengths deviate by 1%. To assess the performance of the hybrid method with respect to the lattice energy ranking of molecular crystals, various crystal packings of ethane, ethylene, acetylene, methanol, acetic acid, and urea have been generated with Accelrys' Polymorph Predictor in a first step and optimized with the hybrid method in a second step. In five out of six cases, the experimentally observed low-temperature crystal structure corresponds to the most stable calculated structure.

Journal Article↗
PubMed1991

Insufficient dietary carbohydrate during training: does it impair athletic performance?

It is well established that adequate bodily carbohydrate reserves are required for optimal endurance. Based on this fact, it has been hypothesized that consumption of a diet with a high percentage of carbohydrate energy will optimize training adaptations and athletic performance. Scrutiny of the literature, however, does not strongly support the hypothesis that short-term or long-term reductions in dietary carbohydrate energy impairs training or athletic performance. Additional studies with well devised training protocols and performance tests are necessary to prove or disprove the hypothesis that a high carbohydrate energy diet is necessary to optimize training adaptations and performance. Because dietary carbohydrate contributes directly to bodily carbohydrate reserves, and because a high carbohydrate energy diet does not impair athletic performance, it remains prudent to advise athletes to consume a diet with a high carbohydrate energy content.

Diet↗
PubMed2002

The minimum energy hypothesis: a unified model of fixation resolution.

OBJECTIVE: To present a new theoretical construct, the Minimum Energy Hypothesis, which explains structural changes observed in the spine concomitant to spinal joint fixation resolution in initial investigations. DESIGN: Theoretical analysis. HYPOTHESIS: A unified theory of manipulative effectiveness is proposed that integrates the fixation and sensory tonus models of manipulation. The theory is based on the fact that the spine will assume a position of minimum internal energy when mechanical equilibrium is achieved. By using a simple mathematical model, it is shown that the fixation model and the sensory tonus models are 2 different aspects of the same theoretical construct. The Minimum Energy Hypothesis predicts that the spine will seek an optimal minimum energy configuration if the constraints preventing it from doing so are removed. Constraints are hypothesized to be joint fixations caused by inflammation in and about the spine and its sequella, muscle spasm, fibroadipose and scar tissue, and ultimately, degeneration. It is further hypothesized that the use of a computerized mechanical manipulative device may resolve such fixations, an example of which is radiographically demonstrable cervical hypolordosis. CONCLUSION: A unified theory of manipulative effectiveness based on the concept of minimum energy to attain mechanical equilibrium is brought forward to explain the results of initial investigations.

Biomechanical Phenomena↗