## Power Efficiency Guide

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#### Power Efficiency Guide Summary

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## Electromagnetic Waves

Where h is the Planck's constant (h 4.135667 X 10-15 eV). Electron volt (eV) is the change of potential energy experienced by an electron moving from a place where the potential has a value of V to a place where it has a value of V + 1 volt. The amount of energy a photon has makes it occasionally behave more like a wave and occasionally more like a particle. This is known as the wave-particle duality of light. Low-energy photons (such as radiofrequency radiation or RFR) behave more like waves, while higher-energy photons (such as x-rays) behave more like particles.

## Electron Capture Dissociation

ECD is a method used to fragment ions in FT MS MS by allowing them to capture low-energy electrons emitted by a heated dispenser cathode (31). Ions generated in the ESI ion source are injected into the FTMS analyzer cell, where they stay close to the center axis of the cell and oscillate rapidly back and forth between the two trapping plates. A low-energy (1-10 eV) electron beam with a narrow energy bandwidth (

## Conformation and Structure

From the above brief and succinct overview of the variations in 3D structure of the molecules and their representation, it may be clear that a molecule capable of having torsional rotation can have an infinite number of con-formers. For example, if one considers an assembly of four atoms A, B, C, and D. One can envisage different types of connectivity, such as A-B-C-D, A-B-D-C, B-A-D-C, and so on. For any one of these molecules, which are constitutional isomers of A-B-C-D, even if we assume constant bond angles ABC and BCD, one can generate an infinite number of structures changing the torsion angle ABC BCD. These structures are the different conformers of the molecule A-B-C-D. In spite of this infinite 3D structures possible for molecules, thankfully, since these structures differ in energies, the molecule exists in only a few (sometimes only in one) rapidly interchanging conformers. Thus, it is possible to predict the 3D structure of any molecule by studying the energy of the...

## Minor Cognitive Motor Disorder

This disorder has a clinical course and onset that can vary its diagnosis can be missed, and it does not necessarily progress to dementia. It is characterized by mild impairment in functioning, impaired attention or concentration, memory problems, low energy and or slowed movements, impaired coordination, and personality change, irritability, or emotional lability. The prevalence of MCMD has been estimated at 20 to 30 for asymptomatic clients and at 60 to 90 for late-stage clients (Goodkin et al., 1997) these

## Evolution of other Shape Descriptors

Distance geometry approach was developed by Ghosh and Crippen in the early 1980s.115 Low-energy conformations of the three-dimensional structures of the ligands were determined and upper and lower boundaries of the various ligand points (atoms groups) were characterized. The binding sites (empty occupied) were defined as well as different binding modes and then the site points were classified according to the nature and intensity of the interactions. The minimum number of site points was then determined and empirical parameters were calculated using least square procedures.116 Crippen ably demonstrated the utility of this approach in the QSAR of dihydrofolate reductase inhibitors.117

## Clinical Presentation and Pathophysiology

Blunt cardiac injury typically results from direct compression of the heart or decelerating forces delivered to the chest (25). Cardiac injury may occur even after relatively low-energy chest trauma without other obvious injuries (26,27). The pathologic correlates of such injury vary considerably and range from small areas of subepicardial or sub-endocardial hemorrhage to full thickness myocardial necrosis with or without cardiac rupture (28). The relationships between the less severe pathologic findings and the risk of significant clinical manifestations of blunt cardiac trauma (e.g., severe arrhythmias) are not well characterized. Rarely, epicardial coronary thrombosis may be induced by chest trauma and result in MI due to coronary ischemia (29,30). Clinical manifestations of nonpenetrating cardiac trauma include chest discomfort, dyspnea, hypotension, electrocardiographic (ECG) changes (primarily nonspecific ST and T-wave abnormalities), as well as arrhythmias including sinus...

## Myofascial Pain Syndrome

The localized, hypersensitive regions of muscle associated with trigger points are secondary, at least in part, to sensitization of the afferent peripheral nerve endings in the muscle by prostoglandins, bradykinin, histamine, substance P, and other nociceptive or algetic neurochemicals. Histologically and conceptually, there is evidence of an energy crisis found, which is identified by a decrease in high-energy phosphates and an associated increase in low-energy phosphates, as well as local hypoxia, secondary to local vascular and microvascular disturbances. The local, peripheral sensitization also is associated with a central, spinal cord sensitization in regions of the dorsal horn.

## Glucose Metabolism Changes in CACS

The utilisation of lactate and glycogenetic amino acids for the synthesis of glucose in the liver is a process associated with high energy consumption. Increased gluconeogenesis has been proposed as the main cause of increased energy expenditure of cancer patients. The increase of glucose turnover is strictly related to histotype, stage of disease and grade of cachexia. Several studies have analysed the relationship between glucose metabolism and changes of body weight. Patients without weight loss have a normal Cory cycle activity, whilst those with progressive weight loss have an increased Cory cycle activity associated with an increased lactate production. However, the compensatory increased gluconeoge-nesis is associated with reduced synthesis of insulin and insulin resistance. In fact, the most

## Nuclear Magnetic Resonance Spectroscopy

Nuclei with a net magnetic dipole such as 1H and 13C will orient the dipole axis in an external magnetic field in certain quantized orientations. The number of possible orientations is given by 2I + 1. If a nucleus with I 1 2 is placed in a uniform magnetic field, it may take up one of two orientations with respect to the field (the external magnetic field H defines the z-axis). Those may be considered as a low-energy orientation in which the nuclear magnet is aligned with the field (having quantum numbers ms +1 2), and those referred to as a high-energy orientation in which the magnet is aligned against the field (having quantum numbers ms -1 2). The transition between these two energy states can be brought about by the absorption of suitable electromagnetic radiation of energy.

## Two to threedimensional conversion of structures

Although in principle one could generate the 3D coordinates by any molecular modeling method, 3D database searching of a large variety of molecules was not practical until CONCORD, the first practical 3D structure generation program, was invented in 1988. CONCORD converts a structure diagram as stored into a chemical information database such as MACCS ISIS,138 or the SMILES,139,140 or SLN141 of a molecule to a 3D structure by a combination of templates, rules, and a novel energy minimization algorithm. Shortly thereafter, CORINA, a program with similar capabilities, was produced.142 These programs have been widely used to convert corporate databases of in-house structures for 3D searching.143 Currently it takes less than approximately 1 s to produce a 3D structure. A comparison of these programs, and some others that are no longer available, supports their utility, but also underscores the necessity to allow for conformational flexibility.144,145 More recent enhancements of these...

## Multiple conformations

One method to consider conformational flexibility is to populate the database with all reasonable conformations of each database molecule. Generally, fewer hits were found in searches over databases built with only a CONCORD conformation than with the corresponding database built with the same molecules but including multiple low-energy conformations.147 Clearly, the method of generating the multiple conformations is an important issue to be considered. For optimum efficiency, the ensemble of conformations should meet two criteria no conformation duplicates another and no conformation is high energy. One approach to producing a diverse ensemble of low-energy conformations is to generate conformations by molecular dynamics or Monte Carlo methods, but, once a particular conformation has been identified, it is associated with an artificially high-energy barrier.148,149 This barrier prevents the algorithm from revisiting this region of conformational space. The conformations for a...

## Sources of Constraints for Three Dimensional Searching

At the early phases of pharmacophore identification, one might use a 3D database search to discover compounds that mimic one or another of the low-energy conformations of a compound of interest. If no exact compounds are found, one can search for templates that hold the presumed pharmacophoric groups in the appropriate orientation.

## Unresolved Challenges

An important computational issue is how high in energy a bioactive conformation can be. Although this problem has been addressed in Section 4.06.2.4, it is not clear that the conformational energies calculated away from low-energy structures are accurate There is little experimental data on which to calibrate a function that calculates energy away from the minimum because most observations of structures are made on minimum energy conformations. An additional problem is that each conformational program is parameterized differently with the result that the calculated energy of a conformation away from a minimum may differ substantially between programs. Beyond this, the calculated energy differences may depend on the structure of the compound being compared. Further complicating the analysis is the fact that many such programs calculate the energy of a structure in vacuum, with the result that internal hydrogen bonds or hydrophobic interactions may be favored in a way that is not...

## Conclusion Lipophilicity in Absorption Distribution Metabolism Excretion and Toxicity Studies

Ionized species play important roles in nature - in protein folding, in binding, in signal transduction, in metabolism to highly ionized species, in enzyme and receptor site specificity, and in the evolution of low-energy, lipid-soluble forms of ion pairs. Researchers in this area are in a position to advance science beyond the confines of ADMET.

## Biological And Health Effects

EM fields and radiation can be envisaged as discrete quanta that are absorbed by matter. The amount of energy associated with a quantum is then decisive for the type of change that takes place initially. The quantum energies of EM waves are too low to break chemical bonds. However, there are structures in biological materials that may be affected by very low energy, e.g., hydrogen bonded structures in which very low energy may cause displacement of protons.

## Amide Relevant Conformations in Proteins

By use of site-directed mutagenesis in positions covering cis prolyl bonds, the proline has been replaced by nonproline amino acids. It came as a surprise that the secondary amide peptide bond formed in the substitution still adopts the ther-modynamically disfavored cis conformation in many cases 25,26,132-135 . Thus, to overcome the free energy costs of a cis secondary amide peptide bond of about 15 kJ mol-1 the structural consequences favoring the trans conformation must be absent in the folded protein variant. Consequently, the CTI is largely retained in these protein variants 133 .

## Practical Implementation of Nutritional Support

Depending on the underlying cause of energy imbalance (decreased dietary intake or increased nutritional requirements), initial nutritional therapy may range from adaptations of the dietary behaviour and food pattern to implementation of nutritional supplements. Nutritional support should be given as energy-dense supplements well-divided during the day to avoid loss of appetite and adverse metabolic and ventilatory effects resulting from a high caloric load. When feasible, patients should be encouraged to follow an exercise program. For severely disabled cachectic patients unable to perform exercise training, even simple strength manoeuvres combined with ADL training and energy conservation techniques may be effective. Exercise not only improves the effectiveness of nutritional therapy, but also stimulates appetite. After 4-8 weeks, the response to therapy can be determined. If weight gain and functional improvement are noted, the caregiver and the patient have to decide whether...

## Hypermetabolism and Protein Catabolism

Depending on the type of cachexia, the body's protein compartment undergoes several modifications, which are, in some cases, not related to fat changes 22 . New insights regarding muscle atrophy occurring in aging, AIDS, diabetes, immobility, and space flight have been gained in the last few years. For example, it is now known that ubiquitin ligases are involved in the breakdown of muscle proteins 76 . An acute calorie defect, e.g. a total 24-h fast, forces the organism to use energy reserves, so that approximately 150 g of fat and 60 g of protein are burned. Subsequently, energy-saving mechanisms become involved. These reduce protein breakdown by as much as threefold, whereas the energy withdrawal from adipose tissue remains unchanged 34 . Basal metabolism accounts for about a fifth of the calories normally consumed at rest. In contrast, serious infection induces acute protein loss (which may be 120 g day) 32 . During the septic period, starvation does not activate the energy-saving...

## Glycogen Can Provide Glucose for Glycolysis

The polysaccharide glycogen (page 30) is used as a store of glucose particularly in liver and muscle cells. We saw in Chapter 2 how the glycosidic bond can be hydrolyzed with the broken ends of the bond being sealed with groups from a water molecule, so that a hydrogen atom is added to one side of the broken bond and a hydroxyl group is added to the other (page 44). The enzyme glycogen phosphorylase specifically breaks the a(1 4) glycosidic bond in glycogen but seals the broken ends with groups from inorganic phosphate, so that a hydrogen atom is added to one side of the broken bond and a phosphate group is added to the freed glucose monomer (Fig. 13.5). The resulting glucose-1-phosphate is readily converted to glucose-6-phosphate for glycolysis. Breaking up glycogen this way is more energy efficient than simply hydrolyzing it (as happens in the intestine) since the ATP that would otherwise be required to make glucose-6-phosphate from free glucose is saved. The occasional a(1 6) links...

## Properties And Occurrence In The Environment

The relative ease of dissociation of the -N-NO bond is probably one of the most significant physical properties of the A -nitroso derivatives. The release of the nitric oxide group from the Af-nitrosamines is accomplished with relatively low energy requirements. Hence, the exposure of gaseous A -nitroso compounds to high temperatures, between 400 C and 500 C, can be a selective method for the removal of nitric oxide without causing other major rearrangements or dissociations in the rest of the molecule. This physical property of the A -nitrosamines has allowed the development of the thermal energy analyzer (TEA), a highly selective detector for A -nitrosamines.

## Docking Programs Quick Explore QXP

QXP (Quick Explore17) is part of the Flo + program. It contains two conceptually different docking algorithms MCDock and ZipDock. The MCDock algorithm is evolutionary in nature and similar to the conformational space annealing method proposed by Lee and Scheraga.31 For each ligand it applies a user-defined number of repeated cycles of Monte Carlo followed by energy minimization to generate and refine an ensemble of low-energy ligand poses. By adding dissimilar, low-energy poses to the ensemble and by reducing the numbers and sizes of the perturbations as the number of cycles increases, the MCDock procedure is very efficient in finding low-energy solutions. The ensemble is initialized with a single pose and is allowed to grow to 50 poses. For each search cycle a ligand pose is randomly chosen from the ensemble, and subjected to 400 steps of fast Monte Carlo exploration using precalculated potential grids. In each search cycle the best result from the fast exploration is...

Second, the final ligand structure is unknown during the construction stage and therefore it is unknown beforehand whether it would be close to the lowest energy conformation of the ligand it may turn out' when considering ideal fragment placements, to be impossible to build a low-energy, or even properly linked, ligand. In this strategy the ligand structure is kept connected from the beginning to the end of construction and thus avoids the issue of fragment linking. This strategy also allows the application of empirical rules during the building process to some extent it ensures that the final structure is in a low-energy state.

## Cardiovascular Diseases

Savitz et al. 53 investigated risk of cardiovascular disease in a cohort of 139,000 male utility workers. Exposure was assessed according to the duration of employment in occupations with exposure to magnetic fields. Overall mortalities due to cardiovascular disease were low. Sahl et al. 70 found that men working longer in high-exposure occupations or working as electricians, linemen, or power plant operators had no increased risk of dying from either acute myocardial infarction (AMI) or chronic coronary heart disease (CCHD) compared with men who never worked in high-exposure occupations. Their study was based on cohort of 35,391 male workers at the Southern California Edison Company between 1960 and 1992. In addition, another study of electrical utility workers 71 found no evidence that exposure to power-frequency fields was associated with heart disease.

## Human drug metabolism database

Structures are initially considered as closed-shell molecules in their electronic and vibrational ground states with protonated and unprotonated forms, as appropriate, also being entered. If a structure possesses tautomeric options or if there is evidence for the involvement of internal hydrogen bonding, then the tautomeric forms and the hydrogen-bonded forms are additionally considered from the onset. Determination of 3D structure is carried out in two steps. Preliminary geometry optimization is affected by using a molecular mechanics method. For example, in this case the gas-phase structure is determined by applying the MacroModel 6.5 modeling package running on a Silicon Graphics Indigo 2 workstation with modified (and extended) AMBER parameters also being applied from this package. Multiconformational assessment using systematic rotations about several predefined chemical bonds with selected rotational angles is then conducted to define the low-energy conformers and...

## Neurodegenerative Diseases

Electricians faced twice the expected risk of suicide. Linemen faced 1.5 times the expected risk. Meanwhile, suicides among power plant operators occurred at a rate slightly lower than expected. Baris et al. 73 found no association between the suicide and exposure to EMF.

## Male and female energetic constraints

Although males are larger than females (so we would expect them to have greater daily energetic costs), female primates suffer the extra energy costs of internal fertilisation, pregnancy, extended lactation and prolonged dependency of young (Sadleir, 1969 Portman, 1970 Pond, 1977). These extra costs often mean that a female must feed for longer than an even larger male (relative to just how much larger that male is). For example, lactating female gelada baboons are found to spend up to 30 more time feeding per day than non-lactating females (Dunbar, 1992). Alternatively, females may select a different high-quality diet that requires extra searching and processing times (Pollock, 1977 Post, Hausfater and McCuskey, 1980 Harrison, 1983 Clutton-Brock, Albon and Guinness, 1984).

## Figure 2 Proposed solution conformations of gabapentin

Compounds, the 2-aza-spiro45decane-4-carboxylic acid (25) was the most potent ligand that displayed similar activity to gabapentin in the reversal of carrageen-induced thermal hyperalgesia. The enantiomers 25 and 26 were overlaid with low-energy conformations of gabapentin determined through geometry optimization. Six low-energy conformations of gabapentin were obtained, and both enantiomers overlaid quite well with two of these. However, only the (R)-isomer (25) displayed potent affinity for the a2-S protein and therefore this work pointed to a preferred binding conformation of gabapentin at the a2-S-binding site.

## Considerations In Radiation Catheter Design

Solid crystal scintillators have sufficient density to have a high probability of interaction between the gamma ray or X-ray and the crystalline structure of the detector. If the detector can be brought close to the source of radiation, however, it may be preferable to detect beta radiation (or very low energy conversion electrons) than gamma radiation. A major advantage of this approach is the elimination of the need for shielding and collimation because of the very short range of charged particles (

## Consequences of Altered Glucose Metabolism Oxidative Stress

50, 53, 54 we have demonstrated that patients with cancer at advanced stage showed a condition of oxidative stress characterised by high blood levels of ROS and reduced erythrocyte GSH per-oxidase and SOD activity. Antioxidant activity was significantly reduced in patients with the most advanced stage (IV) and compromised performance status (EGOG PS 2-3). Moreover, oxidative stress was associated with high levels of proin-flammatory cytokines IL-6 and TNF-a, and CRP, and low levels of leptin 51 . The inverse correlation between leptin levels and the parameters of oxidative stress (ROS) strongly suggests that lep-tin is a signal of negative energy balance and low energy reserves and that oxidative stress is a consequence of the metabolic derangements, particularly of glucose metabolism.

## What are the Dietary Protein Requirements of Cancer Patients

If one were to accept the arguments presented by Millward and Jackson, then a healthy 60- to 70-year-old man or woman weighing 70 kg with a low physical activity level of 1.5 times the basal metabolism value would require a dietary P E ratio of at least 0.12 to maintain N balance. This might be considered to be a minimum amount, for the following reasons. The calculations by Millward are based on the assumption of energy balance, and do not take into account that at low energy intakes amino acids are diverted to energy-yielding reactions. The average energy intakes of advanced pancreatic cancer patients are in the vicinity of determined basal metabolic rate (22-25 kcal kg body weight per day) and thus a significant fraction of individuals are not taking in enough energy even to match basal metabolism requirements 16, 27 . Also, the definition used by Millward and Jackson for calculation of the P E ratio of sedentary persons is a physical activity level of 1.5 times basal metabolism...

## Opportunities For Improving Performance Image Formation

Image formation in SPECT is usually based on multi-bore collimators or pinholes. The latter are particularly advantageous for small-animal studies since they can be placed close to the subject and therefore subtend a relatively large solid angle for a given spatial resolution. Moreover, many pinholes can be used, increasing the total solid angle still further (6). Another feature of small-animal imaging is that low-energy isotopes can be used with negligible self-absorption within the body. This opens up the possibility of using glancing angle reflective or diffractive focusing optics which do not work at higher energies.

## Energy Values from the Food Composition Tables

On the basis of the values reported in the Food Composition Tables, foods can be grouped into four main classes (1) energy-dense foods, (2) high-energy foods, (3) moderate-energy foods, (4) low-energy foods. The first category comprises foods with energy values between 900 and 500 Kcal 100 g of edible part the second category consists of foods with energy values between 500 and 300 Kcal 100 g in the third category are foods with energy values between 300 and 100 Kcal 100 g and in the fourth category are foods with energy values from 80 to 10 Kcal 100 g.

Both SPECT and PET imaging can provide quantitative information about the biodistribution and kinetics of a radiotracer. The accuracy of SPECT imaging is fundamentally limited by the attenuation of the low energy photons by body tissues. This introduces an error in relating the density of detected photons to the concentration of the radiopharmaceutical in an organ. Moreover, the presence of scattered radiation limits spatial resolution. The absolute quantification of SPECT and PET images is also limited by partial volume errors. While PET imaging can overcome some of the attenuation problems compared with SPECT, the PET approach is a more expensive technique. The introduction of hybrid systems (SPECT CT and PET CT) for imaging has greatly enhanced the performance and accuracy of nuclear imaging. The CT component

## Diagnosis ofBlunt Cardiac Trauma

Concentrations of both cTnI and cTnT have been shown to be increased in trauma patients, especially following cardiac contusion (13-16). Blunt cardiac injury typically results from direct compression of the heart or decelerating forces delivered to the chest. Such cardiac injury may occur even after relatively low-energy trauma without other obvious injuries. In the large majority of patients with blunt chest trauma studied, small to moderate increases in cardiac troponin were found, implying that the extent of injury is small (14,15). The results of testing for cardiac troponin were able to differentiate the majority of patients with isolated increased creatine kinase-MB (CK-MB) values related to skeletal muscle damage from those with myocardial injury. In one representative study of 44 patients with blunt chest trauma, 37 trauma patients without cardiac contusion had increases in CK-MB without a rise in cTnI (15). In the six patients with evidence of cardiac injury by...

## Processing and packaging

The drink is generally heated by hot water in a plate or tubular (spiral) heat exchanger to the desired pasteurisation temperature and held at that temperature for the specified time in a holding tube before being cooled to the filling temperature (usually ambient) using chilled water. Normally, flash pasteurisers have a regenerative section (see Figure 8.1) this is an energy-saving feature whereby the incoming raw product is initially heated by the hot product returning from the holding coil, which in turn is cooled. The energy used for heating is regenerated. To prevent reinfection the equipment must be sterilisable using culinary steam or hot water and be impervious to microbiological spores (i.e. there should be no risk of contamination from unpasteurised product or product trapped in 'dead legs' or equipment that is not bacteria tight, e.g. valves and pumps). In some countries regulations require that pasteurised product is always at a higher pressure than the raw product or...

## Electron Transport Chain

This reaction releases energy, 206 kJ for every mole of NADH used. The energy is used to carry about 12H+ ions from their low-energy state in the mitochondrial matrix to their high-energy state in the cytosol. Figure 12.5 summarizes the reaction in terms of energy currencies. The circle symbolizes the linkage between the energy released in the conversion of NADH to NAD+ and the energy used to drive H+ out of the mitochondrial matrix. If the electron transport chain simply allowed NADH to reduce oxygen to water, then the reaction's energy would be released as heat. Instead, the enzymatic function of the electron transport chain is tightly coupled to its function as a carrier that moves H+ ions. The energy of NADH is thus converted to the energy of the H+ gradient.

## Dynamic Protein Structures

It is easy to get the impression that protein structures are fixed and immobile. In fact proteins are always flexing and changing their structure slightly around their lowest energy state. A good term for this is breathing. Many proteins have two low-energy states in which they spend most of their time, like a sleeper who, though twisting and turning throughout the night, nevertheless spends most time lying on their back or side. An example is the glucose carrier (Fig. 11.1). This is a transmembrane protein that forms a tube through the membrane. It is stable in one of two configurations. In one the tube is open to the cytosol in the other the tube is open to the extracellular medium. By switching between the two states, the glucose carrier carries glucose into and out of the cell.

## Ligand Based Methods for Focused Libraries

A theoretical model was constructed for aVb3 integrin and successfully used to guide the design of a subsequent chemical library of peptidomimetic carbohydrates.177 The model was built from three known, highly selective antagonists. They were first subjected to simulated annealing and the resulting low-energy conformers were grouped into families. Next, family representatives were used for molecular dynamics studies to explore the accessible energetic hypersurface. Existing conformers were superimposed to form the model. The pharmacophore model led to the choice of xylose as the core for the peptidomimetic library. The subsequent 126-compound library was screened as sets of mixtures and, after deconvolution, provided a 4 mM inhibitor. The result highlights the effectiveness of this approach in that even large molecules, such as peptides, can be replaced by smaller compounds through an understanding of the key interactions at the receptor.

## Leptin and Immune Function

Levels of this adipocyte-derived hormone are proportional to fat mass, but may be lowered rapidly by fasting. Impaired cell-mediated immunity and reduced levels of leptin are both features of low body weight in humans. There is enough reported evidence to suggest a role for leptin in linking nutritional status to cognate cellular immune function, and to provide a molecular mechanism to account for the immune dysfunction observed in starvation 44 . The decrease in leptin plasma concentrations during food deprivation leads to impaired immune function, whereas the restoration of leptin to normal levels by feeding after starvation is sufficient to ameliorate the immune response and is followed by a significant increase in Th1 activity, supporting further the role of lep-tin as a nutritional sensor for the immune functions 45 . Therefore, leptin is the signal that connects the energy stores with the immune system, and may play a role in the immunosuppression of starvation. Leptin seems to...

## Three Dimensional Database Searching

Any database of 3D structures can also be used to search for templates that hold functional groups at predetermined distances and angles, thus suggesting conformationally constrained analogs. The program CAVEAT was designed for just this purpose.116,117 Such a search could be used to design analogs that would distinguish between competing pharmacophore hypotheses, compounds that are selective for one biological activity versus another, or are more potent because conformational restriction decreases the conformational entropy loss on binding. The input structure could also be low energy or the bound conformation of a ligand.

## Vegetarian Diets

For thousands of years humans were hunters and gatherers who consumed mainly fruits, leaves, roots, and seeds, supplemented occasionally with meat when it was available. Plant foods have a low energy density-they contain few calories for their bulk-so to obtain 2500kcals day eating only fruits, leaves, and roots, around 7-8 kg of these foods would need to be eaten each day. Therefore, consumption of some meat, which is a concentrated form of energy, minerals, and protein, had obvious advantages.

## Tissue Metabolism

In contrast to uncomplicated starvation, where the energy expenditure is decreased as compensation, an elevated metabolic rate was recognised. Several symptoms such as tachycardia, hyperp-noea, sweating and a rise in body temperature indicated an increase of the metabolic rate that was in sharp contrast to the reduced energy supply in these patients 25 . In 1916, the increase in the basal metabolic rate was directly documented 26, 27 . Increased metabolic demands of several specific tissues were discussed as one underlying reason for this finding. Decreased efficiency of the respiratory system due to reduced compliance 28 and capacity of the lungs, together with hyperventilation, result in higher energy demands of the respiratory muscles 29 . In the case of patients with congestive heart failure it was also suggested that the hypertrophic myocardium may contribute to the hypermetabolism in chronic heart failure 30, 31 . The combination of an increase in total energy consumption of the...

## Unknown Receptor

In 1985, ACE was an object of intense interest in the pharmaceutical industry, as captopril and enalapril, the first two approved drugs inhibiting ACE, were being extensively used to treat hypertension. Thus, each pharmaceutical company was contending to design novel chemical structures that inhibited ACE and minimized side effects to gain a piece of the market. Inhibitors of ACE served as a test bed for the Active-Site Mapping where one tries to deduce the receptor-bound conformation of a series of active analogs based on the assumption of a common binding site. Analysis of the minimum energy conformations of eight ACE inhibitors had revealed a common low-energy conformation of the Ala-Pro segment.297 By including additional geometrical parameters, the carboxyl group of enalopril could include the zinc atom with optimal geometry from crystal structures of zinc-carboxyl complexes. Similarly, the sulfhydryl group of captopril could be expanded to include the zinc site as well with...

## Scaffold Development

Protein engineering involves designing novel three-dimensional protein scaffolds onto which amino acid side chains can be introduced to obtain functionality for molecular recognition and catalysis. Applications could include therapeutics, biomaterials, biosensors, industrial catalysts, nano materials, etc.114-118 Despite the exciting applications, protein engineering is difficult, due to the inability to predict the three-dimensional protein structure from amino acid sequence alone. Within the conformational space a protein fold can adopt, there are often small energy differences between several different low-energy protein folds. Many low-energy alternative folds can bury hydrophobic surface in a compact structure and satisfy most internal hydrogen-bonding groups. An accurate scoring potential and adequate sampling of configurational space for each candidate fold is needed to approximate the entropy of the hydrated system and to help distinguish between alternative folds. When there...

## Sleep traits

Theories about the function of mammalian sleep tend to focus on the immobilisation or adaptive non-responding of individuals in a sleeping state. For example, restorative theory suggests that sleep, and in particular paradoxical sleep, relieves a deficit in body tissues (Berger, 1975, 1984), brain tissues (Jouvet, 1975 Horne, 1983) or psychological systems (Crick and Mitchison, 1983), associated with a wakeful state. Immobilisation theory suggests that sleep and endothermy are linked and that the primary function of sleep is energy conservation (Zepelin and Rechtschaffen, 1974 Berger, 1975, 1984 Zepelin, 1994 Berger and Phillips, 1995). Adaptive non-responding theory considers sleep to be a social and behavioural mechanism that promotes survival by ensuring temporal integration of a species in its ecological niche, preventing activity at times when it would be wasteful of energy or risk predation (Bert and Pegram, 1969 Allison and Van Twyver, 1970, 1972 Bert, Pegram and Balzamo, 1972...

P-CFT also has been labeled with fluorine-18 (18F), which has a radioactive half-life of 109.8 min and relatively low-energy positrons those features allow for longer imaging times and higher-resolution images than with 11C (50). 18F-P-CFT reaches peak striatal binding at approx 225 min. Therefore, although it capably images DAT (50) and monitors the progress of PD (51,52), the relationship between its striatal localization and isotope half-life is less-than-ideal.

## Dysthymic Disorder

Dysthymic disorder in adults as described in DSM-IV-TR is a chronic depression of mood (for at least 2 years) that is variably accompanied by associated symptoms of appetite disturbance, sleep disturbance, low energy or fatigue, low self-esteem, poor concentration or difficulty making decisions, and feelings of hopelessness. It occurs in about 1.8 of elderly individuals during any given month. Dysthymic disorder is similar to but less severe and more chronic than major depression and has a somewhat earlier onset in elderly individuals. The average age of onset of dysthymic disorder in 68 subjects over age 55 was 31, while the average age of onset of major depression in 61 subjects over age 55 was 53 (Beekman et al. 2004). Dysthymic disorder may be preceded by an Axis I (nonmood) or Axis III disorder ( secondary dys-thymia ), may occur as an isolated syndrome ( primary dysthymia ), or may present as double depression (i.e., with major depressive disorder superimposed on dysthymic...

## Mitomycin C

The International Atomic Energy Agency is completing a large, randomized trial of the role of mitomycin in head and neck malignancies. Yale university continues to evaluated the possible superiority of porfiromycin (methyl mitomycin) in comparison to mitomycin in a randomized trial of greater than 120 HNC patients. Final results have yet to be published.

## Leptin

Ments (on cultured adipocytes) provides a strong support to our hypothesis that in advanced cancer patients, and especially those with CACS, low lep-tin levels function as a signal of negative energy balance and low energy reserves 47 consequent to the reduced intake and the impaired utilisation of energy substrates, particularly glucose.

## Chemometric methods

A principal component analysis67 of the distances between five proposed pharmacophore points in all low-energy conformers of active HMG-CoA reductase inhibitors revealed that only three of these distances was necessary to explain 85.5 of the variance of the 10 distances.68 Subsequent cluster analysis of the conformers using these three distances produced one cluster of conformations that includes four of the five active compounds and only two of the six inactive compounds. The conformations and distances that correspond to this cluster were selected as the bioactive conformation and pharmacophore distances, respectively. The lack of activity of the two inactive compounds that have the pharmacophore distances are explained by differences in electrostatic potential.

## Weight Loss

Studies in the medical literature have provided conflicting results with regard to the effect of weight loss on bone density, although the majority report small losses in BMC or reduced bone density. Fogelholm et al. (107) followed 74 premenopausal women during a 12-month weight reduction program that consisted of 3 months of a very low energy diet and a 9-month walking program followed by 24 months of follow-up. Bone density was measured by DXA (Norland XR-26) at the PA lumbar spine, proximal femur, and distal radius. The average age of these women was 40 years. The mean body mass index (BMI) was 34.0 kg m2 and the mean weight was 92 kg (202.8 lb). During the first 3 months, the average weight loss was 13.2 kg (29.1 lb). The subjects lost more fat than fat-free mass and more abdominal than peripheral fat based on body composition studies. During this same time, although femoral neck BMD did not change, PA lumbar spine, trochanter, and distal radial BMD declined a small but...

## Ultraviolet

Ultraviolet radiation is a low-energy emission and does not penetrate deeply. Hence the skin absorbs most of the radiation and is the primary carcinogenic target. Because nonmelanomatous skin cancer is the most easily detectable and curable human cancer, the fact that it is also the most clearly identifiable is often overlooked. The fear of skin cancer, however, is apparently not sufficient to prevent people from overexposing themselves to this carcinogenic agent.

## Fusion

Membrane fusion is the process by which a vesicle membrane incorporates its components into the target membrane and releases its cargo into the lumen of the organelle or, in the case of secretion, into the extracellular medium. Different steps in membrane fusion are distinguished. First, the vesicle and the target membrane mutually identify each other. Then, proteins from both membranes interact with one another to form stable complexes and bring the two membranes into close apposition, resulting in the docking of the vesicle to the target membrane. Finally, considerable energy needs to be supplied to force the membranes to fuse, since the low-energy organization in which the hydrophobic tails of the phospholipids are kept away from water while the hydrophilic head groups are in an aqueous medium must be disrupted, even if only briefly, as the vesicle and target membranes distort and then fuse.

## Genetic Material

Resulting effects of EM exposure, which have been reported in scientific literature, include DNA breaks and chromosome aberrations. The very low energy level in the ELF range is sufficient to trigger gene expression. This suggests that EM interaction with DNA can stimulate chain separation, at least in the segment of the chain needed to start the process. Destabilization of H-bonds when electrons oscillate in the EM field is consistent with the low electron affinity of nCTCTn bases in the EMREs needed for interaction with DNA. The force (in newtons) on an electron is

## Hydrogen Bonding

Another possible way to obtain hydrogen bond activities is to investigate the thermodynamics of hydrogen complex formation. Raevsky eta 93 collected a thermodynamic, hydrogen bonding database of several thousand reactions and used these data to statistically determine Ca (proton acceptor free energy factor) and Cd (proton donor free energy factor) values that fitted the AH (change in enthalpy) and AG (change in free energy) values measured. Both Ca and Cd were found to correlate well with Abraham's hydrogen bonding scales and can be calculated for new compounds.93 The data set mentioned above45 was also studied by Van de Waterbeemd eta .,19 who suggested that the calculated polar surface area (PSA) might be a more easily accessible descriptor of hydrogen bonding ability. Since then, various different definitions for polar surface area have been used.19'20'98 The value for PSA will differ depending on what type of surface is calculated (e.g., Van der Waals surface, solvent-accessible...

## Production by SLM

Figure 7.8 shows some results of the parameter study for titanium material (Ti-6Al-4V). Laser power (95W) and layer thickness (30 mm) were kept constant and scan speed and hatch spacing were varied. The energy density, the measured part density and one micrograph are shown for each tested parameter set. It is clear that higher energy density leads to higher part density. For low energy input, successive scan tracks are not fully molten and large pores appear along the scan lines. For titanium as well as for cobalt-chromium alloys, part densities up to 99.9 and even higher are reached. Because of physical properties of the material the SLM process is easier to control for cobalt-chromium and high part density is reached with higher build rate (4 cm3 h vs 2 cm3 h for titanium).

## Swedish Standards

Sweden has been a leader in developing recommended visual ergonomic and EM emission standards for computer displays. Two prominent measurement and emission guidelines for monitors have emerged during the past few years. One, known as MPR-II, prescribes limits on EMF emissions in the ELF and VLF ranges, as well as electrostatic fields. Many major manufacturers of computer displays have embraced the Swedish guidelines. Nevertheless, the Swedish Confederation of Professional Employees (TCO), which represents over a million workers, requested more restrictive limits and test protocols. TCO published its own series of guidelines TCO'90, TCO'92, TCO'95, and TCO'99, which in reality are a copy of MPR-II with some adjustments 15 . In addition, recent TCO guidelines include guidelines for energy consumption, screen flicker, luminance, and keyboard use.

## Energy Intake

Energy balance in 100 lung cancer patients, decreased intake was found in weight-losing patients with acute-phase response 7, 8 . Levine and Morgan studied food selection in 10 hospitalised cancer patients with weight loss and anorexia 9 . They found low energy intake (24 Kcal kg d), but the patients had maintained normal macronutrient composition despite cancer anorexia compared with hospitalised control subjects.

## Energy Expenditure

Own longitudinal observations, about half of the patients had elevated REE, defined as 110 or more of predicted REE 2 . Increased energy expenditure in cancer patients are significantly related to systemic inflammation, in which anaemia may attenuate the effectiveness of oxygen transportation and thereby increase the energy cost for circulatory homeostasis. However, anaemia may also correlate with increased energy consumption as a component of the acute-phase response, evident by an increased erythrocyte sedimentation rate or increased C-reactive protein levels 14 . In this context, it is noteworthy that pain does not seem to be a universal explanation to cancer cachexia in patients with solid gastrointestinal malignancy 21 (Fig. 5). Thus, it was possible to attenuate the increased REE in cancer patients by p-blockade to slow down hyperactive cardiovascular activity mediated in part by increased noradrenergic and adrenergic activity in combination with elevated production of...

## Sgllddfklt

However, the latter alignment is probably more realistic 100 , indicating that a 5 amino acid loop in the first sequence and structure is to be replaced with a 3 amino acid loop in the second sequence. The customary practice is to remove the whole segment between two conserved secondary structures units. Even with this practice, ambiguity remains, since the ends of secondary structures, especially a-helices, are not well determined. If loop building methods were accurate, then removing more of the segment would be a good idea. But long loops (longer than 6 amino acids) are difficult to rebuild accurately, and hence there is cause to preserve as much of the starting structure as possible. Once the backbone has been borrowed from the template in stepwise modeling, one has to decide the order of building the core side chains, the backbone of loops to be built, and their side chains. They may be built sequentially, or allowed to vary simultaneously. Side chains from the core may guide the...

## Frank P Kozusko

During hypophagia (under eating) loss of body weight is expected. The dynamics of the weight change involve complicated biochemical processes that produce changes in our daily energy needs, the amounts of fat and nonfat tissue stored in the body and the energy efficiency at which we function. If we consume fewer calories than are required for our daily activities, the body is forced to use the energy stored in the fat and nonfat tissues with resultant weight loss. Most of the energy will be supplied by the high energy density fat mass while a smaller quantity will be supplied by consumption of low energy density nonfat body mass. Since it is nonfat that is metabol-ically active, loss of nonfat reduces the daily required energy, reducing the energy deficit. Chemical changes in the body sense the loss of fat, causing the appetite to increase. The body becomes more efficient at performing its metabolic and physical activities which will further reduce the rate of weight loss. Eventually...

## Definitions

Nonionizing radiation Long wavelength, low frequency, low energy form. Examples ultraviolet rays, visible rays, infrared rays, radio waves, microwaves, lasers, ultrasound, NMR systems. Ionizing radiation Short wavelength, high frequency, high energy forms. Emitted from unstable forms of elements called radioisotopes. Examples x-rays and gamma rays. Half-life Period of time it takes for a radioisotope to lose half of its radioactivity.