Multi-Agent Systems Applied in the Modeling and Simulation of Biological Problems: A Case Study in Protein Folding

Multi-agent system approach has proven to be an effective and appropriate abstraction level to construct whole models of a diversity of biological problems, integrating aspects which can be found both in "micro" and "macro" approaches when modeling this type of phenomena. Taking into account these considerations, this paper presents the important computational characteristics to be gathered into a novel bioinformatics framework built upon a multiagent architecture. The version of the tool presented herein allows studying and exploring complex problems belonging principally to structural biology, such as protein folding. The bioinformatics framework is used as a virtual laboratory to explore a minimalist model of protein folding as a test case. In order to show the laboratory concept of the platform as well as its flexibility and adaptability, we studied the folding of two particular sequences, one of 45-mer and another of 64-mer, both described by an HP model (only hydrophobic and polar residues) and coarse grained 2D-square lattice. According to the discussion section of this piece of work, these two sequences were chosen as breaking points towards the platform, in order to determine the tools to be created or improved in such a way to overcome the needs of a particular computation and analysis of a given tough sequence. The backwards philosophy herein is that the continuous studying of sequences provides itself important points to be added into the platform, to any time improve its efficiency, as is demonstrated herein.

Effects of Microwave Heating on Biogas Production, Chemical Oxygen Demand and Volatile Solids Solubilization of Food Residues

This paper presents the results of the preliminary investigation of microwave (MW) irradiation pretreatments on the anaerobic digestion of food residues using biochemical methane potential (BMP) assays. Low solids systems with a total solids (TS) content ranging from 5.0-10.0% were analyzed. The inoculum to bulk mass of substrates to water ratio was 1:2:2 (mass basis). The experimental conditions for pretreatments were as follows: a control (no MW irradiation), two runs with MW irradiation for 15 and 30 minutes at 320 W, and another two runs with MW irradiation at 528 W for 30 and 60 minutes. The cumulative biogas production were 6.3 L and 8.7 L for 15min/320 W and 30min/320 W MW irradiation conditions, respectively, and 10.5 L and 11.4 L biogas for 30min/528 W and 60min/528 W, respectively, as compared to the control giving 5.8 L biogas. Both an increase in exposure time of irradiation and power of MW had increased the rate and yield of biogas. Singlefactor ANOVA tests (p

Extractability of Heavy Metals in Green Liquor Dregs using Artificial Sweat and Gastric Fluids

In an assessment of the extractability of metals in green liquor dregs from the chemical recovery circuit of semichemical pulp mill, extractable concentrations of heavy metals in artificial gastric fluid were between 10 (Ni) and 717 (Zn) times higher than those in artificial sweat fluid. Only Al (6.7 mg/kg; d.w.), Ni (1.2 mg/kg; d.w.) and Zn (1.8 mg/kg; d.w.) showed extractability in the artificial sweat fluid, whereas Al (730 mg/kg; d.w.), Ba (770 mg/kg; d.w.) and Zn (1290 mg/kg; d.w.) showed clear extractability in the artificial gastric fluid. As certain heavy metals were clearly soluble in the artificial gastric fluid, the careful handling of this residue is recommended in order to prevent the penetration of green liquor dregs across the human gastrointestinal tract.

A PN Sequence Generator based on Residue Arithmetic for Multi-User DS-CDMA Applications

The successful use of CDMA technology is based on the construction of large families of encoding sequences with good correlation properties. This paper discusses PN sequence generation based on Residue Arithmetic with an effort to improve the performance of existing interference-limited CDMA technology for mobile cellular systems. All spreading codes with residual number system proposed earlier did not consider external interferences, multipath propagation, Doppler effect etc. In literature the use of residual arithmetic in DS-CDMA was restricted to encoding of already spread sequence; where spreading of sequence is done by some existing techniques. The novelty of this paper is the use of residual number system in generation of the PN sequences which is used to spread the message signal. The significance of cross-correlation factor in alleviating multi-access interference is also discussed. The RNS based PN sequence has superior performance than most of the existing codes that are widely used in DS-CDMA applications. Simulation results suggest that the performance of the proposed system is superior to many existing systems.

A Parallel Implementation of the Reverse Converter for the Moduli Set {2n, 2n–1, 2n–1–1}

In this paper, a new reverse converter for the moduli set {2n, 2n–1, 2n–1–1} is presented. We improved a previously introduced conversion algorithm for deriving an efficient hardware design for reverse converter. Hardware architecture of the proposed converter is based on carry-save adders and regular binary adders, without the requirement for modular adders. The presented design is faster than the latest introduced reverse converter for moduli set {2n, 2n–1, 2n–1–1}. Also, it has better performance than the reverse converters for the recently introduced moduli set {2n+1–1, 2n, 2n–1}

Study on the Effect of Sulphur, Glucose, Nitrogen and Plant Residues on the Immobilization of Sulphate-S in Soil

In order to evaluate the relationship between the sulphur (S), glucose (G), nitrogen (N) and plant residues (st), sulphur immobilization and microbial transformation were monitored in five soil samples from 0-30 cm of Bastam farmers fields of Shahrood area following 11 treatments with different levels of Sulphur (S), glucose (G), N and plant residues (wheat straw) in a randomized block design with three replications and incubated over 20, 45 and 60 days, the immobilization of SO4 -2-S presented as a percentage of that added, was inversely related to its addition rate. Additions of glucose and plant residues increased with the C-to-S ratio of the added amendments, irrespective of their origins (glucose and plant residues). In the presence of C sources (glucose or plant residues). N significantly increased the immobilization of SO4 -2-S, whilst the effect of N was insignificant in the absence of a C amendment. In first few days the amounts of added SO4 -2-S immobilized were linearly correlated with the amounts of added S recovered in the soil microbial biomass. With further incubation the proportions of immobilized SO4 -2-S remaining as biomass-S decreased. Decrease in biomass-S was thought to be due to the conversion of biomass-S into soil organic-S. Glucose addition increased the immobilization (microbial utilization and incorporation into the soil organic matter) of native soil SO4 -2-S. However, N addition enhance the mineralization of soil organic-S, increasing the concentration of SO4 - 2-S in soil.

An Investigative Study into Observer based Non-Invasive Fault Detection and Diagnosis in Induction Motors

A new observer based fault detection and diagnosis scheme for predicting induction motors- faults is proposed in this paper. Prediction of incipient faults, using different variants of Kalman filter and their relative performance are evaluated. Only soft faults are considered for this work. The data generation, filter convergence issues, hypothesis testing and residue estimates are addressed. Simulink model is used for data generation and various types of faults are considered. A comparative assessment of the estimates of different observers associated with these faults is included.

Wine Grape Residues Gasification in Supercritical Water

In this study, production possibilities of hydrogen and/or methane via SCWG from black grape residues have been investigated. For this aim, grape residues which remain as a byproduct of the wine making process have been used. Since utilization from grape residues is limited due to the high moisture content, supercritical water gasification is the most convenient method. The effect of the gasification temperature and type of catalyst on supercritical water gasification have been investigated. Gasification experiments were performed in a batch autoclave at four different temperatures 300, 400, 500 and 600°C. K2CO3 and Trona (NaHCO3.Na2CO3·2H2O) were used as catalyst. Real biomass types of black grape residues have been successfully gasified and the product gas (hydrogen, methane, carbon dioxide, carbon monoxide and a small amount of ethane and ethylene) were identified by using gas chromatography. A TOC analyzer was used to determine total organic carbon (TOC) content of aqueous phase. The amounts of carboxylic acids, aldehydes, ketones, furfurals and phenols present in the aqueous solutions were analyzed by high performance liquid chromatography. When the temperature increased from 300°C to 600°C, mol% of H2 in gas products increased. The presence of catalysts improves the hydrogen yield. Trona showed gasification activity to be similar to that of K2CO3. It may be concluded that the use of Trona instead of commercially produced catalysts, can be preferably used in the gasification of biomass in supercritical water.

The Number of Rational Points on Elliptic Curves y2 = x3 + b2 Over Finite Fields

Let p be a prime number, Fpbe a finite field and let Qpdenote the set of quadratic residues in Fp. In the first section we givesome notations and preliminaries from elliptic curves. In the secondsection, we consider some properties of rational points on ellipticcurves Ep,b: y2= x3+ b2 over Fp, where b ∈ F*p. Recall that theorder of Ep,bover Fpis p + 1 if p ≡ 5(mod 6). We generalize thisresult to any field Fnp for an integer n≥ 2. Further we obtain someresults concerning the sum Σ[x]Ep,b(Fp) and Σ[y]Ep,b(Fp), thesum of x- and y- coordinates of all points (x, y) on Ep,b, and alsothe the sum Σ(x,0)Ep,b(Fp), the sum of points (x, 0) on Ep,b.

Environmental and Technical Modeling of Industrial Solid Waste Management Using Analytical Network Process; A Case Study: Gilan-IRAN

Proper management of residues originated from industrial activities is considered as one of the serious challenges faced by industrial societies due to their potential hazards to the environment. Common disposal methods for industrial solid wastes (ISWs) encompass various combinations of solely management options, i.e. recycling, incineration, composting, and sanitary landfilling. Indeed, the procedure used to evaluate and nominate the best practical methods should be based on environmental, technical, economical, and social assessments. In this paper an environmentaltechnical assessment model is developed using analytical network process (ANP) to facilitate the decision making practice for ISWs generated at Gilan province, Iran. Using the results of performed surveys on industrial units located at Gilan, the various groups of solid wastes in the research area were characterized, and four different ISW management scenarios were studied. The evaluation process was conducted using the above-mentioned model in the Super Decisions software (version 2.0.8) environment. The results indicates that the best ISW management scenario for Gilan province is consist of recycling the metal industries residues, composting the putrescible portion of ISWs, combustion of paper, wood, fabric and polymeric wastes as well as energy extraction in the incineration plant, and finally landfilling the rest of the waste stream in addition with rejected materials from recycling and compost production plants and ashes from the incineration unit.

Determination of Penicillins Residues in Livestock and Marine Products by LC/MS/MS

Multi-residue analysis method for penicillins was developed and validated in bovine muscle, chicken, milk, and flatfish. Detection was based on liquid chromatography tandem mass spectrometry (LC/MS/MS). The developed method was validated for specificity, precision, recovery, and linearity. The analytes were extracted with 80% acetonitrile and clean-up by a single reversed-phase solid-phase extraction step. Six penicillins presented recoveries higher than 76% with the exception of Amoxicillin (59.7%). Relative standard deviations (RSDs) were not more than 10%. LOQs values ranged from 0.1 and to 4.5 ug/kg. The method was applied to 128 real samples. Benzylpenicillin was detected in 15 samples and Cloxacillin was detected in 7 samples. Oxacillin was detected in 2 samples. But the detected levels were under the MRL levels for penicillins in samples.

Database Development and Discrimination Algorithms for Membrane Protein Functions

We have developed a database for membrane protein functions, which has more than 3000 experimental data on functionally important amino acid residues in membrane proteins along with sequence, structure and literature information. Further, we have proposed different methods for identifying membrane proteins based on their functions: (i) discrimination of membrane transport proteins from other globular and membrane proteins and classifying them into channels/pores, electrochemical and active transporters, and (ii) β-signal for the insertion of mitochondrial β-barrel outer membrane proteins and potential targets. Our method showed an accuracy of 82% in discriminating transport proteins and 68% to classify them into three different transporters. In addition, we have identified a motif for targeting β-signal and potential candidates for mitochondrial β-barrel membrane proteins. Our methods can be used as effective tools for genome-wide annotations.

Microbial Production of Levan using Date Syrup and Investigation of Its Properties

Levan, an exopolysaccharide, was produced by Microbacterium laevaniformans and its yield was characterized as a function of concentrations of date syrup, sucrose and the fermentation time. The optimum condition for levan production from sucrose was at concentration of 20% sucrose for 48 h and for date syrup was 25% for 48 h. The results show that an increase in fermentation time caused a decrease in the levan production at all concentrations of date syrup tested. Under these conditions after 48 h in sucrose medium, levan production reached 48.9 g/L and for date syrup reached 10.48 g/L . The effect of pH on the yield of the purified levan was examined and the optimum pH for levan production was determined to be 6.0. Levan was composed mainly of fructose residues when analyzed by TLC and FT-IR spectroscopy. Date syrup is a cheap substrate widely available in Iran and has potential for levan production. The thermal stability of levan was assessed by Thermo Gravimetric Analysis (TGA) that revealed the onset of decomposition near to 49°C for the levan produced from sucrose and 51°C for the levan from date syrup. DSC results showed a single Tg at 98°C for levan produced from sucrose and 206 °C for levan from date syrup.

Molecular Mechanism of Amino Acid Discrimination for the Editing Reaction of E.coli Leucyl-tRNA Synthetase

Certain tRNA synthetases have developed highly accurate molecular machinery to discriminate their cognate amino acids. Those aaRSs achieve their goal via editing reaction in the Connective Polypeptide 1 (CP1). Recently mutagenesis studies have revealed the critical importance of residues in the CP1 domain for editing activity and X-ray structures have shown binding mode of noncognate amino acids in the editing domain. To pursue molecular mechanism for amino acid discrimination, molecular modeling studies were performed. Our results suggest that aaRS bind the noncognate amino acid more tightly than the cognate one. Finally, by comparing binding conformations of the amino acids in three systems, the amino acid binding mode was elucidated and a discrimination mechanism proposed. The results strongly reveal that the conserved threonines are responsible for amino acid discrimination. This is achieved through side chain interactions between T252 and T247/T248 as well as between those threonines and the incoming amino acids.

Food Safety Management: Concerns from EU Tourists in Thailand

Culinary culture differences can cause health problems for international tourists in Thailand. This paper drew upon data collected from an international tourist survey conducted in Bangkok, Thailand during summer of 2012. Summer is the period that a variety food safety issues and incidents are often publicized in Thailand. The survey targeted European Union tourists- concerns toward a variety of food safety issues that they encountered during their trip in Thailand. A total of 400 respondents were elicited as data input for t-test, and one way ANOVA test. The findings revealed an astonishing result that up to 46.5 percent of respondents were sick at least one time or more in Thailand. However, the majority of respondents trusted that the Thai hotel and Thai restaurants would ensure food safety, but they did not trust street vendors to ensure food safety. The level of food safety concern can be ranked from most concern to least concern by using the value of mean scores as follows: 1) artificial coloring, 2) use of preservatives, 3) antibiotics, 4) growth hormones, 5) chemical residues, and 6) bacterial contamination. The overall mean score for level of concerns was 3.493 with standard deviation of 1.677 which did not indicate a very high level of concern. In addition, the result for t-test and one way ANOVA test revealed that there was not much effect from the demographic differences to level of food safety concerns.

Computational Design of Inhibitory Agents of BMP-Noggin Interaction to Promote Osteogenesis

Bone growth factors, such as Bone Morphogenic Protein-2 (BMP-2) have been approved by the FDA to replace grafting for some surgical interventions, but the high dose requirement limits its use in patients. Noggin, an extracellular protein, blocks the effect of BMP-2 by binding to BMP. Preventing the BMP-2/noggin interaction will help increase the free concentration of BMP-2 and therefore should enhance its efficacy to induce bone formation. The work presented here involves computational design of novel small molecule inhibitory agents of BMP-2/noggin interaction, based on our current understanding of BMP-2, and its known putative ligands (receptors and antagonists). A successful acquisition of such an inhibitory agent of BMP-2/noggin interaction would allow clinicians to reduce the dose required of BMP-2 protein in clinical applications to promote osteogenesis. The available crystal structures of the BMPs, its receptors, and the binding partner noggin were analyzed to identify the critical residues involved in their interaction. In presenting this study, LUDI de novo design method was utilized to perform virtual screening of a large number of compounds from a commercially available library against the binding sites of noggin to identify the lead chemical compounds that could potentially block BMP-noggin interaction with a high specificity.

Utilization of Glycerol Derived from Jatropha-s Biodiesel Production as a Cement Grinding Aid

Biodiesel production results in glycerol production as the main by-product in biodiesel industry.One of the utilizations of glycerol obtained from biodiesel production is as a cement grinding aid (CGA). Results showed that crude glycerol content was 40.19% whereas pure glycerol content was 82.15%. BSS value of the cement with CGA supplementation was higher than that of nonsupplemented cement (blank) indicating that CGA-supplemented cement had higher fineness than the non-supplemented one. It was also found that pure glycerol 95% and TEA 5% at 80ºC was the optimum CGA used to result in finest cement with BSS value of 4.836 cm2/g. Residue test showed that the smallest percent residue value (0.11%) was obtained in cement with supplementation of pure glycerol 95% and TEA 5%. Results of residue test confirmed those of BSS test showing that cement with supplementation of pure glycerol 95% and TEA 5% had the finest particle size.

Development of High Performance Clarification System for FBR Dissolver Liquor

A high performance clarification system has been discussed for advanced aqueous reprocessing of FBR spent fuel. Dissolver residue gives the cause of troubles on the plant operation of reprocessing. In this study, the new clarification system based on the hybrid of centrifuge and filtration was proposed to get the high separation ability of the component of whole insoluble sludge. The clarification tests of simulated solid species were carried out to evaluate the clarification performance using small-scale test apparatus of centrifuge and filter unit. The density effect of solid species on the collection efficiency was mainly evaluated in the centrifugal clarification test. In the filtration test using ceramic filter with pore size of 0.2μm, on the other hand, permeability and filtration rate were evaluated in addition to the filtration efficiency. As results, it was evaluated that the collection efficiency of solid species on the new clarification system was estimated as nearly 100%. In conclusion, the high clarification performance of dissolver liquor can be achieved by the hybrid of the centrifuge and filtration system.

Influencing of Rice Residue Management Method on GHG Emission from Rice Cultivation

Thailand is one of the world-s leaders of rice producers and exporters. Farmers have to increase the rice cultivation frequency for serving the national increasing of export-s demand. It leads to an elimination of rice residues by open burning which is the quickest and costless management method. The open burning of rice residue is one of the major causes of air pollutants and greenhouse gas (GHG) emission. Under ASEAN agreement on trans-boundary haze, Thailand set the master plan to mitigate air pollutant emission from open burning of agricultural residues. In this master plan, residues incorporation is promoted as alternative management method to open burning. However, the assessment of both options in term of GHG emission in order to investigate their contribution to long-term global warming is still scarce or inexistent. In this study, a method on rice residues assessment was first developed in order to estimate and compare GHG emissions from rice cultivation under rice residues open burning and the case with incorporation of the same amount of rice residues, using 2006 IPCC guidelines for emission estimation and Life Cycle Analysis technique. The emission from rice cultivation in different preparing area practice was also discussed.

Production of Glucose from the Hydrolysis of Cassava Residue using Bacteria Isolates from Thai Higher Termites

The possibility of using cassava residue containing 49.66% starch, 21.47% cellulose, 12.97% hemicellulose, and 21.86% lignin as a raw material to produce glucose using enzymatic hydrolysis was investigated. In the experiment, each reactor contained the cassava residue, bacteria cells, and production medium. The effects of particles size (40 mesh and 60 mesh) and strains of bacteria (A002 and M015) isolated from Thai higher termites, Microcerotermes sp., on the glucose concentration at 37°C were focused. High performance liquid chromatography (HPLC) with a refractive index detector was used to determine the quantity of glucose. The maximum glucose concentration obtained at 37°C using strain A002 and 60 mesh of the cassava residue was 1.51 g/L at 10 h.