Discovery of Human HMG-Coa Reductase Inhibitors Using Structure-Based Pharmacophore Modeling Combined with Molecular Dynamics Simulation Methodologies

3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) catalyzes the conversion of HMG-CoA to mevalonate using NADPH and the enzyme is involved in rate-controlling step of mevalonate. Inhibition of HMGR is considered as effective way to lower cholesterol levels so it is drug target to treat hypercholesterolemia, major risk factor of cardiovascular disease. To discover novel HMGR inhibitor, we performed structure-based pharmacophore modeling combined with molecular dynamics (MD) simulation. Four HMGR inhibitors were used for MD simulation and representative structure of each simulation were selected by clustering analysis. Four structure-based pharmacophore models were generated using the representative structure. The generated models were validated used in virtual screening to find novel scaffolds for inhibiting HMGR. The screened compounds were filtered by applying drug-like properties and used in molecular docking. Finally, four hit compounds were obtained and these complexes were refined using energy minimization. These compounds might be potential leads to design novel HMGR inhibitor.

Morpho-Phonological Modelling in Natural Language Processing

In this paper we propose a computational model for the representation and processing of morpho-phonological phenomena in a natural language, like Modern Greek. We aim at a unified treatment of inflection, compounding, and word-internal phonological changes, in a model that is used for both analysis and generation. After discussing certain difficulties cuase by well-known finitestate approaches, such as Koskenniemi-s two-level model [7] when applied to a computational treatment of compounding, we argue that a morphology-based model provides a more adequate account of word-internal phenomena. Contrary to the finite state approaches that cannot handle hierarchical word constituency in a satisfactory way, we propose a unification-based word grammar, as the nucleus of our strategy, which takes into consideration word representations that are based on affixation and [stem stem] or [stem word] compounds. In our formalism, feature-passing operations are formulated with the use of the unification device, and phonological rules modeling the correspondence between lexical and surface forms apply at morpheme boundaries. In the paper, examples from Modern Greek illustrate our approach. Morpheme structures, stress, and morphologically conditioned phoneme changes are analyzed and generated in a principled way.

Closing the Achievement Gap Within Reading and Mathematics Classrooms by Fostering Hispanic Students- Educational Resilience

While many studies have conducted the achievement gap between groups of students in school districts, few studies have utilized resilience research to investigate achievement gaps within classrooms. This paper aims to summarize and discuss some recent studies Waxman, Padr├│n, and their colleagues conducted, in which they examined learning environment differences between resilient and nonresilient students in reading and mathematics classrooms. The classes consist of predominantly Hispanic elementary school students from low-income families. These studies all incorporated learning environment questionnaires and systematic observation methods. Significant differences were found between resilient and nonresilient students on their classroom learning environments and classroom behaviors. The observation results indicate that the amount and quality of teacher and student academic interaction are two of the most influential variables that promote student outcomes. This paper concludes by suggesting the following teacher practices to promote resiliency in schools: (a) using feedback from classroom observation and learning environment measures, (b) employing explicit teaching practices; and (c) understanding students on a social and personal level.

Does Practice Reflect Theory? An Exploratory Study of a Successful Knowledge Management System

To investigate the correspondence of theory and practice, a successfully implemented Knowledge Management System (KMS) is explored through the lens of Alavi and Leidner-s proposed KMS framework for the analysis of an information system in knowledge management (Framework-AISKM). The applied KMS system was designed to manage curricular knowledge in a distributed university environment. The motivation for the KMS is discussed along with the types of knowledge necessary in an academic setting. Elements of the KMS involved in all phases of capturing and disseminating knowledge are described. As the KMS matures the resulting data stores form the precursor to and the potential for knowledge mining. The findings from this exploratory study indicate substantial correspondence between the successful KMS and the theory-based framework providing provisional confirmation for the framework while suggesting factors that contributed to the system-s success. Avenues for future work are described.

A Framework of the Factors Affecting the Adoption of ICT for Physical Education

Physical education (PE) is still neglected in schools despite its academic, social, psychological, and health benefits. Based on the assumption that Information and Communication Technologies (ICTs) can contribute to the development of PE in schools, this study aims to design a model of the factors affecting the adoption of ICTs for PE in schools. The proposed model is based on a sound theoretical framework. It was designed following a literature review of technology adoption theories and of ICT adoption factors for physical education. The technology adoption model that fitted to the best all ICT adoption factors was then chosen as the basis for the proposed model. It was found that the Unified Theory of Acceptance and Use of Technology (UTAUT) is the most adequate theoretical framework for the modeling of ICT adoption factors for physical education.

Volatile Organochlorine Compounds Emitted by Temperate Coniferous Forests

Chlorine is one of the most abundant elements in nature, which undergoes a complex biogeochemical cycle. Chlorine bound in some substances is partly responsible for atmospheric ozone depletion and contamination of some ecosystems. As due to international regulations anthropogenic burden of volatile organochlorines (VOCls) in atmosphere decreases, natural sources (plants, soil, abiotic formation) are expected to dominate VOCl production in the near future. Examples of plant VOCl production are methyl chloride, and bromide emission from (sub)tropical ferns, chloroform, 1,1,1-trichloroethane and tetrachloromethane emission from temperate forest fern and moss. Temperate forests are found to emit in addition to the previous compounds tetrachloroethene, and brominated volatile compounds. VOCls can be taken up and further metabolized in plants. The aim of this work is to identify and quantitatively analyze the formed VOCls in temperate forest ecosystems by a cryofocusing/GC-ECD detection method, hence filling a gap of knowledge in the biogeochemical cycle of chlorine.

Analysis of Acoustic Emission Signal for the Detection of Defective Manufactures in Press Process

Small cracks or chips of a product appear very frequently in the course of continuous production of an automatic press process system. These phenomena become the cause of not only defective product but also damage of a press mold. In order to solve this problem AE system was introduced. AE system was expected to be very effective to real time detection of the defective product and to prevention of the damage of the press molds. In this study, for pick and analysis of AE signals generated from the press process, AE sensors/pre-amplifier/analysis and processing board were used as frequently found in the other similar cases. For analysis and processing the AE signals picked in real time from the good or bad products, specialized software called cdm8 was used. As a result of this work it was conformed that intensity and shape of the various AE signals differ depending on the weight and thickness of metal sheet and process type.

Sulfamonomethoxine-Induced Urinary Calculiin Pigs

The authors report a case of swine urolithiasis caused by improper administration of sulfamonomethoxine and which was diagnosed by examination of urinary sediments and analyzing the composition of the uroliths. The chemical composition of urinary calculi obtained from affected pigs with urolithiasis was further confimed as sulfamonomethoxine by fourier transform infrared (FTIR). It is suggested that appearance of typical fanlike or wheat bunchy crystals in urinary sediments under observation of lightmicroscope and determination by FTIR for the crystals are helpful in diagnosing sulfa calculi causced swine urolithiasis.

Automatic Choice of Topics for Seminars by Clustering Students According to Their Profile

The new framework the Higher Education is immersed in involves a complete change in the way lecturers must teach and students must learn. Whereas the lecturer was the main character in traditional education, the essential goal now is to increase the students' participation in the process. Thus, one of the main tasks of lecturers in this new context is to design activities of different nature in order to encourage such participation. Seminars are one of the activities included in this environment. They are active sessions that enable going in depth into specific topics as support of other activities. They are characterized by some features such as favoring interaction between students and lecturers or improving their communication skills. Hence, planning and organizing strategic seminars is indeed a great challenge for lecturers with the aim of acquiring knowledge and abilities. This paper proposes a method using Artificial Intelligence techniques to obtain student profiles from their marks and preferences. The goal of building such profiles is twofold. First, it facilitates the task of splitting the students into different groups, each group with similar preferences and learning difficulties. Second, it makes it easy to select adequate topics to be a candidate for the seminars. The results obtained can be either a guarantee of what the lecturers could observe during the development of the course or a clue to reconsider new methodological strategies in certain topics.

Enzymatic Saccharification of Dilute Alkaline Pre-treated Microalgal (Tetraselmis suecica) Biomass for Biobutanol Production

Enzymatic saccharification of biomass for reducing sugar production is one of the crucial processes in biofuel production through biochemical conversion. In this study, enzymatic saccharification of dilute potassium hydroxide (KOH) pre-treated Tetraselmis suecica biomass was carried out by using cellulase enzyme obtained from Trichoderma longibrachiatum. Initially, the pre-treatment conditions were optimised by changing alkali reagent concentration, retention time for reaction, and temperature. The T. suecica biomass after pre-treatment was also characterized using Fourier Transform Infrared Spectra and Scanning Electron Microscope. These analyses revealed that the functional group such as acetyl and hydroxyl groups, structure and surface of T. suecica biomass were changed through pre-treatment, which is favourable for enzymatic saccharification process. Comparison of enzymatic saccharification of untreated and pre-treated microalgal biomass indicated that higher level of reducing sugar can be obtained from pre-treated T. suecica. Enzymatic saccharification of pre-treated T. suecica biomass was optimised by changing temperature, pH, and enzyme concentration to solid ratio ([E]/[S]). Highest conversion of carbohydrate into reducing sugar of 95% amounted to reducing sugar yield of 20 (wt%) from pre-treated T. suecica was obtained from saccharification, at temperature: 40°C, pH: 4.5 and [E]/[S] of 0.1 after 72 h of incubation. Hydrolysate obtained from enzymatic saccharification of pretreated T. suecica biomass was further fermented into biobutanol using Clostridium saccharoperbutyliticum as biocatalyst. The results from this study demonstrate a positive prospect of application of dilute alkaline pre-treatment to enhance enzymatic saccharification and biobutanol production from microalgal biomass.

A Hybrid DEA Model for the Measurement of the Enviromental Performance

Data envelopment analysis (DEA) has gained great popularity in environmental performance measurement because it can provide a synthetic standardized environmental performance index when pollutants are suitably incorporated into the traditional DEA framework. Since some of the environmental performance indicators cannot be controlled by companies managers, it is necessary to develop the model in a way that it could be applied when discretionary and/or non-discretionary factors were involved. In this paper, we present a semi-radial DEA approach to measuring environmental performance, which consists of non-discretionary factors. The model, then, has been applied on a real case.

Alcoholic Extract of Terminalia Arjuna Protects Rabbit Heart against Ischemic-Reperfusion Injury: Role of Antioxidant Enzymes and Heat Shock Protein

The present study was designed to investigate the cardio protective role of chronic oral administration of alcoholic extract of Terminalia arjuna in in-vivo ischemic reperfusion injury and the induction of HSP72. Rabbits, divided into three groups, and were administered with the alcoholic extract of the bark powder of Terminalia arjuna (TAAE) by oral gavage [6.75mg/kg: (T1) and 9.75mg/kg: (T2), 6 days /week for 12 weeks]. In open-chest Ketamine pentobarbitone anaesthetized rabbits, the left anterior descending coronary artery was occluded for 15 min of ischemia followed by 60 min of reperfusion. In the vehicle-treated group, ischemic-reperfusion injury (IRI) was evidenced by depression of global hemodynamic function (MAP, HR, LVEDP, peak LV (+) & (- ) (dP/dt) along with depletion of HEP compounds. Oxidative stress in IRI was evidenced by, raised levels of myocardial TBARS and depletion of endogenous myocardial antioxidants GSH, SOD and catalase. Western blot analysis showed a single band corresponding to 72 kDa in homogenates of hearts from rabbits treated with both the doses. In the alcoholic extract of the bark powder of Terminalia arjuna treatment groups, both the doses had better recovery of myocardial hemodynamic function, with significant reduction in TBARS, and rise in SOD, GSH, catalase were observed. The results of the present study suggest that the alcoholic extract of the bark powder of Terminalia arjuna in rabbit induces myocardial HSP 72 and augments myocardial endogenous antioxidants, without causing any cellular injury and offered better cardioprotection against oxidative stress associated with myocardial IR injury.

Landslide, Earthquake and Flood Hazard Risks of Izmir Metropolitan City, A Case: Altindag Landslide Areas

Urban disaster risks and vulnerabilities are great problems for Turkey. The annual loss of life and property through disaster in the world-s major metropolitan areas is increasing. Urban concentrations of the poor and less-informed in environmentally fragile locations suffer the impact of disaster disproportionately. Gecekondu (squatter) developments will compound the inherent risks associated with high-density environments, in appropriate technologies, and inadequate infrastructure. On the other hand, there are many geological disadvantages such as sitting on top of active tectonic plate boundaries, and why having avalanche, flood, and landslide and drought prone areas in Turkey. However, this natural formation is inevitable; the only way to survive in such a harsh geography is to be aware of importance of these natural events and to take political and physical measures. The main aim of this research is to bring up the magnitude of natural hazard risks in Izmir built-up zone, not being taken into consideration adequately. Because the dimensions of the peril are not taken seriously enough, the natural hazard risks, which are commonly well known, are not considered important or they are being forgotten after some time passes. Within this research, the magnitude of natural hazard risks for Izmir is being presented in the scope of concrete and local researches over Izmir risky areas.

Thermal and Mechanical Properties of Modified CaCO3 /PP Nanocomposites

Inorganic nanoparticles filled polymer composites have extended their multiple functionalities to various applications, including mechanical reinforcement, gas barrier, dimensional stability, heat distortion temperature, flame-retardant, and thermal conductivity. Sodium stearate-modified calcium carbonate (CaCO3) nanoparticles were prepared using surface modification method. The results showed that sodium stearate attached to the surface of CaCO3 nanoparticles with the chemical bond. The effect of modified CaCO3 nanoparticles on thermal properties of polypropylene (PP) was studied by means of differential scanning calorimetry (DSC) and Thermogravimetric analysis (TGA). It was found that CaCO3 significantly affected the crystallization temperature and crystallization degree of PP. Effect of the modified CaCO3 content on mechanical properties of PP/CaCO3 nanocomposites was also studied. The results showed that the modified CaCO3 can effectively improve the mechanical properties of PP. In comparison with PP, the impact strength of PP/CaCO3 nanocomposites increased by about 65% and the hardness increased by about 5%.

Solubility of Organics in Water and Silicon Oil: A Comparative Study

The aim of this study was to compare the solubility of selected volatile organic compounds in water and silicon oil using the simple static headspace method. The experimental design allowed equilibrium achievement within 30 – 60 minutes. Infinite dilution activity coefficients and Henry-s law constants for various organics representing esters, ketones, alkanes, aromatics, cycloalkanes and amines were measured at 303K. The measurements were reproducible with a relative standard deviation and coefficient of variation of 1.3x10-3 and 1.3 respectively. The static determined activity coefficients using shaker flasks were reasonably comparable to those obtained using the gas liquid - chromatographic technique and those predicted using the group contribution methods mainly the UNIFAC. Silicon oil chemically known as polydimethysiloxane was found to be better absorbent for VOCs than water which quickly becomes saturated. For example the infinite dilution mole fraction based activity coefficients of hexane is 0.503 and 277 000 in silicon oil and water respectively. Thus silicon oil gives a superior factor of 550 696. Henry-s law constants and activity coefficients at infinite dilution play a significant role in the design of scrubbers for abatement of volatile organic compounds from contaminated air streams. This paper presents the phase equilibrium of volatile organic compounds in very dilute aqueous and polymeric solutions indicating the movement and fate of chemical in air and solvent. The successful comparison of the results obtained here and those obtained using other methods by the same authors and in literature, means that the results obtained here are reliable.

Analysis of Catalytic Properties of Ni3Al Thin Foils for the Methanol and Hexane Decomposition

Intermetallic Ni3Al – based alloys belong to a group of advanced materials characterized by good chemical and physical properties (such as structural stability, corrosion resistance) which offer advenced technological applications. The paper presents the study of catalytic properties of Ni3Al foils (thickness approximately 50 &m) in the methanol and hexane decomposition. The egzamined material posses microcrystalline structure without any additional catalysts on the surface. The better catalytic activity of Ni3Al foils with respect to quartz plates in both methanol and hexane decomposition was confirmed. On thin Ni3Al foils the methanol conversion reaches approximately 100% above 480 oC while the hexane conversion reaches approximately 100% (98,5%) at 500 oC. Deposit formed during the methanol decomposition is built up of carbon nanofibers decorated with metal-like nanoparticles.

Evaluation of Guaiacol and Syringol Emission upon Wood Pyrolysis for some Fast Growing Species

Wood pyrolysis for Casuarina glauca, Casuarina cunninghamiana, Eucalyptus camaldulensis, Eucalyptus microtheca was made at 450°C with 2.5°C/min. in a flowing N2-atmosphere. The Eucalyptus genus wood gave higher values of specific gravity, ash , total extractives, lignin, N2-liquid trap distillate (NLTD) and water trap distillate (WSP) than those for Casuarina genus. The GHC of NLTD was higher for Casuarina genus than that for Eucalyptus genus with the highest value for Casuarina cunninghamiana. Guiacol, 4-ethyl-2-methoxyphenol and syringol were observed in the NLTD of all the four wood species reflecting their parent hardwood lignin origin. Eucalyptus camaldulensis wood had the highest lignin content (28.89%) and was pyrolyzed to the highest values of phenolics (73.01%), guaiacol (11.2%) and syringol (32.28%) contents in methylene chloride fraction (MCF) of NLTD. Accordingly, recoveries of syringol and guaiacol may become economically attractive from Eucalyptus camaldulensis.

Active Packaging Influence on Shelf Life Extension of Sliced Wheat Bread

The research object was wheat bread. Experiments were carried out at the Faculty of Food Technology of the Latvia University of Agriculture. An active packaging in combination with modified atmosphere (MAP, CO2 60% and N2 40%) was examined and compared with traditional packaging in air ambiance. Polymer Multibarrier 60, PP and OPP bags were used. Influence of iron based oxygen absorber in sachets of 100 cc obtained from Mitsubishi Gas Chemical Europe Ageless® was tested on the quality during the shelf of wheat bread. Samples of 40±4 g were packaged in polymer pouches (110 mm x 120 mm), hermetically sealed by MULTIVAC C300 vacuum chamber machine, and stored in room temperature +21.0±0.5 °C. The physiochemical properties – weight losses, moisture content, hardness, pH, colour, changes of atmosphere content (CO2 and O2) in headspace of packs, and microbial conditions were analysed before packaging and in the 7th, 14th, 21st and 28th days of storage.

Contaminated Soil Remediation with Hydrogen Peroxide Oxidation

The hydrogen peroxide treatment was able to remediate chlorophenols, polycyclic aromatic hydrocarbons, diesel and transformer oil contaminated soil. Chemical treatment of contaminants adsorbed in peat resulted in lower contaminants- removal and required higher addition of chemicals than the treatment of contaminants in sand. The hydrogen peroxide treatment was found to be feasible for soil remediation at natural soil pH. Contaminants in soil could degrade with the addition of hydrogen peroxide only indicating the ability of transition metals ions and minerals of these metals presented in soil to catalyse the reaction of hydrogen peroxide decomposition.

pH-Responsiveness Properties of a Biodigradable Hydrogels Based on Carrageenan-g-poly(NaAA-co-NIPAM)

A novel thermo-sensitive superabsorbent hydrogel with salt- and pH-responsiveness properties was obtained by grafting of mixtures of acrylic acid (AA) and N-isopropylacrylamide (NIPAM) monomers onto kappa-carrageenan, kC, using ammonium persulfate (APS) as a free radical initiator in the presence of methylene bisacrylamide (MBA) as a crosslinker. Infrared spectroscopy was carried out to confirm the chemical structure of the hydrogel. Moreover, morphology of the samples was examined by scanning electron microscopy (SEM). The effect of MBA concentration and AA/NIPAM weight ratio on the water absorbency capacity has been investigated. The swelling variations of hydrogels were explained according to swelling theory based on the hydrogel chemical structure. The hydrogels exhibited salt-sensitivity and cation exchange properties. The temperature- and pH-reversibility properties of the hydrogels make the intelligent polymers as good candidates for considering as potential carriers for bioactive agents, e.g. drugs.