Search results for: Molecular modeling of 17-picolyl and 17-picolinylidene androstane derivatives with anticancer activity

Authors: Yushinta Fujaya, Andi Ivo Asphama, Andi Parenrengi, Andi Tenriulo

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Blue Swimming crab (Portunus pelagicus) is an important commercial species throughout the subtropical waters and as such constitutes part of the fisheries resources. Data are lacking on the morphological variations of selected fast-growing crabs reared in a pond. This study aimed to analyze the morphological and molecular character of a selected fast-growing crab reared in ponds in South of Sulawesi. The crab seeds were obtained from local fish-trap and hatchery. A study on the growth was carried out in the population of crabs. The dimensions analyzed were carapace width (CW) measured after 3 months of grow out. Morphological character states were examined based on the pattern of spots on the carapace. Molecular analysis was performed using RAPD (Random Amplified Polymorphic DNA). Genetic distance was analysed using TFPGA (Tools for Population Genetic Analyses) version 1.3. The results showed that there were variations in the growth of crabs. These crabs clustered morphologically into three quite distinct groups. The crab with white spots irregularly spread over its carapace was the largest size while the crab with large white spots scattered over the carapace was the smaller size (3%). The crab with small white spots scattered over the carapace was the smallest size found in this study. Molecular analysis showed that there are morphologically and genetically different between groups of crabs. Genetic distances among crabs ranged from 0.1527 to 0.5856. Thus, this study provides information the use of white spots pattern over carapace as indicators to identify the type of blue swimming crabs.

Keywords: crab, portunus pelagicus, morphology, RAPD, Carapace

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Authors: An-Ya Lo, Yi-Chen Chung, Yun-Chi Hsu, Chuan-Ming Tseng, Chiu-Yue Lin

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In this study, the ternary alloy catalyst Pt20RuxSny (where 20, x, y represent mass fractions of Pt, Ru, and Sn, respectively) was optimized for the preliminary study of bio-ethanol fuel cells (BAFC). The morphology, microstructure, composition, phase-structures, and electrochemical properties of Pt20RuxSny catalyst were examined by SEM, TEM, EDS-mapping, XRD, and potentiostat. The effect of Sn content on electrochemical active surface (EAS) and oxidation activity were discussed. As a result, the additional Sn greatly improves the efficiency of Pt20RuxSny, either x=0 or 10. Through discussing the difference between ethanol and glycol oxidations, the mechanism of tolerance against poisoning has been proved. Overall speaking, the catalytic activity are in the order of Pt20RuxSny > Pt20Rux > Pt20Sny in both ethanol and glycol systems. Finally, Pt20Ru10Sn15 catalyst was successfully applied to demonstrate the feasibility of using bio-alcohol.

Keywords: Pt-Sn alloy catalyst, Pt-Ru-Sn alloy catalyst, fuel cell, ethanol, ethylene glycol

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Authors: Awangku Hassanal Bahar Pengiran Bagul

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Ecotourism has been the signature tourism activity for Sabah since the 90s, and it has become a model of sustainable tourism development for Malaysia due to its ability to enhance conservation activities and local community development. This paper outlines the experience in developing indicators for the success of the local community participation of an ecotourism site, Sukau, in Sabah. The research was qualitative in nature and employed case study as its methodology. The outcome of this research suggested that Sukau has a mixed success with local community participation for the ecotourism activity. The community is in need of coaching and capacity building to intensify the ecotourism activity However, the ecotourism has successfully promoted conservation at its surrounding area.

Keywords: community, ecotourism, rural development, success, sustainable tourism

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Authors: Tariq Ali Gujar, Anita Hökelmann

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Postural balance plays essential role throughout life in daily activities. Somatosensory, visual and vestibular inputs play the fundamental role in maintaining body equilibrium to balance the posture. The aim of this study was to find out electroencephalography (EEG) responses during balance activity of young people during Sensory Organization Balance Test. The outcome of this study will help to create the fitness and neurorehabilitation plan. 25 young people (25 ± 3.1 years) have been analyzed on Balance Master NeuroCom® with the coupling of Brain Vision 32 electrode wireless EEG system during the Sensory Organization Test. From the results it has been found that the balance score of samples is significantly higher under the influence of somatosensory input as compared to visual and vestibular input (p < 0.05). The EEG between somatosensory and visual input to balance the posture showed significantly higher (p < 0.05) alpha and beta activities during somatosensory input in somatosensory, attention and visual functions of the cortex whereas executive and motor functions of the cerebral cortex showed significantly higher (p < 0.05) alpha EEG activity during the visual input. The results suggest that somatosensory and attention function of the cerebral cortex has alpha and beta activity, respectively high during somatosensory and vestibular input in maintaining balance. In patients with balance impairments both physical and cognitive training, including neurofeedback will be helpful to improve balance abilities.

Keywords: balance, electroencephalography activity, somatosensory, visual, vestibular

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Authors: Elmira Ghanbari, Jan Van Esch, Stephen J. Picken, Sahil Aggarwal

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Low-molecular-weight organogelators form gels by self-assembly into the crystalline network which immobilizes the organic solvent. For single bisamide organogelator systems, the effect of the molecular structure on the molecular interaction and their self-assembly behavior has been explored. The spatial arrangement of bisamide molecules in the gel-state is driven by a combination of hydrogen bonding and Van der Waals interactions. The hydrogen-bonding pattern between the amide groups of bisamide molecules is regulated by the number of methylene spacers; the even number of methylene spacers between two amide groups, in even-spaced bisamides, leads to the antiparallel position of amide groups within a molecule. An even-spaced bisamide molecule with antiparallel amide groups can make two pairs of hydrogen bonding with the molecules on the same plane. The odd-spaced bisamide with a parallel directionality of amide groups can form four independent hydrogen bonds with four other bisamide molecules on different planes. The arrangement of bisamide molecules in the crystalline state and the interaction of these molecules depends on the molecular structure, particularly the parity of the spacer length between the amide groups in the bisamide molecule. In this study, the directionality of amide groups has been exploited as a structural characteristic to affect the arrangement of molecules in the crystalline state and produce different binary bisamide gelators with different degrees of crystallinities. Single odd- and even-spaced single bisamides were synthesized and blended to produce binary bisamide organogelators to be characterized in order to understand the effect of the different directionality of amide groups on the molecular interaction in the crystalline state. The pattern of molecular interactions between these blended molecules, mixing or phase separation, has been monitored via differential scanning calorimetry (DSC) and crystallography techniques; X-ray powder diffraction (XRD) and Small-angle X-ray scattering (SAXS). The formation of lamellar structures for odd- and even-spaced bisamide gelators was confirmed by using SAXS and XRD techniques. DSC results have shown that binary bisamide organogelators with different parity of methylene spacers (odd-even binary blends) have a higher tendency for phase separation compared to the binary bisamides with the same parity (odd-odd or even-even binary blends). Phase separation in binary odd-even bisamides was confirmed by the presence of individual (100) reflections of odd and even lamellar structures. The structural characteristic of bisamide organogelators, the parity of spacer length in binary systems, is a promising tool to control the arrangement of molecules and their crystalline structure.

Keywords: binary bisamide organogelators, crystalline structure, phase separation, self-assembly behavior

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Authors: Thi Huong Vu, Haelee Fenton, Thi Huong Tra Nguyen, Gary Dykes

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In the present study, a submerged fermentation of carob kibble with Saccharomyces cerevisiae (S. cerevisiae) was performed. The total phenolic content and antioxidant activity in fermented carob kibble were determined by Folin–Ciocalteu method and scavenging capacity using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS). The study showed that S. cerevisiae improved total phenolic content by 45 % and 50 % in acetone and water extracts respectively. Similarly, the antioxidant capacity of water extracts increased by 25 % and 41%, while acetone extracts indicated by 70% and 80% in DPPH and ABTS respectively. It is also found that initial pH 7.0 was more effective in improvement of total phenolic content and antioxidant activity. The efficiency of treatment was recorded at 15 h. This report suggested that submerged fermentation with S. cerevisiae is a potential and cost effective manner to further increase bioactive compounds in carob kibble, which are in use for food, cosmetic and pharmaceutical industries.

Keywords: antioxidant activity, carob kibble, saccharomyces cerevisiae, submerged fermentation, total phenolics

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Authors: Gia Surguladze, Nino Topuria, Lily Petriashvili, Giorgi Surguladze

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Modeling of building processes of a multimodal freight transportation support information system is discussed based on modern CASE technologies. Functional efficiencies of ports in the eastern part of the Black Sea are analyzed taking into account their ecological, seasonal, resource usage parameters. By resources, we mean capacities of berths, cranes, automotive transport, as well as work crews and neighbouring airports. For the purpose of designing database of computer support system for Managerial (Logistics) function, using Object-Role Modeling (ORM) tool (NORMA – Natural ORM Architecture) is proposed, after which Entity Relationship Model (ERM) is generated in automated process. The software is developed based on Process-Oriented and Service-Oriented architecture, in Visual Studio.NET environment.

Keywords: seaport resources, business-processes, multimodal transportation, CASE technology, object-role model, entity relationship model, SOA

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Authors: Zineddine Bouyahiaoui, Rabah Haoui

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The aim of this work is to analyze a flow around the axisymmetric blunt body taken into account the chemical and vibrational nonequilibrium flow. This work concerns the entry of spacecraft in the atmosphere of the planet Mars. Since the equations involved are non-linear partial derivatives, the volume method is the only way to solve this problem. The choice of the mesh and the CFL is a condition for the convergence to have the stationary solution.

Keywords: blunt body, finite volume, hypersonic flow, viscous flow

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Authors: Mohamed H. El-Newehy, Badr M. Thamer, Nasser A. M. Barakat, Mohammad A.Abdelkareem, Salem S. Al-Deyab, Hak Y. Kim

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In this study, the influence of nitrogen doping on the electrocatalytic activity of carbon nanofibers with nickel nanoparticles toward methanol oxidation is introduced. The modified carbon nanofibers have been synthesized from calcination of electrospun nanofiber mats composed of nickel acetate tetrahydrate, poly(vinyl alcohol) and urea in argon atmosphere at 750oC. The utilized physicochemical characterizations indicated that the proposed strategy leads to form carbon nanofibers having nickel nanoparticles and doped by nitrogen. Moreover, due to the high-applied voltage during the electrospinning process, the utilized urea chemically bonds with the polymer matrix, which leads to form nitrogen-doped CNFs after the calcination process. Investigation of the electrocatalytic activity indicated that nitrogen doping NiCNFs strongly enhances the oxidation process of methanol as the current density increases from 52.5 to 198.5 mA/cm2 when the urea content in the original electrospun solution was 4 wt% urea. Moreover, the nanofibrous morphology exhibits distinct impact on the electrocatalytic activity. Also, nitrogen-doping enhanced the stability of the introduced Ni-based electrocatalyst. Overall, the present study introduces effective and simple strategy to modify the electrocatalytic activity of the nickel-based materials.

Keywords: electrospinning, methanol electrooxidation, fuel cells, nitrogen-doping, nickel

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Authors: Syed Amer Mahmood, Rao Mansor Ali Khan

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This study deals with the remote sensing analysis of tectonic deformation and its implications to understand the regional uplift conditions in the lower Jhelum and eastern Potwar. Identification and mapping of active structures is an important issue in order to assess seismic hazards and to understand the Quaternary deformation of the region. Digital elevation models (DEMs) provide an opportunity to quantify land surface geometry in terms of elevation and its derivatives. Tectonic movement along the faults is often reflected by characteristic geomorphological features such as elevation, stream offsets, slope breaks and the contributing drainage area. The river profile analysis in this region using SRTM digital elevation model gives information about the tectonic influence on the local drainage network. The steepness and concavity indices have been calculated by power law of scaling relations under steady state conditions. An uplift rate map is prepared after carefully analysing the local drainage network showing uplift rates in mm/year. The active faults in the region control local drainages and the deflection of stream channels is a further evidence of the recent fault activity. The results show variable relative uplift conditions along MBT and Riasi and represent a wonderful example of the recency of uplift, as well as the influence of active tectonics on the evolution of young orogens.

Keywords: quaternary deformation, SRTM DEM, geomorphometric indices, active tectonics and MBT

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Authors: Emi Yuda, Yutaka Yoshida, Junichiro Hayano

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Distinct circadian rhythm of activity, i.e., high activity during the day and deep rest at night are a typical feature of a healthy lifestyle. Exposure to the skylight is thought to be an important factor to increase arousal level and maintain normal circadian rhythm. To examine whether sunshine hours influence the day-night contract of activity, we analyzed the relationship between 24-hour heart rate (HR) and weather data of the recording day. We analyzed data in 36,500 males and 49,854 females of Allostatic State Mapping by Ambulatory ECG Repository (ALLSTAR) database in Japan. Median (IQR) sunshine duration was 5.3 (2.8-7.9) hr. While sunshine hours had only modest effects of increasing 24-hour average HR in either gender (P=0.0282 and 0.0248 for male and female) and no significant effects on nighttime HR in either gender, it increased daytime HR (P = 0.0007 and 0.0015) and day-night HF difference in both genders (P < 0.0001 for both) even after adjusting for the effects of average temperature, atmospheric pressure, and humidity. Our observations support for the hypothesis that longer sunshine hours enhance circadian rhythm of activity.

Keywords: big data, circadian rhythm, heart rate, sunshine

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Authors: W. Sriwattanapongse, S. Prasitwattanaseree, S. Wongtrangan

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The transportation accidents mortality is a major problem that leads to loss of human lives, and economic. The objective was to identify patterns of statistical modeling for estimating mortality rates due to transportation accidents in Thailand by using data from 2000 to 2009. The data was taken from the death certificate, vital registration database. The number of deaths and mortality rates were computed classifying by gender, age, year and region. There were 114,790 cases of transportation accidents deaths. The highest average age-specific transport accident mortality rate is 3.11 per 100,000 per year in males, Southern region and the lowest average age-specific transport accident mortality rate is 1.79 per 100,000 per year in females, North-East region. Linear, poisson and negative binomial models were chosen for fitting statistical model. Among the models fitted, the best was chosen based on the analysis of deviance and AIC. The negative binomial model was clearly appropriate fitted.

Keywords: transportation accidents, mortality, modeling, analysis of deviance

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Authors: Stephy Saavedra, Annsy C. Arredondo, Gisele Monteiro, Adalberto Pessoa Jr, Carol N. Flores-Fernandez, Amparo I. Zavaleta

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L-asparaginase from bacterial sources is used in leukemic treatment and food industry. This enzyme is classified based on its affinity towards L-asparagine and L-glutamine. Likewise, ansZ genes express L-asparaginase with higher affinity to L-asparagine. The aim of this work was to clone and express of ansZ gene from Bacillus sp. CH11 isolated from Chilca salterns in Peru. The gene encoding L-asparaginase was cloned into pET15b vector and transformed in Escherichia coli BL21 (DE3) pLysS. The expression was carried out in a batch culture using LB broth and 0.5 mM IPTG. The recombinant L-asparaginase showed a molecular weight of ~ 39 kDa by SDS PAGE and a specific activity of 3.19 IU/mg of protein. The cloning and expression of ansZ gene from this halotolerant Bacillus sp. CH11 allowed having a biological input to improve a future scaling-up.

Keywords: ansZ gene, Bacillus sp, Chilca salterns, recombinant L-asparaginase

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Authors: Hřebíčková Sylva, Grasgruber Pavel, Ondráček Jan, Cacek Jan, Kalina Tomáš

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The aim of this study was to describe typical changes in several parameters of body composition – the amount of skeletal muscle mass (SMM), % body fat (BF) and body mass index (BMI) - in selected age categories (30+ years) of men and women in the Czech Republic, depending on the degree of sports activity. Study (n = 823, M = 343, F = 480) monitored differences in BF, SM and BMI in five age groups (from 30-39 years to 70+ years). Physically inactive individuals have (p < 0.05) higher % BF in comparison with physically active individuals (29.5 ± 0.59 vs. 27 ± 0.38%), higher BMI (27.3 ± 0.32 vs. 26.1 ± 0.20 kg/m2), but lower SM (39.0 ± 0.33 vs. 40.4 ± 0.21%). The results indicate that with an increasing age, there is a trend towards increasing values of BMI and % BF, and decreasing values of SMM.

Keywords: body composition, body fat, physical activity, skeletal muscle

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Authors: Sana Abbasa, Shahzad Bhattiab, Nadir Khan

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Sargassum siliquastrum is brown seaweed with traditional claims for some medicinal properties. This research was done to investigate the methanol extract of S. siliquastrum for antiproliferative activity against human cervical cancer cell line, HeLa and its mode of cell death. From methylene blue assay, S. siliquastrum exhibited antiproliferative activity on HeLa cells with IC50 of 3.87 µg/ml without affecting non-malignant cells. Phase contrast microscopy indicated the confluency reduction in HeLa cells and changes on the cell shape. Nuclear staining with Hoechst 33258 displayed the formation of apoptotic bodies and fragmented nuclei. S. siliquastrum also induced early apoptosis event in HeLa cells as confirmed by FITC-Annexin V/propidium iodide staining by flow cytometry analysis. Cell cycle analysis indicated growth arrest of HeLa cells at G1/S phase. Protein study by flow cytometry indicated the increment of p53, slight increase of Bax and unchanged level of Bcl-2. In conclusion, S. siliquastrum demonstrated an antiproliferative activity in HeLa cell by inducing G1/S cell cycle arrest via p53-mediated pathway.

Keywords: sargassum siliquastrum, cervical cancer, P53, antiproleferation

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Authors: Devin Simmons

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At the USDOT’s Bureau of Transportation Statistics, a biannual census of ferry operators in the U.S. is conducted, with results such as route mileage used to determine federal funding levels for operators. AIS data allows for the possibility of using GIS software and geographical methods to confirm operator-reported mileage for individual ferry routes. As part of the USDOT’s work on the ferry census, an algorithm was developed that uses AIS data for ferry vessels in conjunction with known ferry terminal locations to model the average route travelled for use as both a cartographic product and confirmation of operator-reported mileage. AIS data from each vessel is first analyzed to determine individual journeys based on the vessel’s velocity, and changes in velocity over time. These trips are then converted to geographic linestring objects. Using the terminal locations, the algorithm then determines whether the trip represented a known ferry route. Given a large enough dataset, routes will be represented by multiple trip linestrings, which are then filtered by DBSCAN spatial clustering to remove outliers. Finally, these remaining trips are ready to be averaged into one route. The algorithm interpolates the point on each trip linestring that represents the start point. From these start points, a centroid is calculated, and the first point of the average route is determined. Each trip is interpolated again to find the point that represents one percent of the journey’s completion, and the centroid of those points is used as the next point in the average route, and so on until 100 points have been calculated. Routes created using this algorithm have shown demonstrable improvement over previous methods, which included the implementation of a LOESS model. Additionally, the algorithm greatly reduces the amount of manual digitizing needed to visualize ferry activity.

Keywords: ferry vessels, transportation, modeling, AIS data

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Authors: Saber Fatourechian

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People within modern cities have faced macro urban values spreads rapidly through current style of living. Unexpected phenomena without any specific features of micro scale, humanity and urban social/cultural patterns. The gap between micro and macro scale is unidentified and people could not recognize where they are especially in the interaction between life and city. Urban life details were verified. Micro architecture is a pattern in which human activity derives from human needs in an unconscious position. Sustainable attitude via micro architecture causes flexibility in decision making through micro urbanism essentially impacts macro scale. In this paper the definition of micro architecture and its relation with city and human activity are argued, there after the interaction between micro and macro scale is presented as an effective way for urban sustainable development.

Keywords: micro architecture, sustainability, human activity, city

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Authors: Y. Z. Gad

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Disorders of Sex Development (DSD) are defined as congenital conditions in which development of chromosomal, gonadal or anatomical sex is atypical. The DSD are relatively prevalent in Egypt. In spite of that, the relative rarity of the individual disease types or their molecular pathologies frequently resulted in reporting on single or few cases. This augmented the challenging nature of phenotype-genotype correlation in this disease group and its utilization in the management of such medical emergency. Through critical assessment of the published DSD reports, the current review aims at analyzing the clinical characteristics of the various DSD forms in relation to the underlying molecular pathologies. A systematic literature search was done in Pubmed, using relevant keywords (Egypt versus DSD, genital ambiguity or ambiguous genitalia, the old terms of 'intersex, hermaphroditism and pseudohermaphroditism', and a list of the DSD entities and their related genes). The search yielded 24 reports of molecular data in Egyptian patients presenting with ambiguous genitalia. However, only 21 publications fulfilled the criteria of inclusion of detailed clinical descriptions and definitive molecular diagnoses of individual patients. Curation of the data yielded a total of 53 cases that were ascertained from 40 families. Fifty-one patients present with ambiguous genitalia only while 2 had multiple congenital anomalies. Parental consanguinity was noted in 60% of cases. Sex of rearing at initial presentation was female in 75% and 60% in 46,XY and 46,XX DSD cases, respectively. The external genital phenotype in 2/3 of the 46,XY DSD cases showed moderate undermasculinization [Quigley scores 3 & 4] and 1/3 had severe presentations [scores 5 & 6]. For 46,XX subjects, 1 had severe virilization of the external genitalia while 8 had moderate phenotype. Hormonal data were inconclusive or contradictory to final diagnosis in a forth of cases. Collectively, 31 families [31/40, 77.5%] with 46,XY DSD had molecular defects in the genes, 5 alpha reductase 2 (SRD5A2) [12/31], 17 beta-hydroxysteroid dehydrogenase 3 [8/31], androgen receptor [7/31], Steroidogenic factor 1 [2/31], luteinizing hormone receptor [1/31], and fibroblast growth factor receptor 1 [1/31]. In a multiethnic study, 9 families afflicted with 46,XX DSD due to 11 beta hydroxylase (CYP11B1) deficiency were documented. Two recurrent mutations, G34R and N160D, in SRD5A2 were present, respectively, in 42 and 17% of cases. Similarly, 4 recurrent mutations resulted in 89% of the CYP11B1 presentations. In conclusion, this analysis highlights the importance of autosomal recessive inheritance and inbreeding among DSD presentations, the importance of founder effect in at least 2 disorders, the difficulties in relating the genotype with the indeterminate genital phenotype, the under-reporting of some DSD subtypes, and the notion that the reported mutational profiles among Egyptian DSD cases are relatively different from those reported in other ethnic groups.

Keywords: disorders of sex development, genital ambiguity, mutation, molecular diagnosis, Egypt

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Authors: Chunyang Miao, Bingxin Li, Shanglong Ning, Christopher J. B. Ford

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While it is challenging to fabricate electronic devices close to atomic dimensions in conventional top-down lithography, molecular electronics is promising to help maintain the exponential increase in component densities via using molecular building blocks to fabricate electronic components from the bottom up. It offers smaller, faster, and more energy-efficient electronic and photonic systems. A self-assembled monolayer (SAM) of molecules is a layer of molecules that self-assembles on a substrate. They are mechanically flexible, optically transparent, low-cost, and easy to fabricate. A large-area multi-layer structure has been designed and investigated by the team, where a SAM of designed molecules is sandwiched between graphene and gold electrodes. Each molecule can act as a quantum dot, with all molecules conducting in parallel. When a source-drain bias is applied, significant current flows only if a molecular orbital (HOMO or LUMO) lies within the source-drain energy window. If electrons tunnel sequentially on and off the molecule, the charge on the molecule is well-defined and the finite charging energy causes Coulomb blockade of transport until the molecular orbital comes within the energy window. This produces ‘Coulomb diamonds’ in the conductance vs source-drain and gate voltages. For different tunnel barriers at either end of the molecule, it is harder for electrons to tunnel out of the dot than in (or vice versa), resulting in the accumulation of two or more charges and a ‘Coulomb staircase’ in the current vs voltage. This nanostructure exhibits highly reproducible Coulomb-staircase patterns, together with additional oscillations, which are believed to be attributed to molecular vibrations. Molecules are more isolated than semiconductor dots, and so have a discrete phonon spectrum. When tunnelling into or out of a molecule, one or more vibronic states can be excited in the molecule, providing additional transport channels and resulting in additional peaks in the conductance. For useful molecular electronic devices, achieving the optimum orbital alignment of molecules to the Fermi energy in the leads is essential. To explore it, a drop of ionic liquid is employed on top of the graphene to establish an electric field at the graphene, which screens poorly, gating the molecules underneath. Results for various molecules with different alignments of Fermi energy to HOMO have shown highly reproducible Coulomb-diamond patterns, which agree reasonably with DFT calculations. In summary, this large-area SAM molecular junction is a promising candidate for future electronic circuits. (1) The small size (1-10nm) of the molecules and good flexibility of the SAM lead to the scalable assembly of ultra-high densities of functional molecules, with advantages in cost, efficiency, and power dissipation. (2) The contacting technique using graphene enables mass fabrication. (3) Its well-observed Coulomb blockade behaviour, narrow molecular resonances, and well-resolved vibronic states offer good tuneability for various functionalities, such as switches, thermoelectric generators, and memristors, etc.

Keywords: molecular electronics, Coulomb blokade, electron-phonon coupling, self-assembled monolayer

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Authors: Akanit Pisalwadcharin, Komate Satayawut, Virachnee Lohachoompol

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Green tea, mangosteen and pomegranate contain high levels of bioactive compounds which have antioxidant effects and great potential in food applications. The aim of this study was to produce and determine catechin contents, total phenolic contents, antioxidant activity and phenolic compounds of two instant fruit green tea powders which were green tea fortified with mangosteen juice and green tea fortified with pomegranate juice. Seventy percent of hot water extract of green tea was mixed with 30% of mangosteen juice or pomegranate juice, and then spray-dried using a spray dryer. The results showed that the drying conditions optimized for the highest total phenolic contents, catechin contents and antioxidant activity of both powders were the inlet air temperature of 170°C, outlet air temperatures of 90°C and maltodextrin concentration of 30%. The instant green tea with mangosteen powder had total phenolic contents, catechin contents and antioxidant activity of 19.18 (mg gallic acid/kg), 85.44 (mg/kg) and 4,334 (µmoles TE/100 g), respectively. The instant green tea with pomegranate powder had total phenolic contents, catechin contents and antioxidant activity of 32.72 (mg gallic acid/kg), 156.36 (mg/kg) and 6,283 (µmoles TE/100 g), respectively. The phenolic compounds in instant green tea with mangosteen powder comprised of tannic acid (2,156.87 mg/kg), epigallocatechin-3-gallate (898.23 mg/kg) and rutin (13.74 mg/kg). Also, the phenolic compounds in instant green tea with pomegranate powder comprised of tannic acid (2,275.82 mg/kg), epigallocatechin-3-gallate (981.23 mg/kg), rutin (14.97 mg/kg) and i-quercetin (5.86 mg/kg).

Keywords: green tea, mangosteen, pomegranate, antioxidant activity

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Authors: Elisa Y. M. Ang, Teng Yong Ng, Jingjie Yeo, Rongming Lin, Zishun Liu, K. R. Geethalakshmi

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By stacking carbon nanotubes (CNT) one on top of another, single layer CNT arrays can perform water-salt separation with ultra-high permeability and selectivity. Such outer-wall CNT slit membrane is named as the transverse flow CNT membrane. By adjusting the slit size between neighboring CNTs, the membrane can be configured to sieve out different solutes, right down to the separation of monovalent salt ions from water. Molecular dynamics (MD) simulation results show that the permeability of transverse flow CNT membrane is more than two times that of conventional axial-flow CNT membranes, and orders of magnitude higher than current reverse osmosis membrane. In addition, by carrying out MD simulations with different CNT size, it was observed that the variance in desalination performance with CNT size is small. This insensitivity of the transverse flow CNT membrane’s performance to CNT size is a distinct advantage over axial flow CNT membrane designs. Not only does the membrane operate well under constant pressure desalination operation, but MD simulations further indicate that oscillatory operation can further enhance the membrane’s desalination performance, making it suitable for operation such as electrodialysis reversal. While there are still challenges that need to be overcome, particularly on the physical fabrication of such membrane, it is hope that this versatile membrane design can bring the idea of using low dimensional structures for desalination closer to reality.

Keywords: carbon nanotubes, membrane desalination, transverse flow carbon nanotube membrane, molecular dynamics

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Authors: Viacheslav Shkuratskyy, Aminu Bello Usman, Michael O’Dea, Saifur Rahman Sabuj

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This paper examines relationships between solar activity and earthquakes; it applied machine learning techniques: K-nearest neighbour, support vector regression, random forest regression, and long short-term memory network. Data from the SILSO World Data Center, the NOAA National Center, the GOES satellite, NASA OMNIWeb, and the United States Geological Survey were used for the experiment. The 23rd and 24th solar cycles, daily sunspot number, solar wind velocity, proton density, and proton temperature were all included in the dataset. The study also examined sunspots, solar wind, and solar flares, which all reflect solar activity and earthquake frequency distribution by magnitude and depth. The findings showed that the long short-term memory network model predicts earthquakes more correctly than the other models applied in the study, and solar activity is more likely to affect earthquakes of lower magnitude and shallow depth than earthquakes of magnitude 5.5 or larger with intermediate depth and deep depth.

Keywords: k-nearest neighbour, support vector regression, random forest regression, long short-term memory network, earthquakes, solar activity, sunspot number, solar wind, solar flares

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Authors: Akanksha Bhatnagar, Sandhya Kortegare, Felice Elefant

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Context: Alzheimer's disease (AD) is a neurodegenerative disorder that is characterized by progressive cognitive decline and memory loss. The cause of AD is not fully understood, but it is thought to be caused by a combination of genetic, environmental, and lifestyle factors. One of the hallmarks of AD is the loss of neurons in the hippocampus, a brain region that is important for memory and learning. This loss of neurons is thought to be caused by a decrease in histone acetylation, which is a process that regulates gene expression. Research Aim: The research aim of the study was to develop mall molecule compounds that can enhance the activity of Tip60, a histone acetyltransferase that is important for memory and learning. Methodology/Analysis: The researchers used in silico structural modeling and a pharmacophore-based virtual screening approach to design and synthesize small molecule compounds strongly predicted to target and enhance Tip60’s HAT activity. The compounds were then tested in vitro and in vivo to assess their ability to enhance Tip60 activity and rescue cognitive deficits in AD models. Findings: The researchers found that several of the compounds were able to enhance Tip60 activity and rescue cognitive deficits in AD models. The compounds were also developed to cross the blood-brain barrier, which is an important factor for the development of potential AD therapeutics. Theoretical Importance: The findings of this study suggest that Tip60 HAT activators have the potential to be developed as therapeutic agents for AD. The compounds are specific to Tip60, which suggests that they may have fewer side effects than other HDAC inhibitors. Additionally, the compounds are able to cross the blood-brain barrier, which is a major hurdle for the development of AD therapeutics. Data Collection: The study collected data from a variety of sources, including in vitro assays and animal models. The in vitro assays assessed the ability of compounds to enhance Tip60 activity using histone acetyltransferase (HAT) enzyme assays and chromatin immunoprecipitation assays. Animal models were used to assess the ability of the compounds to rescue cognitive deficits in AD models using a variety of behavioral tests, including locomotor ability, sensory learning, and recognition tasks. The human clinical trials will be used to assess the safety and efficacy of the compounds in humans. Questions: The question addressed by this study was whether Tip60 HAT activators could be developed as therapeutic agents for AD. Conclusions: The findings of this study suggest that Tip60 HAT activators have the potential to be developed as therapeutic agents for AD. The compounds are specific to Tip60, which suggests that they may have fewer side effects than other HDAC inhibitors. Additionally, the compounds are able to cross the blood-brain barrier, which is a major hurdle for the development of AD therapeutics. Further research is needed to confirm the safety and efficacy of these compounds in humans.

Keywords: Alzheimer's disease, cognition, neuroepigenetics, drug discovery

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Authors: Huda Qari, I. A. Hassan

Abstract:

The brown alga Padina boryanawas was used for bioassay of polycyclic aromatic hydrocarbons (PAHs) accumulation at the seashore of Jeddah city. PAHs were determined in the coastal water and algal tissues by GC-MS. Acenaphthene (Ace) and dibenzo (a,h) anthracene (dB(a,h)An) were the main PAHs in seawater (50.02 and 46.18) and algal tissues (64.67 and 72.45), respectively. The ratios of low molecular weight/high molecular weight hydrocarbons (1.76 – 1.44), fluoranthene/pyrene (1.57 – 1.52) and phenanthrene/anthracene (0.86 – 0.67) in seawater and algal tissues, respectively, indicated the origin of the PAHs to be mainly petrogenic. This study has demonstrated the utility of using Padina boryanawas as a biomonitor of PAH contamination and bioavailability in the coastal waters.

Keywords: polycyclic aromatic hydrocarbons, Padina boryanawas, bioaccumulation, waste water

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Authors: Phumelele Kubheka, Pius Owolawi, Gbolahan Aiyetoro

Abstract:

Twitter is one of the most popular social media platforms where users can share their opinions on different subjects. As of 2010, The Twitter platform generates more than 12 Terabytes of data daily, ~ 4.3 petabytes in a single year. For this reason, Twitter is a great source for big mining data. Many industries such as Telecommunication companies can leverage the availability of Twitter data to better understand their markets and make an appropriate business decision. This study performs topic modeling on Twitter data using Latent Dirichlet Allocation (LDA). The obtained results are benchmarked with another topic modeling technique, Latent Semantic Indexing (LSI). The study aims to retrieve topics on a Twitter dataset containing user tweets on South African Telcos. Results from this study show that LSI is much faster than LDA. However, LDA yields better results with higher topic coherence by 8% for the best-performing model represented in Table 1. A higher topic coherence score indicates better performance of the model.

Keywords: big data, latent Dirichlet allocation, latent semantic indexing, telco, topic modeling, twitter

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Authors: Hasan Demiroğlu, Uğur Avcıbaşı, Serhan Sakarya, Perihan Ünak

Abstract:

Implanted devices are progressively practiced in innovative medicine to relieve pain or improve a compromised function. Implant-associated infections represent an emerging complication, caused by organisms which adhere to the implant surface and grow embedded in a protective extracellular polymeric matrix, known as a biofilm. In addition, the microorganisms within biofilms enter a stationary growth phase and become phenotypically resistant to most antimicrobials, frequently causing treatment failure. In such cases, surgical removal of the implant is often required, causing high morbidity and substantial healthcare costs. Staphylococcus aureus is the most common pathogen causing implant-associated infections. Successful treatment of these infections includes early surgical intervention and antimicrobial treatment with bactericidal drugs that also act on the surface-adhering microorganisms. Linezolid is a promising anti-microbial with ant-staphylococcal activity, used for the treatment of MRSA infections. Linezolid is a synthetic antimicrobial and member of oxazolidinoni group, with a bacteriostatic or bactericidal dose-dependent antimicrobial mechanism against gram-positive bacteria. Intensive use of antibiotics, have emerged multi-resistant organisms over the years and major problems have begun to be experienced in the treatment of infections occurred with them. While new drugs have been developed worldwide, on the other hand infections formed with microorganisms which gained resistance against these drugs were reported and the scale of the problem increases gradually. Scientific studies about the production of bacterial biofilm increased in recent years. For this purpose, we investigated the activity of Lin, Lin radiolabeled with 131I (131I-Lin) and cold iodinated Lin (127I-Lin) against clinical strains of Staphylococcus aureus DSM 4910 in biofilm. In the first stage, radio and cold labeling studies were performed. Quality-control studies of Lin and iodo (radio and cold) Lin derivatives were carried out by using TLC (Thin Layer Radiochromatography) and HPLC (High Pressure Liquid Chromatography). In this context, it was found that the binding yield was obtained to be about 86±2 % for 131I-Lin. The minimal inhibitory concentration (MIC) of Lin, 127I-Lin and 131I-Lin for Staphylococcus aureus DSM 4910 strain were found to be 1µg/mL. In time-kill studies of Lin, 127I-Lin and 131I-Lin were producing ≥ 3 log10 decreases in viable counts (cfu/ml) within 6 h at 2 and 4 fold of MIC respectively. No viable bacteria were observed within the 24 h of the experiments. Biofilm eradication of S. aureus started with 64 µg/mL of Lin, 127I-Lin and 131I-Lin, and OD630 was 0.507±0.0.092, 0.589±0.058 and 0.266±0.047, respectively. The media control of biofilm producing Staphylococcus was 1.675±0,01 (OD630). 131I and 127I did not have any effects on biofilms. Lin and 127I-Lin were found less effectively than 131I-Lin at killing cells in biofilm and biofilm eradication. Our results demonstrate that the 131I-Lin have potent anti-biofilm activity against S. aureus compare to Lin, 127I-Lin and media control. This is suggested that, 131I may have harmful effect on biofilm structure.

Keywords: iodine-131, linezolid, radiolabeling, slime layer, Staphylococcus

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Authors: Catherine Felce, Lior Pachter

Abstract:

Current methods for building phylogenetic trees from gene expression data consider mean expression levels. With single-cell technologies, we can leverage more information about cell dynamics by considering the entire distribution of gene expression across cells. Using biophysical modeling, we propose a method for constructing phylogenetic trees from scRNA-seq data, building on Felsenstein's method of continuous characters. This method can highlight genes whose level of expression may be unchanged between species, but whose rates of transcription/decay may have evolved over time.

Keywords: phylogenetics, single-cell, biophysical modeling, transcription

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Authors: Malinee Pongsavee

Abstract:

Sodium formate is the chemical substance used for food additive. Catalase is the important antioxidative enzyme in protecting the cell from oxidative damage by reactive oxygen species (ROS). The resultant level of oxidative stress in sodium formatetreated lymphocytes was investigated. The sodium formate concentrations of 0.05, 0.1, 0.2, 0.4 and 0.6 mg/mL were treated in human lymphocytes for 12 hours. After 12 treated hours, catalase activity change was measured in sodium formate-treated lymphocytes. The results showed that the sodium formate concentrations of 0.4 and 0.6 mg/mL significantly decreased catalase activities in lymphocytes (P < 0.05). The change of catalase activity in sodium formate-treated lymphocytes may be the oxidative damage marker for detect sodium formate exposure in human.

Keywords: sodium formate, catalase activity, oxidative damage marker, toxicity

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Authors: A. I. Khalafalla, K. A. Al-Busada, I. M. El-Sabagh

Abstract:

Pox and pox-like diseases of camels are a group of exanthematous skin conditions that have become increasingly important economically. They may be caused by three distinct viruses: camelpox virus (CMPV), camel contagious ecthyma virus (CCEV) and camel papillomavirus (CAPV). These diseases are difficult to differentiate based on clinical presentation in disease outbreaks. Molecular methods such as PCR targeting species-specific genes have been developed and used to identify CMPV and CCEV, but not simultaneously in a single tube. Recently, multiplex PCR has gained reputation as a convenient diagnostic method with cost- and time–saving benefits. In the present communication, we describe the development, optimization and validation a multiplex PCR assays able to detect simultaneously the genome of the three viruses in one single test allowing for rapid and efficient molecular diagnosis. The assay was developed based on the evaluation and combination of published and new primer sets, and was applied to the detection of 110 tissue samples. The method showed high sensitivity, and the specificity was confirmed by PCR-product sequencing. In conclusion, this rapid, sensitive and specific assay is considered a useful method for identifying three important viruses in specimens from camels and as part of a molecular diagnostic regime.

Keywords: multiplex PCR, diagnosis, pox and pox-like diseases, camels

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Authors: Mehrnaz Farzingohar, Mehran Yasemi, Ahmad Savari

Abstract:

The oil products are imported and exported via Rajaee’s tanker terminal. Within loading and discharging in several cases the oil is released into the berths and made oil spills. The spills are distributed within short time and seriously affected Rajaee port’s environment and even extended areas. The trajectory and fate of oil spills investigated by modeling and parted by three risk levels base on the modeling results. First GNOME (General NOAA Operational Modeling Environment) applied to trajectory the liquid oil. Second, ALOHA (Areal Location Of Hazardous Atmosphere) air quality model, is integrated to predict the oil evaporation path within the air. Base on the identified zones the high risk areas are signed by colored dots which their densities calculated and clarified on a map which displayed the harm places. Wind and water circulation moved the pollution to the East of Rajaee Port that accumulated about 12 km of coastline. Approximately 20 km of north east of Qeshm Island shore is covered by the three levels of risky areas. Since the main wind direction is SSW the pollution pushed to the east and the highest risk zones formed on the crests edges hence the low risk appeared on the concavities. This assessment help the management and emergency systems to monitor the exposure places base on the priority factors and find the best approaches to protect the environment.

Keywords: oil spill, modeling, pollution, risk assessment

Procedia PDF Downloads 365