Search results for: functional tolerances

Authors: Aditi Shukla, Ambarish S. Vidyarthi, Subir Samanta

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The worldwide prevalence of H3N2 influenza virus and its increasing resistance to the existing drugs necessitates for the development of an improved/better targeting anti-influenza drug. H3N2 influenza neuraminidase is one of the two membrane-bound proteins belonging to group-2 neuraminidases. It acts as key player involved in viral pathogenicity and hence, is an important target of anti-influenza drugs. Oseltamivir is one of the potent drugs targeting this neuraminidase. In the present work, we have taken subtype N2 neuraminidase as the receptor and probable analogs of oseltamivir as drug molecules to study the protein-drug interaction in anticipation of finding efficient modified candidate compound. Oseltamivir analogs were made by modifying the functional groups using Marvin Sketch software and were docked using Schrodinger-s Glide. Oseltamivir analog 10 was detected to have significant energy value (16% less compared to Oseltamivir) and could be the probable lead molecule. It infers that some of the modified compounds can interact in a novel manner with increased hydrogen bonding at the active site of neuraminidase and it might be better than the original drug. Further work can be carried out such as enzymatic inhibition studies; synthesis and crystallizing the drug-target complex to analyze the interactions biologically.

Keywords: H3N2 Influenza, Neuraminidase, Oseltamiviranalogs, structure based drug designing

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Authors: Yi-Zhong Weng, Chien-Kang Huang, Yu-Feng Huang, Chi-Yuan Yu, Darby Tien-Hao Chang

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Search for a tertiary substructure that geometrically matches the 3D pattern of the binding site of a well-studied protein provides a solution to predict protein functions. In our previous work, a web server has been built to predict protein-ligand binding sites based on automatically extracted templates. However, a drawback of such templates is that the web server was prone to resulting in many false positive matches. In this study, we present a sequence-order constraint to reduce the false positive matches of using automatically extracted templates to predict protein-ligand binding sites. The binding site predictor comprises i) an automatically constructed template library and ii) a local structure alignment algorithm for querying the library. The sequence-order constraint is employed to identify the inconsistency between the local regions of the query protein and the templates. Experimental results reveal that the sequence-order constraint can largely reduce the false positive matches and is effective for template-based binding site prediction.

Keywords: Protein structure, binding site, functional prediction

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Authors: Georgios Linardatos, Miltiadis Zamparas, Vlasoula Bekiari, Georgios Bokias, Georgios Hotos

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Hydrogels are three-dimensional, hydrophilic, polymeric networks composed of homopolymers or copolymers and are insoluble in water due to the presence of chemical or physical cross-links. When hydrogels come in contact with aqueous solutions, they can effectively sorb and retain the dissolved substances, depending on the nature of the monomeric units comprising the hydrogel. For this reason, hydrogels have been proposed in several studies as water purification agents. At the present work anionic hydrogels bearing negatively charged –COO- groups were prepared and investigated. These gels are based on sodium acrylate (ANa), either homopolymerized (poly(sodiumacrylate), PANa) or copolymerized (P(DMAM-co-ANa)) with N,N Dimethylacrylamide (DMAM). The hydrogels were used to extract some model organic dyes from water. It is found that cationic dyes are strongly sorbed and retained by the hydrogels, while sorption of anionic dyes was negligible. In all cases it was found that both maximum sorption capacity and equilibrium binding constant varied from one dye to the other depending on the chemical structure of the dye, the presence of functional chemical groups and the hydrophobic-hydrophilic balance. Finally, the nonionic hydrogel of the homopolymer poly(N,Ndimethylacrylamide), PDMAM, was also used for reasons of comparison.

Keywords: Anionic organic hydrogels, sorption, organic dyes, water purification agents.

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Authors: Tariq Aljuneidi, Akif Asil Bulgak

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An efficient remanufacturing network lead to an efficient design of sustainable manufacturing enterprise. In remanufacturing network, products are collected from the customer zone, disassembled and remanufactured at a suitable remanufacturing facility. In this respect, another issue to consider is how the returned product to be remanufactured, in other words, what is the best layout for such facility. In order to achieve a sustainable manufacturing system, Cellular Manufacturing System (CMS) designs are highly recommended, CMSs combine high throughput rates of line layouts with the flexibility offered by functional layouts (job shop). Introducing the CMS while designing a remanufacturing network will benefit the utilization of such a network. This paper presents and analyzes a comprehensive mathematical model for the design of Dynamic Cellular Remanufacturing Systems (DCRSs). In this paper, the proposed model is the first one to date that considers CMS and remanufacturing system simultaneously. The proposed DCRS model considers several manufacturing attributes such as multi period production planning, dynamic system reconfiguration, duplicate machines, machine capacity, available time for workers, worker assignments, and machine procurement, where the demand is totally satisfied from a returned product. A numerical example is presented to illustrate the proposed model.

Keywords: Cellular Manufacturing System, Remanufacturing, Mathematical Programming, Sustainability.

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Authors: Grace Sahaya Sheba, P. Omegala Priyakumari, M. Gunasekaran

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L-asparagine admixture Paranitrophenol (LAPNP) single crystals were grown successfully by solution method with slow evaporation technique at room temperature. Crystals of size 12mm×5 mm×3mm have been obtained in 15 days. The grown crystals were Brown color and transparent. The solubility of the grown samples has been found out at various temperatures. The lattice parameters of the grown crystals were determined by X-ray diffraction technique. The reflection planes of the sample were confirmed by the powder X-ray diffraction study and diffraction peaks were indexed. Fourier transform infrared (FTIR) studies were used to confirm the presence of various functional groups in the crystals. UV–visible absorption spectrum was recorded to study the optical transparency of grown crystal. The nonlinear optical (NLO) property of the grown crystal was confirmed by Kurtz–Perry powder technique and a study of its second harmonic generation efficiency in comparison with potassium dihydrogen phosphate (KDP) has been made. The mechanical strength of the crystal was estimated by Vickers hardness test. The grown crystals were subjected to thermo gravimetric and differential thermal analysis (TG/DTA). The dielectric behavior of the sample was also studied

Keywords: Characterization, Microhardnes, Non-linear optical materials, Solution growth, Spectroscopy, XRD.

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Authors: Abada Ahmed, Hiadsi Said, Ouahrani Tarik, Amrani Bouhalouane, Amara Kadda

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Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of full Heusler alloys Co2ZrGe and Co2NbB. These compounds are predicted to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000
B per formula unit, well consistent with the Slater-Pauling rule. Calculations show that both the alloys have an indirect band gaps, in the minority-spin channel of density of states (DOS), with values of 0.58 eV and 0.47 eV for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half-metallicity is found to be relatively robust against volume changes. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronic field.

Keywords: Electronic properties, full Heusler alloys, halfmetallic ferromagnets, magnetic properties.

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Authors: Jinliang Yuan, Jong-Sung Yu, Bengt Sundén

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A computational fluid dynamics (CFD) model is developed for rechargeable non-aqueous electrolyte lithium-air batteries with a partial opening for oxygen supply to the cathode. Multi-phase transport phenomena occurred in the battery are considered, including dissolved lithium ions and oxygen gas in the liquid electrolyte, solid-phase electron transfer in the porous functional materials and liquid-phase charge transport in the electrolyte. These transport processes are coupled with the electrochemical reactions at the active surfaces, and effects of discharge reaction-generated solid Li2O2 on the transport properties and the electrochemical reaction rate are evaluated and implemented in the model. The predicted results are discussed and analyzed in terms of the spatial and transient distribution of various parameters, such as local oxygen concentration, reaction rate, variable solid Li2O2 volume fraction and porosity, as well as the effective diffusion coefficients. It is found that the effect of the solid Li2O2 product deposited at the solid active surfaces is significant on the transport phenomena and the overall battery performance.

Keywords: Computational Fluid Dynamics (CFD), Modeling, Multi-phase, Transport Phenomena, Lithium-air battery.

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Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

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The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.

Keywords: Seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation.

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Authors: Theodore N.S. Karfakis, Anna Andrade, Carolina Volkmer-Castilho, Dennis R. Valle, Eric Arets, Paul van Gardingen

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The aim of the work presented here was to either use existing forest dynamic simulation models or calibrate a new one both within the SYMFOR framework with the purpose of examining changes in stand level basal area and functional composition in response to selective logging considering trees > 10 cm d.b.h for two areas of undisturbed Amazonian non flooded tropical forest in Brazil and one in Peru. Model biological realism was evaluated for forest in the undisturbed and selectively logged state and it was concluded that forest dynamics were realistically represented. Results of the logging simulation experiments showed that in relation to undisturbed forest simulation subject to no form of harvesting intervention there was a significant amount of change over a 90 year simulation period that was positively proportional to the intensity of logging. Areas which had in the dynamic equilibrium of undisturbed forest a greater proportion of a specific ecological guild of trees known as the light hardwoods (LHW’s) seemed to respond more favorably in terms of less deviation but only within a specific range of baseline forest composition beyond which compositional diversity became more important. These finds are in line partially with practical management experience and partiality basic systematics theory respectively.

Keywords: Amazonbasin, ecological species guild, selective logging, simulation modeling.

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Authors: M. Pandi, K. Premalatha

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The DNA microarray technology concurrently monitors the expression levels of thousands of genes during significant biological processes and across the related samples. The better understanding of functional genomics is obtained by extracting the patterns hidden in gene expression data. It is handled by clustering which reveals natural structures and identify interesting patterns in the underlying data. In the proposed work clustering gene expression data is done through an Advanced Nelder Mead (ANM) algorithm. Nelder Mead (NM) method is a method designed for optimization process. In Nelder Mead method, the vertices of a triangle are considered as the solutions. Many operations are performed on this triangle to obtain a better result. In the proposed work, the operations like reflection and expansion is eliminated and a new operation called spread-out is introduced. The spread-out operation will increase the global search area and thus provides a better result on optimization. The spread-out operation will give three points and the best among these three points will be used to replace the worst point. The experiment results are analyzed with optimization benchmark test functions and gene expression benchmark datasets. The results show that ANM outperforms NM in both benchmarks.

Keywords: Spread out, simplex, multi-minima, fitness function, optimization, search area, monocyte, solution, genomes.

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Authors: Shilpesh R. Rajpurohit, Harshit K. Dave

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Fused deposition modeling (FDM) gains popularity in recent times, due to its capability to create prototype as well as functional end use product directly from CAD file. Parts fabricated using FDM process have mechanical properties comparable with those of injection-molded parts. However, performance of the FDM part is severally affected by the poor mechanical properties of the part due to nature of layered structure of printed part. Mechanical properties of the part can be improved by proper selection of process variables. In the present study, a comparative study between unidirectional and bidirectional raster angle has been carried out at a combination of different layer height and raster width. Unidirectional raster angle varied at five different levels, and bidirectional raster angle has been varied at three different levels. Fabrication of tensile specimen and tensile testing of specimen has been conducted according to ASTM D638 standard. From the results, it can be observed that higher tensile strength has been obtained at 0° raster angle followed by 45°/45° raster angle, while lower tensile strength has been obtained at 90° raster angle. Analysis of fractured surface revealed that failure takes place along with raster deposition direction for unidirectional and zigzag failure can be observed for bidirectional raster angle.

Keywords: Additive manufacturing, fused deposition modeling, raster angle, tensile strength.

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Authors: Luís Antonio de Almeida Rodriguez, José Maria Parente de Oliveira, Ednelson Oliveira

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In the last two decades, the world’s aviation authorities have made several attempts to create consensus about a global and accepted approach for applying semantics to web services registry descriptions. This problem has led communities to face a fat and disorganized infrastructure to describe aeronautical web services. It is usual for developers to implement ad-hoc connections among consumers and providers and manually create non-standardized service compositions, which need some particular approach to compose and semantically discover a desired web service. Current practices are not precise and tend to focus on lightweight specifications of some parts of the OWL-S and embed them into syntactic descriptions (SOAP artifacts and OWL language). It is necessary to have the ability to manage the use of both technologies. This paper presents an implementation of the ontology OWL-S that describes a Brazilian Aeronautical Web Service Registry, which makes it able to publish, advertise, make multi-criteria semantic discovery aligned with the ideas of the System Wide Information Management (SWIM) Program, and invoke web services within the Air Traffic Management context. The proposal’s best finding is a generic approach to describe semantic web services. The paper also presents a set of functional requirements to guide the ontology development and to compare them to the results to validate the implementation of the OWL-S Ontology.

Keywords: Aeronautical Web Services, OWL-S, Semantic Web Services Discovery, Ontologies.

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Authors: Srinivasan Chandrasekaran, R. Nagavinothini

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Offshore platforms for ultra-deep waters are form-dominant by design; hybrid systems with large flexibility in horizontal plane and high rigidity in vertical plane are preferred due to functional complexities. Offshore triceratops is relatively a new-generation offshore platform, whose deck is partially isolated from the supporting buoyant legs by ball joints. They allow transfer of partial displacements of buoyant legs to the deck but restrain transfer of rotational response. Buoyant legs are in turn taut-moored to the sea bed using pre-tension tethers. Present study will discuss detailed dynamic analysis and preliminary design of the chosen geometric, which is necessary as a proof of validation for such design applications. A detailed numeric analysis of triceratops at 2400 m water depth under random waves is presented. Preliminary design confirms member-level design requirements under various modes of failure. Tether configuration, proposed in the study confirms no pull-out of tethers as stress variation is comparatively lesser than the yield value. Presented study shall aid offshore engineers and contractors to understand suitability of triceratops, in terms of design and dynamic response behaviour.

Keywords: Buoyant legs, dynamic analysis, offshore structures, preliminary design, random waves, triceratops.

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Authors: Georgi Yordanov Georgiev, Michael Daly, Erin Gombos, Amrit Vinod, Gajinder Hoonjan

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Measures of complexity and entropy have not converged to a single quantitative description of levels of organization of complex systems. The need for such a measure is increasingly necessary in all disciplines studying complex systems. To address this problem, starting from the most fundamental principle in Physics, here a new measure for quantity of organization and rate of self-organization in complex systems based on the principle of least (stationary) action is applied to a model system - the central processing unit (CPU) of computers. The quantity of organization for several generations of CPUs shows a double exponential rate of change of organization with time. The exact functional dependence has a fine, S-shaped structure, revealing some of the mechanisms of self-organization. The principle of least action helps to explain the mechanism of increase of organization through quantity accumulation and constraint and curvature minimization with an attractor, the least average sum of actions of all elements and for all motions. This approach can help describe, quantify, measure, manage, design and predict future behavior of complex systems to achieve the highest rates of self organization to improve their quality. It can be applied to other complex systems from Physics, Chemistry, Biology, Ecology, Economics, Cities, network theory and others where complex systems are present.

Keywords: Organization, self-organization, complex system, complexification, quantitative measure, principle of least action, principle of stationary action, attractor, progressive development, acceleration, stochastic.

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Authors: Wei Zhang, Yao-Yu Li, Yi-Fan Zhu, Qun Li, Wei-Ping Wang

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It-s known that incorporating prior knowledge into support vector regression (SVR) can help to improve the approximation performance. Most of researches are concerned with the incorporation of knowledge in the form of numerical relationships. Little work, however, has been done to incorporate the prior knowledge on the structural relationships among the variables (referred as to Structural Prior Knowledge, SPK). This paper explores the incorporation of SPK in SVR by constructing appropriate admissible support vector kernel (SV kernel) based on the properties of reproducing kernel (R.K). Three-levels specifications of SPK are studied with the corresponding sub-levels of prior knowledge that can be considered for the method. These include Hierarchical SPK (HSPK), Interactional SPK (ISPK) consisting of independence, global and local interaction, Functional SPK (FSPK) composed of exterior-FSPK and interior-FSPK. A convenient tool for describing the SPK, namely Description Matrix of SPK is introduced. Subsequently, a new SVR, namely Motivated Support Vector Regression (MSVR) whose structure is motivated in part by SPK, is proposed. Synthetic examples show that it is possible to incorporate a wide variety of SPK and helpful to improve the approximation performance in complex cases. The benefits of MSVR are finally shown on a real-life military application, Air-toground battle simulation, which shows great potential for MSVR to the complex military applications.

Keywords: admissible support vector kernel, reproducing kernel, structural prior knowledge, motivated support vector regression

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Authors: Wei Zhang, Yao-Yu Li, Yi-Fan Zhu, Qun Li, Wei-Ping Wang

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It-s known that incorporating prior knowledge into support vector regression (SVR) can help to improve the approximation performance. Most of researches are concerned with the incorporation of knowledge in form of numerical relationships. Little work, however, has been done to incorporate the prior knowledge on the structural relationships among the variables (referred as to Structural Prior Knowledge, SPK). This paper explores the incorporation of SPK in SVR by constructing appropriate admissible support vector kernel (SV kernel) based on the properties of reproducing kernel (R.K). Three-levels specifications of SPK are studies with the corresponding sub-levels of prior knowledge that can be considered for the method. These include Hierarchical SPK (HSPK), Interactional SPK (ISPK) consisting of independence, global and local interaction, Functional SPK (FSPK) composed of exterior-FSPK and interior-FSPK. A convenient tool for describing the SPK, namely Description Matrix of SPK is introduced. Subsequently, a new SVR, namely Motivated Support Vector Regression (MSVR) whose structure is motivated in part by SPK, is proposed. Synthetic examples show that it is possible to incorporate a wide variety of SPK and helpful to improve the approximation performance in complex cases. The benefits of MSVR are finally shown on a real-life military application, Air-toground battle simulation, which shows great potential for MSVR to the complex military applications.

Keywords: admissible support vector kernel, reproducing kernel, structural prior knowledge, motivated support vector regression

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Authors: Andreas Hammer

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Six peculiar architecture designs from the Frankfurt University will be discussed within this paper and their future potential of the adaptable and solar thin-film sheets implemented facades will be shown acting and reacting on climate/solar changes of their specific sites. The different aspects, as well as limitations with regard to technical and functional restrictions, will be named.  The design process for a “multi-purpose building”, a “high-rise building refurbishment” and a “biker’s lodge” on the river Rheine valley, has been critically outlined and developed step by step from an international studentship towards an overall energy strategy, that firstly had to push the design to a plus-energy building and secondly had to incorporate bionic aspects into the building skins design. Both main parameters needed to be reviewed and refined during the whole design process. Various basic bionic approaches have been given [e.g. solar ivy ^TM, flectofin ^TM or hygroskin ^TM, which were to experiment with, regarding the use of bendable photovoltaic thin film elements being parts of a hybrid, kinetic façade system.

Keywords: Energy-strategy, photovoltaic in building skins, bionic and bioclimatic design, plus-energy-buildings, solar gain, the harvesting façade, sustainable building concept, high-efficiency building skin, climate adaptive Building Shells (CABS).

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Authors: A. A. Ladele, N. T. Meludu, O. Ezekiel, T. F. Olaoye, O. M. Okanlawon

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Value addition to agricultural produce is of possible potential in reducing poverty, improving food security and malnutrition, therefore the need to develop small and microenterprises of sweet potato production. A study was carried out in Nigeria to determine the acceptability of blends sweet potato (Ipomea batatas) and commodities yellow maize (Zea mays), millet (Pennisetum glaucum), soybean (Glycine max), bambara groundnut (Vigna subterranean), guinea corn (Sorghum vulgare), wheat (Triticum aestivum), and roselle (Hibiscus sabdariffa) through sensory evaluation. Sweet potato (Ipomea batatas) roots were processed using two methods: oven and sun drying. The blends were also assessed in terms of functional, chemical and color properties. Most acceptable blends include BAW (80:20 of sweet potato/wheat), BBC (80:20 of sweet potato/guinea corn), AAB (60:40 of sweet potato/guinea corn), YTE (100% soybean), TYG (100% sweet potato), KTN (100% wheat flour), XGP (80:20 of sweet potato/soybean), XAX (60:40 of sweet potato/wheat), LSS (100% Roselle), CHK (100% Guinea corn), and ABC (60:40% of sweet potato/ yellow maize). In addition, carried out chemical analysis revealed that sweet potato has high percentage of vitamins A and C, potassium (K), manganese (Mn), calcium (Ca), magnesium (Mg) and iron (Fe) and fibre content. There is also an increase of vitamin A and Iron in the blended products.

Keywords: Blends, diversification, sensory evaluation, sweet potato, utilization.

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Authors: Kevin T. O'Toole, Mark M. McGrath

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The psychological and physical trauma associated with the loss of a human limb can severely impact on the quality of life of an amputee rendering even the most basic of tasks very difficult. A prosthetic device can be of great benefit to the amputee in the performance of everyday human tasks. This paper outlines a proposed mechanical design of a 12 degree-of-freedom SMA actuated artificial hand. It is proposed that the SMA wires be embedded intrinsically within the hand structure which will allow for significant flexibility for use either as a prosthetic hand solution, or as part of a complete lower arm prosthetic solution. A modular approach is taken in the design facilitating ease of manufacture and assembly, and more importantly, also allows the end user to easily replace SMA wires in the event of failure. A biomimetric approach has been taken during the design process meaning that the artificial hand should replicate that of a human hand as far as is possible with due regard to functional requirements. The proposed design has been exposed to appropriate loading through the use of finite element analysis (FEA) to ensure that it is structurally sound. Theoretical analysis of the mechanical framework was also carried out to establish the limits of the angular displacement and velocity of the finger tip as well finger tip force generation. A combination of various polymers and Titanium, which are suitably lightweight, are proposed for the manufacture of the design.

Keywords: Hand prosthesis, mechanical design, shape memory alloys, wire bundle actuation.

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Authors: Juliana da Silva Cardoso, Cláudia Correia, Rita Gomes, Carolina Fraga, Inês Cascais, Sara Monteiro, Beatriz Teixeira, Sandra Ribeiro, Carolina Andrade, Cláudia Oliveira, Diana Gonzaga, Catarina Prior, Inês Vaz Matos

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The average daily screen time (ST) has been increasing in children, even at young ages. This seems to be associated with a higher incidence of neurodevelopmental disorders, and as the time of exposure increases, the greater is the functional impact. This study aims to compare the daily ST of toddlers and preschoolers previously and during the COVID-19 pandemic. A questionnaire was applied by telephone to parents/caregivers of children between 1 and 5 years old, followed up at four primary care units belonging to the Group of Primary Health Care Centers of Western Porto, Portugal. A total of 520 children were included: 52.9% male, mean age 39.4 ± 13.9 months. The mean age of first exposure to screens was 13.9 ± 8.0 months, and most of the children were exposed to more than one screen daily. Considering the WHO recommendations, before the COVID-19 pandemic, 385 (74.0%) and 408 (78.5%) children had excessive ST during the week and the weekend, respectively; during the lockdown, these values increased to 495 (95.2%) and 482 (92.7%). Maternal education and both the child's median age and the median age of first exposure to screens had a statistically significant association with excessive ST, with OR 0.2 (p = 0.03, CI 95% 0.07-0.86), OR 1.1 (p = 0.01, 95% CI 1.05-1.14) and OR 0.9 (p = 0.05, 95% CI 0. 87-0.98), respectively. Most children in this sample had a higher than recommended ST, which increased with the onset of the COVID-19 pandemic. These results are worrisome and point to the need for urgent intervention.

Keywords: COVID-19 pandemic, preschoolers, screen time, toddlers

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Authors: Marley Rosa Luciano, Rodney Rezende Saldanha

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The race for electrification and the need for innovation to attract customers has led the automotive industry to do something different with vehicles. New emissions control challenges and efficient technological availability are the pillars of creation. The growing demand to upgrade industrial manufacturing systems creates actions that directly impact vehicle production. With this comes the search for new prototyping methods and virtual tools for component testing and validation, and vehicle systems have established themselves. The demand for Electronic Control Units (ECU) is increasing due to the availability of intelligence and safety in today's vehicles, directly affecting their development, performance, and functional testing. In order to keep up with global changes, the automotive industry uses different virtual environments to produce, verify and validate their vehicles and test prototypes used during development. Therefore, in this paper, integration and validation were performed using the Hardware in the Loop (HIL) test platform, focusing on the ECU Body Control Module (BCM). Then, a brief commentary reviews other test medium platforms, such as the Plywood Buck (PWB), and examines the reliability, flexibility, installation time, and cost of the three test platforms, software in the loop (SIL), Model in the loop (MIL), and HIL, to review their benefits, challenges, and issues in use and information to optimize the use of each platform and test medium.

Keywords: Automotive, Electronic Central Unit, xIL, Hardware in the loop.

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Authors: Rana Bazaid, Debajyoti Pati

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Purpose: The aim of this research is to explore and discuss innovation-workspaces, and how the design of the workspace has the potential to boost the work process and encourage employees’ satisfaction, leading to inventive and creative results. Background: The relationship between the workers and the work environment has a strong potential to enhance work outcomes when optimized for work goals. Innovation-work environment can benefit employees’ satisfaction, health, and performance. To understand this complex relationship, this research explores innovation-work environments. Methods: A review of 26 peer-reviewed articles, seven books, and 23 companies’ websites was conducted; in addition, five case studies were analyzed to deduce appropriate examples for the study. Results: The research found all successful five innovation environments focused on two aspects: first, workers’ satisfaction and comfort, which includes a focus on physical, functional, and psychological comfort; second aspect, all five centers were diverse work environments that addressed workers’ needs, design for individuals and teamwork, design for workers’ freedom, and design for increasing interaction. Conclusion: understanding individuals' needs and creating work environments that enhance interaction between workers and with the space are key aspects of successful innovation-work environments.

Keywords: Innovation-workspace, productivity, work environment, workers’ satisfaction.

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Authors: S. K. Bhullar, J. Ko, F. Ahmed, M. B. G. Jun

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The negative Poisson’s ratios can be described in terms of models based on the geometry of the system and the way this geometry changes due to applied loads. As the Poisson’s ratio does not depend on scale hence deformation can take place at the nano to macro level the only requirement is the right combination of the geometry. Our thrust in this paper is to combine our knowledge of tailored enhanced mechanical properties of the materials having negative Poisson’s ratio with the micromachining and electrospining technology to develop a novel stent carrying a drug delivery system. Therefore, the objective of this paper includes (i) fabrication of a micromachined metal sheet tailored with structure having negative Poisson’s ratio through rotating solid squares geometry using femtosecond laser ablation; (ii) rolling fabricated structure and welding to make a tubular structure (iii) wrapping it with nanofibers of biocompatible polymer PCL (polycaprolactone) for drug delivery (iv) analysis of the functional and mechanical performance of fabricated structure analytically and experimentally. Further, as the applications concerned, tubular structures have potential in biomedical for example hollow tubes called stents are placed inside to provide mechanical support to a damaged artery or diseased region and to open a blocked esophagus thus allowing feeding capacity and improving quality of life.

Keywords: Micromachining, electrospining, auxetic materials, enhanced mechanical properties.

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Authors: Pelin Demirçivi, Gülhayat Nasün-Saygılı

Abstract:

Boron minerals are very useful for various industrial activities, such as glass industry and detergent industry, due to its mechanical and chemical properties. During the production of boron compounds, many of these are introduced into the environment in the form of waste. Boron is also an important micro nutrient for the plants to vegetate but if it exists in high concentrations, it could have toxic effects. The maximum boron level in drinking water for human health is given as 0.3 mg/L in World Health Organization (WHO) standards. The toxic effects of boron should be noted especially for dry regions, thus, in recent years, increasing attention has been paid to remove the boron from waste waters. In this study, boron removal is implemented by ion exchange process using Amberlite IRA-743 resin. Amberlite IRA-743 resin is a boron specific resin and it belongs to the polymerizate sorbent group within the aminopolyol functional group. Batch studies were performed to investigate the effects of various experimental parameters, such as adsorbent dose, initial concentration and pH, on the removal of boron. It is found that, when the adsorbent dose increases removal of boron from the liquid phase increases. However, an increase in the initial concentration decreases the removal of boron. The effective pH values for removal of boron are determined between 8.5 and 9. Equilibrium isotherms were also analyzed by Langmuir and Freundlich isotherm models. The Langmuir isotherm is obeyed better than the Freundlich isotherm.

Keywords: Amberlite resin, boron removal, ion exchange, isotherm models.

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Authors: Shih-Yi Chao

Abstract:

The similarity comparison of RNA secondary structures is important in studying the functions of RNAs. In recent years, most existing tools represent the secondary structures by tree-based presentation and calculate the similarity by tree alignment distance. Different to previous approaches, we propose a new method based on maximum clique detection algorithm to extract the maximum common structural elements in compared RNA secondary structures. A new graph-based similarity measurement and maximum common subgraph detection procedures for comparing purely RNA secondary structures is introduced. Given two RNA secondary structures, the proposed algorithm consists of a process to determine the score of the structural similarity, followed by comparing vertices labelling, the labelled edges and the exact degree of each vertex. The proposed algorithm also consists of a process to extract the common structural elements between compared secondary structures based on a proposed maximum clique detection of the problem. This graph-based model also can work with NC-IUB code to perform the pattern-based searching. Therefore, it can be used to identify functional RNA motifs from database or to extract common substructures between complex RNA secondary structures. We have proved the performance of this proposed algorithm by experimental results. It provides a new idea of comparing RNA secondary structures. This tool is helpful to those who are interested in structural bioinformatics.

Keywords: Clique detection, labeled vertices, RNA secondary structures, subgraph, similarity.

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Authors: Ibrahim A. Alkali

Abstract:

There is no reservation on the outstanding contribution of patient families in restoration of hospitalised patients, hence their consideration as essential component of hospital ward regimen. The psychological and emotional support a patient requires has been found to be solely provided by the patient’s family. However, consideration of their presence as one of the major functional requirements of an inpatient setting design have always been a source of disquiet, especially in developing countries where policies, norms and protocols of healthcare administration have no consideration for the patients’ family. This have been a major challenge to the hospital ward facilities, a concern for the hospital administration and patient management. The study therefore is aimed at obtaining a consensus opinion on the best approach for family integration in the design of an inpatient setting.  A one day visioning charrette involving Architects, Nurses, Medical Doctors, Healthcare assistants and representatives from the Patient families was conducted with the aim of arriving at a consensus opinion on practical design approach for sustainable family integration. Patient’s family are found to be decisive character of hospital ward regimen that cannot be undermined. However, several challenges that impede family integration were identified and subsequently a recommendation for an ideal approach. This will serve as a guide to both architects and hospital management in implementing much desired Patient and Family Centred Care.

Keywords: Caregiving, Inpatient setting, Integration, Patient Families.

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Authors: Nuridayanti Che Khalib, Kaliyaperumal Thanigaimani, Suhana Arshad, Ibrahim Abdul Razak

Abstract:

The 1:1 cocrystal of 2-amino-4-chloro-6- methylpyrimidine (2A4C6MP) with 4-methylbenzoic acid (4MBA) (I) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic C2/c space group, Z = 8, and a = 28.431 (2) Å, b = 7.3098 (5) Å, c = 14.2622 (10) Å and β = 109.618 (3)°. The presence of unionized –COOH functional group in cocrystal I was identified both by spectral methods (1H and 13C NMR, FTIR) and X-ray diffraction structural analysis. The 2A4C6MP molecule interact with the carboxylic group of the respective 4MBA molecule through N—H⋯O and O—H⋯N hydrogen bonds, forming a cyclic hydrogen–bonded motif R2 2(8). The crystal structure was stabilized by Npyrimidine—H⋯O=C and C=O—H⋯Npyrimidine types hydrogen bonding interactions. Theoretical investigations have been computed by HF and density function (B3LYP) method with 6–311+G (d,p)basis set. The vibrational frequencies together with 1H and 13C NMR chemical shifts have been calculated on the fully optimized geometry of cocrystal I. Theoretical calculations are in good agreement with the experimental results. Solvent–free formation of this cocrystal I is confirmed by powder X-ray diffraction analysis.

Keywords: Supramolecular Cocrystal, 2-amino-4-chloro-6- methylpyrimidine, Hartree-Fock and DFT Studies, Spectroscopic Analysis.

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Authors: I. Boroňová, J. Bernasovská, J. Kmec, E. Petrejčíková

Abstract:

Dilated cardiomyopathy (DCM) is a severe cardiovascular disorder characterized by progressive systolic dysfunction due to cardiac chamber dilatation and inefficient myocardial contractility often leading to chronic heart failure. Recently, a genome-wide association studies (GWASs) on DCM indicate that the ZBTB17 gene rs10927875 single nucleotide polymorphism is associated with DCM. The aim of the study was to identify the distribution of ZBTB17 gene rs10927875 polymorphism in 50 Slovak patients with DCM and 80 healthy control subjects using the Custom Taqman®SNP Genotyping assays. Risk factors detected at baseline in each group included age, sex, body mass index, smoking status, diabetes and blood pressure. The mean age of patients with DCM was 52.9±6.3 years; the mean age of individuals in control group was 50.3±8.9 years. The distribution of investigated genotypes of rs10927875 polymorphism within ZBTB17 gene in the cohort of Slovak patients with DCM was as follows: CC (38.8%), CT (55.1%), TT (6.1%), in controls: CC (43.8%), CT (51.2%), TT (5.0%). The risk allele T was more common among the patients with dilated cardiomyopathy than in normal controls (33.7% versus 30.6%). The differences in genotype or allele frequencies of ZBTB17 gene rs10927875 polymorphism were not statistically significant (p=0.6908; p=0.6098). The results of this study suggest that ZBTB17 gene rs10927875 polymorphism may be a risk factor for susceptibility to DCM in Slovak patients with DCM. Studies of numerous files and additional functional investigations are needed to fully understand the roles of genetic associations.

Keywords: Dilated cardiomyopathy, SNP polymorphism, ZBTB17 gene.

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Authors: Shin-Jer Yang, Kai-Tai Yang

Abstract:

In response to a changing world and the fast growth of the Internet, more and more enterprises are replacing web-based services with cloud-based ones. Multi-tenancy technology is becoming more important especially with Software as a Service (SaaS). This in turn leads to a greater focus on the application of Identity and Access Management (IAM). Conventional Near-Field Communication (NFC) based verification relies on a computer browser and a card reader to access an NFC tag. This type of verification does not support mobile device login and user-based access management functions. This study designs an NFC-based third-party cloud identity and access management scheme (NFC-IAM) addressing this shortcoming. Data from simulation tests analyzed with Key Performance Indicators (KPIs) suggest that the NFC-IAM not only takes less time in identity identification but also cuts time by 80% in terms of two-factor authentication and improves verification accuracy to 99.9% or better. In functional performance analyses, NFC-IAM performed better in salability and portability. The NFC-IAM App (Application Software) and back-end system to be developed and deployed in mobile device are to support IAM features and also offers users a more user-friendly experience and stronger security protection. In the future, our NFC-IAM can be employed to different environments including identification for mobile payment systems, permission management for remote equipment monitoring, among other applications.

Keywords: Cloud service, multi-tenancy, NFC, IAM, mobile device.

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Authors: Waranya Pongpaiboon, Warangkana Srichamnong, Supat Chaiyakul

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Enzymatic modification of rice flour can produce highly functional derivatives use in food industries. This study aimed to evaluate the physical properties and resistant starch content of rice flour residues hydrolyzed by α-amylase. Rice flour hydrolyzed by α-amylase (60 and 300 u/g) for 1, 24 and 48 hours were investigated. Increasing enzyme concentration and hydrolysis time resulted in decreased rice flour residue’s lightness (L*) but increased redness (a*) and yellowness (b*) of rice flour residues. The resistant starch content and peak viscosity increased when hydrolysis time increased. Pasting temperature, trough viscosity, breakdown, final viscosity, setback and peak time of the hydrolyzed flours were not significantly different (p>0.05). The morphology of native flour was smooth without observable pores and polygonal with sharp angles and edges. However, after hydrolysis, granules with a slightly rough and porous surface were observed and a rough and porous surface was increased with increasing hydrolyzed time. The X-ray diffraction patterns of native flour showed A-type configuration, which hydrolyzed flour showed almost 0% crystallinity indicated that both amorphous and crystalline structures of starch were simultaneously hydrolyzed by α-amylase.

Keywords: α-Amylase, Enzymatic hydrolysis, Pasting properties, Resistant starch

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