Search results for: in silico laboratory

Authors: Soujanya Pasumarthi

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Inverse docking is a relatively new technique that has been used to identify potential receptor targets of small molecules. Our docking software package MDock is well suited for such an application as it is both computationally efficient, yet simultaneously shows adequate results in binding affinity predictions and enrichment tests. As a validation study, we present the first stage results of an inverse-docking study which seeks to identify potential direct targets of PRIMA-1. PRIMA-1 is well known for its ability to restore mutant p53's tumor suppressor function, leading to apoptosis in several types of cancer cells. For this reason, we believe that potential direct targets of PRIMA-1 identified in silico should be experimentally screened for their ability to inhibitcancer cell growth. The highest-ranked human protein of our PRIMA-1 docking results is oxidosqualene cyclase (OSC), which is part of the cholesterol synthetic pathway. The results of two followup experiments which treat OSC as a possible anti-cancer target are promising. We show that both PRIMA-1 and Ro 48-8071, a known potent OSC inhibitor, significantly reduce theviability of BT-474 breast cancer cells relative to normal mammary cells. In addition, like PRIMA-1, we find that Ro 48-8071 results in increased binding of mutant p53 to DNA in BT- 474cells (which highly express p53). For the first time, Ro 48-8071 is shown as a potent agent in killing human breast cancer cells. The potential of OSC as a new target for developing anticancer therapies is worth further investigation.

Keywords: inverse docking, in silico screening, protein-ligand interactions, molecular docking

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Authors: Vidit Mohan, Ashwin P. Ramesh, Anirudh Toshniwal

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Alkali-Surfactant-Alternate-Gas(ASAG) injection, a novel EOR process has the potential to improve displacement efficiency over Surfactant-Alternate-Gas(SAG) by addressing the problem of surfactant adsorption by clay minerals in rock matrix. A detailed laboratory investigation on ASAG injection process was carried out with encouraging results. To further enhance recovery over WAG injection process, SAG injection was investigated at laboratory scale. SAG injection yielded marginal incremental displacement efficiency over WAG process. On investigation, it was found that, clay minerals in rock matrix adsorbed the surfactants and were detrimental for SAG process. Hence, ASAG injection was conceptualized using alkali as a clay stabilizer. The experiment of ASAG injection with surfactant concentration of 5000 ppm and alkali concentration of 0.5 weight% yields incremental displacement efficiency of 5.42% over WAG process. The ASAG injection is a new process and has potential to enhance efficiency of WAG/SAG injection process.

Keywords: alkali surfactant alternate gas (ASAG), surfactant alternate gas (SAG), laboratory investigation, EOR process

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Authors: Sarah Taylor, Nor Zarina Zainal Abidin, Mohd Zabri Adil Talib

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Although cybercrime is on the rise, yet many Law Enforcement Agencies in Malaysia faces difficulty in establishing own digital forensics capability and capacity. The main reasons are undoubtedly because of the high cost and difficulty in convincing their management. A survey has been conducted among Malaysia’s Law Enforcement Agencies owning a digital forensics laboratory to understand their history of building digital forensics capacity and capability, the challenges and the impact of having own laboratory to their case investigation. The result of the study shall be used by other Law Enforcement Agencies in justifying to their management to establish own digital forensics capability and capacity.

Keywords: digital forensics, digital forensics capacity and capability, laboratory, law enforcement agency

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Authors: M. Kasusse, M. Rosette, E. Burke, C. Mwangi, R. Batamwita, N. Tumwesigye, S. Aisu

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A cross-sectional survey to ascertain the capacity of laboratory persons in using ICTs was conducted in 15 Ugandan districts (July-August 2013). A self-administered questionnaire served as data collection tool, interview guide and observation checklist. 69 questionnaires were filled, 12 interviews conducted, 45 HC observed. SPSS statistics 17.0 and SAS 9.2 software were used for entry and analyses. 69.35% of participants find it difficult to access a computer at work. Of the 30.65% who find it easy to access a computer at work, a significant 21.05% spend 0 hours on a computer daily. 60% of the participants cannot access internet at work. Of the 40% who have internet at work, a significant 20% lack email address but 20% weekly read emails weekly and 48% daily. It is viable/feasible to pilot informatics projects as strategies to build bridges develop skills for e-health landscape in laboratory services with a bigger financial muscle.

Keywords: ICT behavior, clinical laboratory persons, Sub-Saharan Africa, Uganda

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Authors: Ai Chin Wong, Wan Ahmad Jaafar Wan Yahaya, Balakrishnan Muniandy

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This study aims to explore the impact of Virtual Reality (VR) using visual signaling principles in learning about the science laboratory safety guide; this study involves students with different spatial ability. There are two types of science laboratory safety lessons, which are Virtual Reality with Signaling (VRS) and Virtual Reality Non Signaling (VRNS). This research has adopted a 2 x 2 quasi-experimental factorial design. There are two types of variables involved in this research. The two modes of courseware form the independent variables with the spatial ability as the moderator variable. The dependent variable is the students’ performance. This study sample consisted of 141 students. Descriptive and inferential statistics were conducted to analyze the collected data. The major effects and the interaction effects of the independent variables on the independent variable were explored using the Analyses of Covariance (ANCOVA). Based on the findings of this research, the results exhibited low spatial ability students in VRS outperformed their counterparts in VRNS. However, there was no significant difference in students with high spatial ability using VRS and VRNS. Effective learning in students with different spatial ability can be boosted by implementing the Virtual Reality with Signaling (VRS) in the design as well as the development of Virtual Science Laboratory (ViSLab).

Keywords: spatial ability, science laboratory safety, visual signaling principles, virtual reality

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Authors: Ian A. Grout

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In this paper, the design and development of a system to provide hand motion and gesture control of laboratory test equipment is considered and discussed. The Leap Motion controller is used to provide an input to control a laboratory power supply as part of an electronic circuit experiment. By suitable hand motions and gestures, control of the power supply is provided remotely and without the need to physically touch the equipment used. As such, it provides an alternative manner in which to control electronic equipment via a PC and is considered here within the field of human computer interaction (HCI).

Keywords: control, hand gesture, human computer interaction, test equipment

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Authors: Yenni Kurniawati

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Students Prediction Skill in chemistry experiments is an important skill for pre-service chemistry students to stimulate students reflective thinking at each stage of many chemistry experiments, qualitatively and quantitatively. A Virtual Chemistry Laboratory was designed to give students opportunities and times to practicing many kinds of chemistry experiments repeatedly, everywhere and anytime, before they do a real experiment. The Virtual Chemistry Laboratory content was constructed using the Model of Educational Reconstruction and developed to enhance students ability to predicted the experiment results and analyzed the cause of error, calculating the accuracy and precision with carefully in using chemicals. This research showed students changing in making a decision and extremely beware with accuracy, but still had a low concern in precision. It enhancing students level of reflective thinking skill related to their prediction skill 1 until 2 stage in average. Most of them could predict the characteristics of the product in experiment, and even the result will going to be an error. In addition, they take experiments more seriously and curiously about the experiment results. This study recommends for a different subject matter to provide more opportunities for students to learn about other kinds of chemistry experiments design.

Keywords: virtual chemistry laboratory, chemistry experiments, prediction skill, pre-lab experiences

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Authors: Milica Ž. Karadžić, Lidija R. Jevrić, Sanja Podunavac-Kuzmanović, Strahinja Z. Kovačević, Anamarija I. Mandić, Katarina Penov-Gaši, Andrea R. Nikolić, Aleksandar M. Oklješa

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This study considered selection of the in silico molecular descriptors and the models for newly synthesized steroid derivatives description and their characterization using chemometric techniques. Multiple linear regression (MLR) models were established and gave the best molecular descriptors for quantitative structure-retention relationship (QSRR) modeling of the retention of the investigated molecules. MLR models were without multicollinearity among the selected molecular descriptors according to the variance inflation factor (VIF) values. Used molecular descriptors were ranked using generalized pair correlation method (GPCM). In this method, the significant difference between independent variables can be noticed regardless almost equal correlation between dependent variable. Generated MLR models were statistically and cross-validated and the best models were kept. Models were ranked using sum of ranking differences (SRD) method. According to this method, the most consistent QSRR model can be found and similarity or dissimilarity between the models could be noticed. In this study, SRD was performed using average values of experimentally observed data as a golden standard. Chemometric analysis was conducted in order to characterize newly synthesized steroid derivatives for further investigation regarding their potential biological activity and further synthesis. This article is based upon work from COST Action (CM1105), supported by COST (European Cooperation in Science and Technology).

Keywords: generalized pair correlation method, molecular descriptors, regression analysis, steroids, sum of ranking differences

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Authors: Mesbah Khaled, Bouraoui Ouissal, Benkiniouar Rachid, Belkhiri Lotfi

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Alstonia, which are tropical plants with a wide geographical distribution, have been divided into different sections by different authors based on previous studies of several species within the genus. Monachino divides Alstonia into 5 sections, while Pichon divides it into 3 sections. Several plants belonging to this genus, such as Alstonia brassii, have been used in traditional folk medicine to treat ailments such as fever, malaria and dysentery]. Previous studies focusing on the chemical composition of these plants have successfully identified indol alkaloids with cytotoxic, anti-diabetic and anti-inflammatory properties. The newly discovered monomers are structurally similar to the backbones of picralin, affinisin and macrolin. On the other hand, all recently isolated dimeric compounds have a macrolin moiety. In this study, a computational analysis was performed on a series of novel molecules, including both monomeric and dimeric compounds with different structural frameworks. This investigation represents the first computational study of these molecules using an in silico approach incorporating 2D-QSAR data. The analysis involved various computational techniques, including 2D-QSAR modelling, molecular docking studies and subsequent validation by molecular dynamics simulation and assessment of ADMET properties. The chemical composition was identified by 1D and 2D NMR. Eight new alkaloids were isolated, 5 monomers and 3 dimers. In this section, we focus on the biological activity of 4 new alkaloids belonging to two different skeletons, the affinisine skeleton.

Keywords: affinisine, talcarpine, macroline, cytotoxicity, alkaloids

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Authors: O. Giorgishvili

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For calculation of foundations one of the important characteristics is the module of deformation (E0). As we all know, the main goal of calculation of the foundations of buildings on deformation is to arrange the base settling and difference in settlings in such limits that do not cause origination of cracks and changes in design levels that will be dangerous to standard operation in the buildings and their individual structures. As is known from the literature and the practical application, the modulus of deformation is determined by two basic methods: laboratory method, soil test on compression (without the side widening) and soil test in field conditions. As we know, the deformation modulus of soil determined by field method is closer to the actual modulus deformation of soil, but the complexity of the tests to be carried out and the financial concerns did not allow determination of ground deformation modulus by field method. Therefore, we determine the ground modulus of deformation by compression method without side widening. Concerning this, we introduce a new way for determination of ground modulus of deformation by laboratory order that occurs by side widening and more accurately reflects the ground modulus of deformation and more accurately reflects the actual modulus of deformation and closer to the modulus of deformation determined by the field method. In this regard, we bring a new approach on the ground deformation detection laboratory module, which is done by widening sides. The tests and the results showed that the proposed method of ground deformation modulus is closer to the results that are obtained in the field, which reflects the foundation's work in real terms more accurately than the compression of the ground deformation module.

Keywords: build, deformation modulus, foundations, ground, laboratory research

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Authors: Kayondoamunmose Kamafrika

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Experimental based Engineering education approach plays a vital role in the development of student’s deep understanding of both social and physical sciences. Experimental based education approach through laboratory class activities prepare students to meet national demand for high-tech skilled individuals in the government and private sector. However, students across the country are faced with difficulties in classes that involve laboratory activities: poor experimental based exposure in their early development of student’s education-life-cycle, lack of student engagement in scientific method practical thinking approach, lack of communication between students and the instructor during class, a large number of students in one classroom, lack of instruments and improper equipment calibration. The purpose of this paper is to help students develop their own scientific knowledge and understanding, develop their methodologies in the design of experiments, collect and analyze data, write laboratory reports, present and explain their findings. Experimental based laboratory activities allow students to learn with high-level understanding as well as engage in the design processes of constructing knowledge through practical means of doing science. Experimental based education systems approach will act as a catalyst in the development of practical-based-educational methodologies in social and physical science and engineering domain of learning; thereby, converting laboratory classes into pilot industries and students into professional experts in finding a solution for complex problems, research, and development of super high- tech systems.

Keywords: experimental, engineering, innovation, practicability

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Authors: Keyur Raval, Steffen Krohn, Bruno Moerschbacher

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Chitin, the biopolymer of the N-acetylglucosamine, is the most abundant biopolymer on the planet after cellulose. Industrially, chitin is isolated and purified from the shell residues of shrimps. A deacetylated derivative of chitin i.e. chitosan has more market value and applications owing to it solubility and overall cationic charge compared to the parent polymer. This deacetylation on an industrial scale is performed chemically using alkalis like sodium hydroxide. This reaction not only is hazardous to the environment owing to negative impact on the marine ecosystem. A greener option to this process is the enzymatic process. In nature, the naïve chitin is converted to chitosan by chitin deacetylase (CDA). This enzymatic conversion on the industrial scale is however hampered by the crystallinity of chitin. Thus, this enzymatic action requires the substrate i.e. chitin to be soluble which is technically difficult and an energy consuming process. We in this project wanted to address this shortcoming of CDA. In lieu of this, we have modeled a fusion protein with CDA and an auxiliary protein. The main interest being to increase the accessibility of the enzyme towards crystalline chitin. A similar fusion work with chitinases had improved the catalytic ability towards insoluble chitin. In the first step, suitable partners were searched through the protein data bank (PDB) wherein the domain architecture were sought. The next step was to create the models of the fused product using various in silico techniques. The models were created by MODELLER and evaluated for properties such as the energy or the impairment of the binding sites. A fusion PCR has been designed based on the linker sequences generated by MODELLER and would be tested for its activity towards insoluble chitin.

Keywords: chitin deacetylase, modeling, chitin binding domain, chitinases

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Authors: Narjes Ebrahimi, Soheila Alyasin, Navid Nezafat, Hossein Esmailzadeh, Younes Ghasemi, Seyed Hesamodin Nabavizadeh

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Immunotherapy with allergy vaccines is of great importance in allergen-specific immunotherapy. In recent years, B-cell epitope-based vaccines have attracted considerable attention and the prediction of epitopes is crucial to design these types of allergy vaccines. B-cell epitopes might be linear or conformational. The prerequisite for the identification of conformational epitopes is the information about allergens' tertiary structures. Bioinformatics approaches have paved the way towards the design of epitope-based allergy vaccines through the prediction of tertiary structures and epitopes. Mite allergens are one of the major allergy contributors. Several mite allergens can elicit allergic reactions; however, their structures and epitopes are not well established. So, B-cell epitopes of various groups of mite allergens (24 allergens in 6 allergen groups) were predicted in the present work. Tertiary structures of 17 allergens with unknown structure were predicted and refined with RaptorX and GalaxyRefine servers, respectively. The predicted structures were further evaluated by Rampage, ProSA-web, ERRAT and Verify 3D servers. Linear and conformational B-cell epitopes were identified with Ellipro, Bcepred, and DiscoTope 2 servers. To improve the accuracy level, consensus epitopes were selected. Fifty-four conformational and 133 linear consensus epitopes were predicted. Furthermore, overlapping epitopes in each allergen group were defined, following the sequence alignment of the allergens in each group. The predicted epitopes were also compared with the experimentally identified epitopes. The presented results provide valuable information for further studies about allergy vaccine design.

Keywords: B-cell epitope, Immunotherapy, In silico prediction, Mite allergens, Tertiary structure

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Authors: Mustafa Akpolat, Baha Vural Kök

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Using a waste material such as crumb rubber (CR) obtained by waste tires has become an important issue in respect to sustainability. However, the CR modified mixture also requires high manufacture temperature as a polymer modified mixture. For this reason in this study, it is intended to produce a CR modified mixture with warm mix asphalt additives in the same mixture. Asphalt mixtures produced by pure, 10%CR, 10%CR+3% Sasobit and 10%CR+0.7% Evotherm were subjected to aging procedure in the laboratory and the field. The indirect tensile repeated tests were applied to aged and original specimens. It was concluded that the fatigue life of the mixtures increased significantly with the increase of aging time. CR+Sasobit modified mixture aged at the both field and laboratory gave the highest load cycle among the mixtures.

Keywords: crumb rubber, warm mix asphalt, aging, fatigue

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Authors: Sukriti Sabharwal, Sonali Bhattar, Shikhar Saxena

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Introduction: COVID-19 molecular diagnostic laboratory is the cornerstone of the COVID-19 disease diagnosis as the patient’s treatment and management protocol depend on the molecular results. For this purpose, it is extremely important that the laboratory conducting these results adheres to the quality management processes to increase the accuracy and validity of the reports generated. We started our own molecular diagnostic setup at the onset of the pandemic. Therefore, we conducted this study to generate our quality management data to help us in improving on our weak points. Materials and Methods: A total of 14561 samples were evaluated by the retrospective observational method. The quality variables analysed were classified into pre-analytical, analytical, and post-analytical variables, and the results were presented in percentages. Results: Among the pre-analytical variables, sample leaking was the most common cause of the rejection of samples (134/14561, 0.92%), followed by non-generation of SRF ID (76/14561, 0.52%) and non-compliance to triple packaging (44/14561, 0.3%). The other pre-analytical aspects assessed were incomplete patient identification (17/14561, 0.11%), insufficient quantity of samples (12/14561, 0.08%), missing forms/samples (7/14561, 0.04%), samples in the wrong vials/empty VTM tubes (5/14561, 0.03%) and LIMS entry not done (2/14561, 0.01%). We are unable to obtain internal quality control in 0.37% of samples (55/14561). We also experienced two incidences of cross-contamination among the samples resulting in false-positive results. Among the post-analytical factors, a total of 0.07% of samples (11/14561) could not be dispatched within the stipulated time frame. Conclusion: Adherence to quality control processes is foremost for the smooth running of any diagnostic laboratory, especially the ones involved in critical reporting. Not only do the indicators help in keeping in check the laboratory parameters but they also allow comparison with other laboratories.

Keywords: laboratory quality management, COVID-19, molecular diagnostics, healthcare

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Authors: J. Miranda, D. Chavarría-Barrientos, M. Ramírez-Cadena, M. E. Macías, P. Ponce, J. Noguez, R. Pérez-Rodríguez, P. K. Wright, A. Molina

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Higher education methods need to evolve because the new generations of students are learning in different ways. One way is by adopting emergent technologies, new learning methods and promoting the maker movement. As a result, Tecnologico de Monterrey is developing Open Innovation Laboratories as an immediate response to educational challenges of the world. This paper presents an Open Innovation Laboratory for Rapid Realization of Sensing, Smart and Sustainable Products (S³ Products). The Open Innovation Laboratory is composed of a set of specific resources where students and teachers use them to provide solutions to current problems of priority sectors through the development of a new generation of products. This new generation of products considers the concepts Sensing, Smart, and Sustainable. The Open Innovation Laboratory has been implemented in different courses in the context of New Product Development (NPD) and Integrated Manufacturing Systems (IMS) at Tecnologico de Monterrey. The implementation consists of adapting this Open Innovation Laboratory within the course’s syllabus in combination with the implementation of specific methodologies for product development, learning methods (Active Learning and Blended Learning using Massive Open Online Courses MOOCs) and rapid product realization platforms. Using the concepts proposed it is possible to demonstrate that students can propose innovative and sustainable products, and demonstrate how the learning process could be improved using technological resources applied in the higher educational sector. Finally, examples of innovative S³ products developed at Tecnologico de Monterrey are presented.

Keywords: active learning, blended learning, maker movement, new product development, open innovation laboratory

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Authors: Martin Pumera

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Graphene materials are being widely used in electrochemistry due to their versatility and excellent properties as platforms for biosensing. Here we present current trends in the electrochemical biosensing of pesticides and other toxic compounds. We explore two fundamentally different designs, (i) using graphene and other 2-D nanomaterials as an electrochemical platform and (ii) using these nanomaterials in the laboratory on chip design, together with paramagnetic beads. More specifically: (i) We explore graphene as transducer platform with very good conductivity, large surface area, and fast heterogeneous electron transfer for the biosensing. We will present the comparison of these materials and of the immobilization techniques. (ii) We present use of the graphene in the laboratory on chip systems. Laboratory on the chip had a huge advantage due to small footprint, fast analysis times and sample handling. We will show the application of these systems for pesticide detection and detection of other toxic compounds.

Keywords: graphene, 2D nanomaterials, biosensing, chip design

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Authors: Irvan Adhin Cholilie, Susinggih Wijana, Yusron Sugiarto

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The aim of this research is to compare the results of black grass jelly produced using laboratory scale and double scale. In this research, the production from the laboratory scale is using ingredients of 1 kg black grass jelly added with 5 liters of water, while the double scale is using 5 kg black grass jelly and 75 liters of water. The results of organoleptic tests performed by 30 panelists (general) to the sample gels of grass black powder produced from both of laboratory and double scale are not different significantly in color, odor, flavor, and texture. Proximate test results conducted in both of grass black jelly powder produced in laboratory scale and double scale also have no significant differences in all parameters. Grass black jelly powder from double scale contains water, carbohydrate, crude fiber, and yield in the amount of 12,25 %; 43,7 %; 5,89 %; and 16,28 % respectively. The results of the energy efficiency analysis by boiling, draining, evaporation, drying, and milling processes are 85,11 %; 76,97 %; 99,64 %; 99,99% and 99,39% respectively. The utility needs including water needs for each batch amounted 0.1 m3 and cost Rp 220,5 per batch, the electricity needs for each batch is 20.01 kWh and cost Rp 18569.28 per batch, and LPG needs for each batch is 30 kg costed Rp 234,000.00 so that the total cost spent for the process is Rp 252,789.78 .

Keywords: black grass jelly, powder, mass balance, energy balance, cost

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Authors: Esmaeil Ahmadinia, Frank Bullen, Ron Ayers

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Many concerns have been raised in recent years about the adequacy of existing creep test methods for evaluating rut-resistance of asphalt mixes. Many researchers believe the main reason for the creep tests being unable to duplicate field results is related to a lack of a realistic confinement for laboratory specimens. In-situ asphalt under axle loads is surrounded by a mass of asphalt, which provides stress-strain generated confinement. However, most existing creep tests are largely unconfined in their nature. It has been hypothesised that by providing a degree of confinement, representative of field conditions, in a creep test, it could be possible to establish a better correlation between the field and laboratory. In this study, a new methodology is explored where confinement for asphalt specimens is provided. The proposed methodology is founded on the current Australian test method, adapted to provide simulated field conditions through the provision of sample confinement.

Keywords: asphalt mixture, creep test, confinements, permanent deformation

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Authors: Gajanan M. Sonwane

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Nowadays, the entire pharmaceutical industry is facing the challenge of increasing efficiency and innovation. The major hurdles are the growing cost of research and development and a concurrent stagnating number of new chemical entities (NCEs). Hence, the challenge is to select the most druggable targets and to search the equivalent drug-like compounds, which also possess specific pharmacokinetic and toxicological properties that allow them to be developed as drugs. The present research work includes the studies of developing new anticancer heterocycles by using molecular modeling techniques. The heterocycles synthesized through such methodology are much effective as various physicochemical parameters have been already studied and the structure has been optimized for its best fit in the receptor. Hence, on the basis of the literature survey and considering the need to develop newer anticancer agents, new phenazinamine derivatives were designed by subjecting the nucleus to molecular modeling, viz., GQSAR analysis and docking studies. Simultaneously, these designed derivatives were subjected to in silico prediction of biological activity through PASS studies and then in silico toxicity risk assessment studies. In PASS studies, it was found that all the derivatives exhibited a good spectrum of biological activities confirming its anticancer potential. The toxicity risk assessment studies revealed that all the derivatives obey Lipinski’s rule. Amongst these series, compounds 4c, 5b and 6c were found to possess logP and drug-likeness values comparable with the standard Imatinib (used for anticancer activity studies) and also with the standard drug methotrexate (used for antimitotic activity studies). One of the most notable mutations is the threonine to isoleucine mutation at codon 315 (T315I), which is known to be resistant to all currently available TKI. Enzyme assay planned for confirmation of target selective activity.

Keywords: drug design, tyrosine kinases, anticancer, Phenazinamine

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Authors: G. Quiroga-Cubides, A. Díaz, M. Gómez

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The genus Azotobacter has been widely used as bio-fertilizer due to its significant effects on the stimulation and promotion of plant growth in various agricultural species of commercial interest. In order to obtain significantly viable cellular concentration, a scale-up strategy for a liquid fermentation process (SmF) with two strains of A. chroococcum (named Ac1 and Ac10) was validated and adjusted at laboratory and pilot scale. A batch fermentation process under previously defined conditions was carried out on a biorreactor Infors®, model Minifors of 3.5 L, which served as a baseline for this research. For the purpose of increasing process efficiency, the effect of the reduction of stirring speed was evaluated in combination with a fed-batch-type fermentation laboratory scale. To reproduce the efficiency parameters obtained, a scale-up strategy with geometric and fluid dynamic behavior similarities was evaluated. According to the analysis of variance, this scale-up strategy did not have significant effect on cellular concentration and in laboratory and pilot fermentations (Tukey, p > 0.05). Regarding air consumption, fermentation process at pilot scale showed a reduction of 23% versus the baseline. The percentage of reduction related to energy consumption reduction under laboratory and pilot scale conditions was 96.9% compared with baseline.

Keywords: Azotobacter chroococcum, scale-up, liquid fermentation, fed-batch process

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Authors: Umairah Natasya Binti Mohd Omeershffudin, Suresh Kumar

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Klebsiella pneumoniae, a Gram-negative enteric bacterium that causes nosocomial and urinary tract infections. Particular concern is the global emergence of multidrug-resistant (MDR) strains of Klebsiella pneumoniae. Characterization of antibiotic resistance determinants at the genomic level plays a critical role in understanding, and potentially controlling, the spread of multidrug-resistant (MDR) pathogens. In this study, drug-resistant Klebsiella pneumoniae strain 825795-1 was investigated with extensive computational approaches aimed at identifying novel drug targets among hypothetical proteins. We have analyzed 1099 hypothetical proteins available in genome. We have used in-silico genome subtraction methodology to design potential and pathogen-specific drug targets against Klebsiella pneumoniae. We employed bioinformatics tools to subtract the strain-specific paralogous and host-specific homologous sequences from the bacterial proteome. The sorted 645 proteins were further refined to identify the essential genes in the pathogenic bacterium using the database of essential genes (DEG). We found 135 unique essential proteins in the target proteome that could be utilized as novel targets to design newer drugs. Further, we identified 49 cytoplasmic protein as potential drug targets through sub-cellular localization prediction. Further, we investigated these proteins in the DrugBank databases, and 11 of the unique essential proteins showed druggability according to the FDA approved drug bank databases with diverse broad-spectrum property. The results of this study will facilitate discovery of new drugs against Klebsiella pneumoniae.

Keywords: pneumonia, drug target, hypothetical protein, subtractive genomics

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Authors: Abraham Motlhabane

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This research analysed the written views of science education students regarding the teaching of laboratory work using the online mode. The research adopted the qualitative methodology. The qualitative research was aimed at investigating small and distinct groups normally regarded as a single-site study. Qualitative research was used to describe and analyze the phenomena from the student’s perspective. This means the research began with assumptions of the world view that use theoretical lenses of research problems inquiring into the meaning of individual students. The research was conducted with three groups of students studying for Postgraduate Certificate in Education, Bachelor of Education and honors Bachelor of Education respectively. In each of the study programmes, the science education module is compulsory. Five science education students from each study programme were purposively selected to participate in this research. Therefore, 15 students participated in the research. In order to analysis the data, the data were first printed and hard copies were used in the analysis. The data was read several times and key concepts and ideas were highlighted. Themes and patterns were identified to describe the data. Coding as a process of organising and sorting data was used. The findings of the study are very diverse; some students are in favour of online laboratory whereas other students argue that science can only be learnt through hands-on experimentation.

Keywords: online learning, laboratory work, views, perceptions

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Authors: Nordila Ahmad, Thamer Mohammad, Bruce W. Melville, Zuliziana Suif

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Current methods for predicting local scour at wide bridge piers, were developed on the basis of laboratory studies and very limited scour prediction were tested with field data. Laboratory wide pier scour equation from previous findings with field data were presented. A wide range of field data were used and it consists of both live-bed and clear-water scour. A method for assessing the quality of the data was developed and applied to the data set. Three other wide pier-scour equations from the literature were used to compare the performance of each predictive method. The best-performing scour equation were analyzed using statistical analysis. Comparisons of computed and observed scour depths indicate that the equation from the previous publication produced the smallest discrepancy ratio and RMSE value when compared with the large amount of laboratory and field data.

Keywords: field data, local scour, scour equation, wide piers

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Authors: Alloysius C. Ogodo, Ositadinma C. Ugbogu, Uzochukwu G. Ekeleme

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Food poisoning and infection by bacteria are of public health significance to both developing and developed countries. Samples of ogi (akamu) prepared from white and yellow variety of maize sold in Uturu and Okigwe were analyzed together with the laboratory prepared ogi for microbial quality using the standard microbiological methods. The analyses showed that both white and yellow variety had total bacterial counts (cfu/g) of 4.0 ×107 and 3.9 x 107 for the laboratory prepared ogi while the commercial ogi had 5.2 x 107 and 4.9 x107, 4.9 x107 and 4.5 x107, 5.4 x107 and 5.0 x107 for Eke-Okigwe, Up-gate and Nkwo-Achara market respectively. The Staphylococcal counts ranged from 2.0 x 102 to 5.0 x102 and 1.0 x 102 to 4.0 x102 for the white and yellow variety from the different markets while Staphylococcal growth was not recorded on the laboratory prepared ogi. The laboratory prepared ogi had no Coliform growth while the commercially prepared ogi had counts of 0.5 x103 to 1.6 x 103 for white variety and 0.3 x 103 to 1.1 x103 for yellow variety respectively. The Lactic acid bacterial count of 3.5x106 and 3.0x106 was recorded for the laboratory ogi while the commercially prepared ogi ranged from 3.2x106 to 4.2x106 (white variety) and 3.0 x106 to 3.9 x106 (yellow). The presence of bacteria isolates from the commercial and laboratory fermented ogi showed that Lactobacillus sp, Leuconostoc sp and Citrobacter sp were present in all the samples, Micrococcus sp and Klebsiella sp were isolated from Eke-Okigwe and ABSU-up-gate markets varieties respectively, E. coli and Staphylococcus sp were present in Eke-Okigwe and Nkwo-Achara markets while Salmonella sp were isolated from the three markets. Hence, there are chances of contracting food borne diseases from commercially prepared ogi. Therefore, there is the need for sanitary measures in the production of fermented cereals so as to minimize the rate of food borne pathogens during processing and storage.

Keywords: ogi, fermentation, bacterial quality, lactic acid bacteria, maize

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Authors: Anukriti Verma, Bhawna Rathi, Shivani Sharda

Abstract:

Reactive Arthritis (ReA) is a disorder that causes inflammation in joints due to certain infections at distant sites in the body. ReA begins with stiffness, pain, and inflammation in these areas especially the ankles, knees, and hips. It gradually causes several complications such as conjunctivitis in the eyes, skin lesions in hand, feet and nails and ulcers in the mouth. Nowadays the diagnosis of ReA is based upon a differential diagnosis pattern. The parameters for differentiating ReA from other similar disorders include physical examination, history of the patient and a high index of suspicion. There are no standard lab tests or markers available for ReA hence the early diagnosis of ReA becomes difficult and the chronicity of disease increases with time. It is reported that enteric disorders such as Inflammatory Bowel Disease (IBD) that is inflammation in gastrointestinal tract namely Crohn’s Disease (CD) and Ulcerative Colitis (UC) are reported to be linked with ReA. Several microorganisms are found such as Campylobacter, Salmonella, Shigella and Yersinia causing IBD leading to ReA. The aim of our study was to perform the in-silico analysis in order to find interactions between microorganisms and human host causing IBD leading to ReA. A systems biology approach for metabolic network reconstruction and simulation was used to find the essential genes of the reported microorganisms. Interactomics study was used to find the interactions between the pathogen genes and human host. Genes such as nhaA (pathogen), dpyD (human), nagK (human) and kynU (human) were obtained that were analysed further using the functional, pathway and network analysis. These genes can be used as putative drug targets and biomarkers in future for early diagnosis, prevention, and treatment of IBD leading to ReA.

Keywords: drug targets, inflammatory bowel disease, reactive arthritis, systems biology

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Authors: A. Javorova, J. Oravcova, K. Velisek

Abstract:

The article summarizes the experience of technical subjects teaching methodologies using a number of software products to solve specific assigned tasks described in this paper. Task is about the problems of automation and mechanization in the industry. Specifically, it focuses on introducing automation in the wood industry. The article describes the design of the automation process for marking wooden hammers. Similar problems are solved by students in CA laboratory.

Keywords: CA system, education, simulation, subject

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Authors: Blerim Olluri

Abstract:

A forensic science laboratory in Kosovo has never been organized at the level of most modern forensic science laboratories. This was made possible after the war of 1999 with the help and support from the United States. The United States Government/ICITAP provided 9.5 million dollars to support this project, this support have greatly benefitted law enforcement in Kosovo. With the establishment of Operative Procedures of Work and the law for Kosovo Agency of Forensic, the accreditation with ISO/IEC 17025 of the KAF labs it becomes mandatory. Since 2012 Laboratory’s DNA/Serology and Narcotics has begun reviewing and harmonizing their procedures according to ISO/IEC 17025. The focus of this work was to create quality manuals, procedures, work instructions, quality documentation and quality records. Furthermore, during this time is done the validation of work methods from scientific qualified personnel of KAF, without any help from other foreign agencies or accreditation body.In October 2014 we had the first evaluation based on ISO 17025 standards. According to the initial report of this assessment we have non conformity in test and Calibration methods method’s, and accommodation and environmental conditions. We identified several issues that are of extreme importance to KAF. One the most important issue is to create a professional group with experts of KAF, which will work in all the obligations, requested from ISO/IEC 17025. As conclusions that we earn in this path of accreditation, are that laboratory’s need to take corrective action, and all nonconformance’s must be addressed and corrective action taken before accreditation can be granted.

Keywords: accreditation, assessment, narcotics, DNA

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Authors: Amna J. Ghith, Khaled Abu Zid, Khairia Youssef, Nasser Saad

Abstract:

Backgrounds: The multikinase and vascular endothelial growth factor (VEGF) receptor inhibitors interrupt the pathway by which angiogenesis becomes established and promulgated, resulting in the inadequate nourishment of metastatic disease. VEGFR-2 has been the principal target of anti-angiogenic therapies. We disclose the new thieno pyrimidines as inhibitors of VEGFR-2 designed by a molecular modeling approach with increased synergistic activity and decreased side effects. Purpose: 2-substituted thieno pyrimidines are designed and synthesized with anticipated anticancer activity based on its in silico molecular docking study that supports the initial pharmacophoric hypothesis with a same binding mode of interaction at the ATP-binding site of VEGFR-2 (PDB 2QU5) with high docking score. Methods: A series of compounds were designed using discovery studio 4.1/CDOCKER with a rational that mimic the pharmacophoric features present in the reported active compounds that targeted VEGFR-2. An in silico ADMET study was also performed to validate the bioavailability of the newly designed compounds. Results: The Compounds to be synthesized showed interaction energy comparable to or within the range of the benzimidazole inhibitor ligand when docked with VEGFR-2. ADMET study showed comparable results most of the compounds showed absorption within (95-99) zone varying according to different substitutions attached to thieno pyrimidine ring system. Conclusions: A series of 2-subsituted thienopyrimidines are to be synthesized with anticipated anticancer activity and according to docking study structure requirement for the design of VEGFR-2 inhibitors which can act as powerful anticancer agents.

Keywords: docking, discovery studio 4.1/CDOCKER, heterocycles based anticancer agents, 2-subsituted thienopyrimidines

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Authors: Devinder Kaur Sugga, Ekamdeep Kaur, Jaspreet Kaur, C. Rajesh, Preeti Rajesh, Harsimran Kaur

Abstract:

Withanolides are steroidal lactones and are highly oxygenated phytoconstituents that can be developed as potential anti-carcinogenic agents. The two main withanolides, namely Withaferin A and Withanolides D, have been extensively studied for their pharmacological activities. Both these withanolides are present in the Withania somnifera (WS) leaves belonging to the family Solanaceae, also known as “Indian ginseng .”In this study effects of WS leaf extract on the MCF7 breast cancer cell line were investigated by performing a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) assay to evaluate the cytotoxic effects and in vitro wound-healing assay to study the effect on cancer cell migration. Our data suggest WS extracts have cytotoxic effects and are effective anti-migrating agents and thus can be a source of potential candidates for the development of potential agents against metastasis. Thus, it can be a source of potential candidates for the development of potential agents against metastasis. Insight into these results, the in-silico approach to identify the possible protein targets interacting with withanolides was taken. Protein kinase C alpha (PKCα) was among the selected 5 top-ranked target proteins identified by the Swiss Target Prediction tool. PKCα is known to promote the growth and invasion of cancer cells and is being evaluated as a prognostic biomarker and therapeutic target in clinically aggressive tumors. Molecular docking of Withaferin A and Withanolides D was performed using AutoDock Vina. Both the bioactive compounds interacted with PKCα. The targets predicted using this approach will serve as leads for the possible therapeutic potential of withanolides, the bioactive ingredients of WS extracts, as anti-cancer drugs.

Keywords: withania somnifera, withaferin A, withanolides D, PKCα

Procedia PDF Downloads 104