Search results for: catecholamine chemistry

Authors: O. S. Pradeep, S. Vigneshwaran, K. Praveen Kumar, K. Jeyendran, V. R. Sanal Kumar

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The influence of injector attitude on wall heat flux plays an important role in predicting the start-up transient and also determining the combustion chamber wall durability of liquid rockets. In this paper comprehensive numerical studies have been carried out on an idealized liquid rocket combustion chamber to examine the transient wall heat flux during its start-up transient at different injector attitude. Numerical simulations have been carried out with the help of a validated 2d axisymmetric, double precision, pressure-based, transient, species transport, SST k-omega model with laminar finite rate model for governing turbulent-chemistry interaction for four cases with different jet intersection angles, viz., 0^o, 30^o, 45^o, and 60^o. We concluded that the jets intersection angle is having a bearing on the time and location of the maximum wall-heat flux zone of the liquid rocket combustion chamber during the start-up transient. We also concluded that the wall heat flux mapping in liquid rocket combustion chamber during the start-up transient is a meaningful objective for the chamber wall material selection and the lucrative design optimization of the combustion chamber for improving the payload capability of the rocket.  

Keywords: combustion chamber, injector, liquid rocket, rocket engine wall heat flux

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Authors: Yomna Ibrahim El-Gazzar, Hussien Ibrahim El-Subbagh, Hanan Hanaa Georgey, Ghada S. Hassan Hassan

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Dihydrofolate reductase (DHFR) is an enzyme that has pivotal importance in biochemistry and medicinal chemistry. It catalyzes the reduction of dihydrofolate to tetrahydrofolate and intimately couples with thymidylate synthase. Thymidylate synthase is a crucial enzyme that catalyzes the reductive methylation of (dUMP) to (dTMP) utilizing N5, N10-methylenetetrahydrofolate as a cofactor. A new series of 2-substituted thio-quinazolin-4-one analogs was designed that possessed electron withdrawing or donating functional groups (Cl or OCH3) at position 6- or 7-, 4-methoxyphenyl function at position 3-.The thiol function is used to connect to either 1,2,4-triazole, or 1,3,4-thiadiazole via a methylene bridge. Most of the functional groups designed to be accommodated on the quinazoline ring such as thioether, alkyl to increase lipid solubility of polar compounds, a character very much needed in the nonclassical DHFR inhibitors. The target compounds were verified with spectral data and elemental analysis. DHFR inhibitions, as well as antitumor activity, were applied on three cell lines (MCF-7, CACO-2, HEPG-2).

Keywords: nonclassical antifolates, DHFR Inhibitors, antitumor activity, quinazoline ring

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Authors: Arunas Stirke, Neringa Bakute, Gatis Mozolevskis

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A technology of microfluidics is an emerging tool in the field of biology, medicine and chemistry. Microfluidic device is also known as ‘lab-on-a-chip’ technology [1]. In moving from macro- to microscale, there is unprecedented control over spatial and temporal gradients and patterns that cannot be captured in conventional Petri dishes and well plates [2]. However, there is not a single standard microfluidic chip designated for all purposes – every different field of studies needs a specific microchip with certain geometries, inlet/outlet, channel depth and other parameters to precisely regulate the required function. Since our group is studying an effect of pulsed electric field (PEF) to the cells, we have manufactured a microfluidic chip designated for high-throughput electroporation of cells. In our microchip, a cell culture chamber is divided into two parallel channels by a membrane, meanwhile electrodes for electroporation are attached to the wall of the channels. Both microchannels have their own inlet and outlet, enabling injection of transfection material separately. Our perspective is to perform electroporation of mammalian cells in two different ways: (1) plasmid and cells are injected in the same microchannel and (2) injected into separate microchannels. Moreover, oxygen and pH sensors are integrated on order to analyse cell viability parameters after PEF treatment.

Keywords: microfluidics, chip, fabrication, electroporation

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Authors: Ajitesh Pal, Arpan Datta Roy, H. K. Pratihari

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The different illegal firearms crudely made by skilled gunsmith from scrap materials are popularly known as country made firearms. Such firearms along with improvised ammunition are clandestinely marketed at the cheaper price without any license to the extremist group, criminal, poachers and firearm lovers. As per National Crime Records Bureau (NCRB), MHA, Govt of India about 80% firearm cases are committed by country made/improvised firearms. The ballistic division of the laboratory has examined a good number of cases. The analysis of firearm cases received for forensic examination revealed that 7.65mm calibre pistols mostly improvised firearm are commonly used in firearm related crime cases. In the present communication, physical parameters and other characteristics features of some 7.65mm calibre pistols have been discussed in detail. The detailed study on country made (CM) firearm will help to prepare a database related to type of material used, origin of the raw material and tools used for inscription. The study also includes to establish the chemistry of propellants & head stamp pattern. The database will be helpful to the firearm examiners, researchers, students pursuing study on forensic science as reference material.

Keywords: improvised pistol, stringent gun law, working mechanism, parameters, database

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Authors: Abhijith N. V., Abhijit Pattnayak, Deepak Kumar

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Nowadays, a group of alloys, namely high entropy alloys (HEA), because of their excellent properties. However, the fabrication of HEAs requires multistage techniques, especially mill-ing, sieving, compaction, sintering, inert media, etc. These processes are laborious, costly, time-oriented, and unsuitable for commercial application. This study adopted a single-stage process-based HVOF thermal spray to develop HEA coating on SS304L substrates. The wear behavior of the deposited HEA coating was explored under different milling time durations (5h, 10h, and 15h, respectively). The effect of feedstock preparation, microstructure, surface chemistry, and mechanical and metallurgical properties on wear resistance was also investigated. The microstructure and composition of both coating and feedstock were evaluated by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) analysis. Finally, the phase distribution was correlated by X-ray diffraction (XRD ) analysis. The results showed that 15h milled powder coating indicated better tribological than the base substrate and 5h,10h milled powder coating. A chemically stable Body Centered Cubic (BCC) solid solution phase was generated within the 15h milled powder-coated system, which resulted in superior tribological properties.

Keywords: high entropy alloys coating, wear mechanism, HVOF coating, microstructure

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Authors: Basharat Hussain, Wasim Abbas, Sayed Sajid Hussain

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Amorphous colloidal TiO₂ spheres were annealed at high temperatures to yield anatase-phase TiO₂ nanoparticles. With a specific discharge capacity of around 296 mAh g⁻¹ (0.1C), the annealed TiO₂ outperformed its amorphous counterpart, which produced about 182 mAh g⁻¹ at the same rate. The annealed material's larger surface area and more active sites are responsible for this improvement. The amorphous TiO₂ nanoparticles, on the other hand, produced a solid electrolyte interface (SEI) layer that contained organic phosphates, lithium carbonate, and lithium alkyl carbonates. This led to a decrease in performance and increased intrinsic resistance. By successfully removing surface hydroxyl groups and chemisorbed water, high-temperature annealing reduced capacity loss and improved structural and electrochemical stability. After prolonged cycling, the annealed TiO₂ demonstrated enhanced rate capability and cycling performance, retaining 93.5% of its capacity as opposed to 42.1% for the amorphous material. By shedding light on the function of surface chemistry and material processing in maximizing battery performance, our results show the potential of annealed anatase TiO₂ as a high-performance electrode material for Li-ion batteries.

Keywords: TiO₂ li-ion battery, electrode, capacity, stability

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Authors: Anggi Ristiyana Puspita Sari, Suyanta

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To recognize the importance of the development of critical thinking and science process skills, the instrument should give attention to the characteristics of chemistry. Therefore, constructing an accurate instrument for measuring those skills is important. However, the integrated instrument assessment is limited in number. The purpose of this study is to validate an integrated assessment instrument for measuring students’ critical thinking and science process skills on acid base matter. The development model of the test instrument adapted McIntire model. The sample consisted of 392 second grade high school students in the academic year of 2015/2016 in Yogyakarta. Exploratory factor analysis (EFA) was conducted to explore construct validity, whereas content validity was substantiated by Aiken’s formula. The result shows that the KMO test is 0.714 which indicates sufficient items for each factor and the Bartlett test is significant (a significance value of less than 0.05). Furthermore, content validity coefficient which is based on 8 expert judgments is obtained at 0.85. The findings support the integrated assessment instrument to measure critical thinking and science process skills on acid base matter.

Keywords: acid base matter, critical thinking skills, integrated assessment instrument, science process skills, validity

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Authors: Aakansha Gupta, Neha Vadnere, Tapasvi Soni, M. Anbarsi

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Protein secondary structure prediction is one of the most important goals pursued by bioinformatics and theoretical chemistry; it is highly important in medicine and biotechnology. Some aspects of protein functions and genome analysis can be predicted by secondary structure prediction. This is used to help annotate sequences, classify proteins, identify domains, and recognize functional motifs. In this paper, we represent protein secondary structure as a mathematical model. To extract and predict the protein secondary structure from the primary structure, we require a set of parameters. Any constants appearing in the model are specified by these parameters, which also provide a mechanism for efficient and accurate use of data. To estimate these model parameters there are many algorithms out of which the most popular one is the EM algorithm or called the Expectation Maximization Algorithm. These model parameters are estimated with the use of protein datasets like RS126 by using the Bayesian Probabilistic method (data set being categorical). This paper can then be extended into comparing the efficiency of EM algorithm to the other algorithms for estimating the model parameters, which will in turn lead to an efficient component for the Protein Secondary Structure Prediction. Further this paper provides a scope to use these parameters for predicting secondary structure of proteins using machine learning techniques like neural networks and fuzzy logic. The ultimate objective will be to obtain greater accuracy better than the previously achieved.

Keywords: model parameters, expectation maximization algorithm, protein secondary structure prediction, bioinformatics

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Authors: V. K. Srivastava

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The chemistry of compounds containing transition metals bound to sulfur containing ligands has been actively studied. Interest in these compounds arises from the identification of the biological importance of iron-sulfur containing proteins as well as the unusual behaviour of several types of synthetic metal-sulfur complexes. Metal complexes (C₆H₅)₄P)₂ Pt(Mos₄)₂, (C₆H₅)₄P)₂ Pd(MoS₄)₂, (C₆H₅)₄P)₂ Ni(MoS₄)₂ of bioinorganic relevance were investigated. The complexes [M(M'S₄)₂]²⁻ were prepared with high yield and purity as salts of the variety of organic cations. The diamagnetism and spectroscopic properties of these complexes confirmed that their structures are essentially equivalent with two bidentate M'S₄²⁻ ligands coordinated to the central d⁸ metal in a square planer geometry. The interaction of the complexes with CT-DNA was studied. Results showed that metal complexes increased DNA's relative viscosity and quench the fluorescence intensity of EB bound to DNA. In antimicrobial activities, all complexes showed good antimicrobial activity higher than ligand against gram positive, gram negative bacteria and fungi. The antitumor properties have been tested in vitro against two tumor human cell lines, Hela (derived from cervical cancer) and MCF-7 (derived from breast cancer) using metabolic activity tests. Result showed that the complexes are promising chemotherapeutic alternatives in the search of anticancer agents.

Keywords: anti cancer, biocidal, DNA binding, spectra

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Authors: Khalifa Alatresh, Mirac Aydin

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This research explores the impacts of irrigation by treated wastewater (TWW) on the mineralogical and chemical attributes of sandy calcareous soils in the Southern region of Misurata. Soil samples obtained from three horizons (A, B, and C) of six TWW-irrigated pedons (29years) and six other pedons from nearby non-irrigated areas (dry-control). The results demonstrated that the TWW-irrigated pedons had significantly higher salinity (EC), sodium adsorption ratio (SAR), exchangeable sodium percentage (ESP), cation exchange capacity (CEC), available phosphor (AP), total nitrogen (TN), and organic matter (OM) relative to the control pedons. Nonetheless, all the values of interest (EC < 4000 µs/cm < SAR < 13, pH < 8.5 and ESP < 15) remained lower than the thresholds, showing no issues with sodicity or salinity. Irrigated pedons contained significantly higher amounts of total clay and showed an altered distribution of particle sizes and minerals identified (quartz, calcite, microcline, albite, anorthite, and dolomite) within the profile. The observed results included the occurrence of Margarite, Anorthite, Chabazite, and Tridymite minerals after the application of TWW in small quantities that are not enough to influence soil genesis and classification.0,51 cm.

Keywords: treated wastewater, sandy calcareous soils, soil mineralogy, and chemistry

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Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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Authors: Sri Rejeki Dwi Astuti, Suyanta

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The demanding of the asessment in learning process was impact by policy changes. Nowadays, the assessment not only emphasizes knowledge, but also skills and attitude. However, in reality there are many obstacles in measuring them. This paper aimed to describe how to develop instrument of integrated assessment as alternative assessment to measure critical thinking skills and science process skills in electrolyte solution and to describe instrument’s characteristic such as logic validity and construct validity. This instrument development used test development model by McIntire. Development process data was acquired based on development test step and was analyzed by qualitative analysis. Initial product was observed by three peer reviewer and six expert judgment (two subject matter expert, two evaluation expert and two chemistry teacher) to acquire logic validity test. Logic validity test was analyzed using Aiken’s formula. The estimation of construct validity was analyzed by exploratory factor analysis. Result showed that integrated assessment instrument has 0,90 of Aiken’s Value and all item in integrated assessment asserted valid according to construct validity.

Keywords: construct validity, critical thinking skills, integrated assessment instrument, logic validity, science process skills

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Authors: C. W. Kan, Y. L. Lam

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Cotton textile has large specific surfaces with good adhesion and water-storage properties which provide conditions for the growth and settlement of biological organisms. In addition, the soil, dust and solutes from sweat can also be the sources of nutrients for microorganisms [236]. Generally speaking, algae can grow on textiles under very moist conditions, providing nutrients for fungi and bacteria growth. Fungi cause multiple problems to textiles including discolouration, coloured stains and fibre damage. Bacteria can damage fibre and cause unpleasant odours with a slick and slimy feel. In addition, microbes can disrupt the manufacturing processes such as textile dyeing, printing and finishing operations through the reduction of viscosity, fermentation and mold formation. Therefore, a large demand exists for the anti-microbially finished textiles capable of avoiding or limiting microbial fibre degradation or bio fouling, bacterial incidence, odour generation and spreading or transfer of pathogens. In this review, the main strategy for cotton textile will be reviewed. In the beginning, the classification of bacteria and germs which are commonly found with cotton textiles will be introduced. The chemistry of antimicrobial finishing will be discussed. In addition, the types of antimicrobial treatment will be summarized. Finally, the application and evaluation of antimicrobial treatment on cotton textile will be discussed.

Keywords: antimicrobial, cotton, textile, review

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Authors: Mohsin Ali Baloch, Saira Baloch

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Objective: The aim of this study was to evaluate the levels of serum lipid profiles in Urban and Rural Population of Sindh, to indicate the existing risk of cardiovascular diseases. Material and Methods: Study was conducted at Liaquat University of Medical & Health Sciences, in the cities of Jamshoro and Hyderabad of Sindh. Blood samples from 300 healthy individuals were collected in fasting condition, out them 100 were from rural population, 100 were urban while 100 were used as control group. The biochemistry of these samples was obtained by the analysis of total Cholesterol, high density lipoprotein Cholesterol (HDL), low-density lipoprotein Cholesterol (LDL) and Triglycerides using kit method on Analyzer Clinical Chemistry. Results and Conclusion: Serum levels of total cholesterol, Triglycerides, and LDL cholesterol were significantly raised in the rural and urban males, whereas HDL cholesterol was decreased as compared to the Healthy controls that indicated significant risk of CVD. Urban population was with more risk of CVD and male gender in both groups was at more risk. The worst lipid profile in gender wise distribution was observed in male gender of urban population with highest Total Cholesterol/HDL Ratio while female gender also shown moderate risk of CVD with highest LDL/HDL Ratio.

Keywords: cardiovascular diseases, lipid profiles, urban and rural population, LDL/HDL Ratio

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Authors: Roly B. Bayo-Ang

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This research investigated the effect of science intervention modules in Filipino and in English on mastery of content (MOC) and conceptual understanding of Grade 9 students in Chemistry. Analysis of content mastery scores revealed a significant difference in the mean scores of the control and experimental group, t (46) = -2.14, p < 0.05. The experimental group achieved an MPS of > 75% in three of the five lessons while none in the control group. Analysis of the pretest and posttest scores of the control group in the test for conceptual understanding (TCU) showed no significant difference, t (18), =1.44, p > 0.05, while pretest and posttest scores of experimental group revealed significant difference, t (29) = -5.08, p < 0.05. Comparison of posttest scores of control and experimental group revealed no significant difference t (42) =1.67, p > 0.05. Performance in TCU and MOC of the control group are not significantly correlated, r (17) =.307, p > 0.05; but significantly correlated, r (27) =.571, p < 0.05, for the experimental group. The intervention module in Filipino promotes conceptual understanding and mastery of content than the module in English.

Keywords: action research, conceptual understanding, mastery of content, Filipino module

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Authors: Yan Pang, Xiang Wang, Zhaomiao Liu

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Droplet microfluidics, in which nanoliter to picoliter droplets acted as individual compartments, are common to a diverse array of applications such as analytical chemistry, tissue engineering, microbiology and drug discovery. The droplet generation in a simplified two dimension T-shape microchannel with the main channel width of 50 μm and the side channel width of 25 μm, is simulated to investigate effects of the forced fluctuation of the side wall on the droplet generation and flow. The periodic fluctuations are applied on a length of the side wall in the main channel of the T-junction with the deformation shape of the double-clamped beam acted by the uniform force, which varies with the flow time and fluctuation periods, forms and positions. The fluctuations under most of the conditions expand the distribution range of the droplet size but have a little effect on the average size, while the shape of the fixed side wall changes the average droplet size chiefly. Droplet sizes show a periodic pattern along the relative time when the fluctuation is forced on the side wall near the T-junction. The droplet emerging frequency is not varied by the fluctuation of the side wall under the same flow rate and geometry conditions. When the fluctuation period is similar with the droplet emerging period, the droplet size shows a nice stability as the no fluctuation case.

Keywords: droplet generation, droplet size, flow flied, forced fluctuation

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Authors: İsmail İnce, Ali Bozdag, Ayla Bozdag, M. Bahadır Tosunlar, M. Ergun Hatır, Mustafa Korkanc

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The building stones used in the construction of historical structures are exposed to atmospheric effects directly or indirectly. As a result of this process, building stones are partially or completely degraded. Historical buildings are important symbols of cultural heritage, so it is very significant to transfer to the future generations by protecting and repairing of these historical buildings. The Eflatunpınar Hitit Monument located near the Eflatunpınar cold water spring was constructed by using natural rock blocks during the Hittites Empire period. The monument has been protected without losing its function until today. The purpose of this study is to evaluate the deteriorations in the Eflatunpınar Hitit Monument and to detect the water chemistry of the Eflatunpınar spring located around the Beysehir County in the west of Konya. For this purpose, the petrographic and mechanical properties of the rocks used in this monument were determined, and the deteriorations in the monument were determined with the aid of non-destructive test methods including Schmidt hardness value, relative humidity measurement, thermal imaging. Additionally, the physical (electrical conductivity (EC), pH and temperature) and chemical characteristics (major anions and cations) of the Eflatunpınar cold water spring have been detected.

Keywords: deteriorations, Eflatunpınar Hitit monument, Eflatunpınar spring, Konya, non-destructıve tests

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Authors: Carolin Anna Joy, Rohith K. R, Rehin Sulay, Parvathy Santhoshkumar, G.Anil Kumar, Vibin Ipe Thomas

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Ullmann coupling reactions are gaining great relevance owing to their contribution in the synthesis of biologically and pharmaceutically important compounds. Palladium and many other heavy metals have proven their excellent ability in coupling reaction, but the toxicity matters. The first-row transition metal also possess toxicity, except in the case of iron and manganese. The suitability of manganese as a catalyst is achieving great interest in oxidation, reduction, C-H activation, coupling reaction etc. In this presentation, we discuss the thermo chemistry of ligand free manganese catalyzed C-O coupling reaction between phenol and aryl halide for the synthesis of biaryl ethers using Density functional theory techniques. The mechanism involves an oxidative addition-reductive elimination step. The transition state for both the step had been studied and confirmed using Intrinsic Reaction Coordinate (IRC) calculation. The barrier height for the reaction had also been calculated from the rate determining step. The possibility of other mechanistic way had also been studied. To achieve further insight into the mechanism, substrate having various functional groups is considered in our study to direct their effect on the feasibility of the reaction.

Keywords: Density functional theory, Molecular Modeling, ligand free, biaryl ethers, Ullmann coupling

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Authors: A. Guellati, F-M Lounis, N. Guemras, K. Daoud

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Micro droplet formation is considered as a growing emerging area of research due to its wide-range application in chemistry as well as biology. The mechanism of micro droplet formation using two immiscible liquids running through a T-junction has been widely studied. We believe that the flow of these two immiscible phases can be of greater important factor that could have an impact on out-flow hydrodynamic behavior, the droplets generated and the size of the droplets. In this study, the type of the capillary tubes used also represents another important factor that can have an impact on the generation of micro droplets. The tygon capillary tubing with hydrophilic inner surface doesn't allow regular out-flows due to the fact that the continuous phase doesn't adhere to the wall of the capillary inner surface. Teflon capillary tubing, presents better wettability than tygon tubing, and allows to obtain steady and regular regimes of out-flow, and the micro droplets are homogeneoussize. The size of the droplets is directly dependent on the flows of the continuous and dispersed phases. Thus, as increasing the flow of the continuous phase, to flow of the dispersed phase stationary, the size of the drops decreases. Inversely, while increasing the flow of the dispersed phase, to flow of the continuous phase stationary, the size of the droplet increases.

Keywords: microfluidic system, micro droplets generation, t-junction, fluids engineering

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Authors: Parul Bhalla, Sarvesh Palria

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Wetlands are areas of land that are either temporarily or permanently covered by water. Wetlands exhibit enormous diversity according to their genesis, geographical location, water regime and chemistry, dominant plants and soil or sediment characteristics. The spatial and temporal characteristics of wetland in terms of turbidity and aquatic vegetation could serve as guiding tool, in conservation prioritization of wetlands. The aquatic vegetation in the wetland is an indicator of the trophic status of the wetland which has a bearing on the water quality, the turbidity level in any wetland is indicative of the quality of the water in it. To conserve and manage wetland resources, it is important to have inventory of wetland and its catchment. Fateh Sagar wetland in Udaipur city is the one of the important wetland for tourism industry and other economic activities in the region. Realizing the importance of the wetland, the present study has been taken up with the specific objective of delineation and characterization of Fateh Sagar wetland in terms of turbidity and aquatic vegetation, using high resolution satellite data such as Cartosat and LISS IV multi-temporal data, which will efficiently bring out the changes in water spread and quality parameters. The catchment of wetland has been also characterized for various features. The study leads in to takes necessary steps to conserve the wetland and its resources.

Keywords: aquatic vegetation, catchment, turbidity status, wetland

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Authors: S. Assylbekova, D. Zolotareva, A. Dauletbakov, Ye. Belyankova, S. Bayazit, A. Basharimova, A. Zazybin, A. Isimberlenova, A. Kakimova, M. Aydemir, A. Kairullinova

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Transfer hydrogenation (TH) is a key process in organic chemistry, especially in pharmaceutical and agrochemical synthesis, offering a safer and more sustainable approach compared to traditional methods. This work is devoted to the synthesis and use of ruthenium catalysts containing phosphinite ligands in TH reactions. Ruthenium complexes are particularly noteworthy for their effectiveness in asymmetric TH. Their stability and adaptability to different reaction environments make them ideal for both laboratory-scale and industrial applications. Phosphinite ligands (P(OR)R'2) are used in the synthesis of complexes to improve their properties. These ligands are known for their ability to finely tune the electronic and steric properties of metal centers. The electron-donating nature of the phosphorus atom, combined with the variability in the R and R' groups, allows for significant customization of the catalyst's properties. The purpose and difference of the work is to study the incorporation of a hydrophilic ionic liquid into the composition of a phosphinite ligand, which will then be converted into a catalyst. The technique involves the synthesis of a phosphinite ligand with an ionic liquid at room temperature under an inert atmosphere and then a ruthenium complex. Next, the TH reactions of acetophenone and its derivatives are carried out using the resulting catalyst. The conversion of ketone to alcohol is analyzed using a gas chromatograph. This study contributes to the understanding of the influence of catalyst physico-chemical properties on transfer hydrogenation results.

Keywords: transfer hydrogenation, ruthenium, catalysts, phosphinite ligands

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Authors: Saji George, Eng Khuan Seng, Christof Luda

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Nanotechnology has been recognized as an important tool for modern agriculture and has the potential to overcome some of the pressing challenges faced by aquaculture industry. A strategy for optimizing nanotechnology-based therapeutic delivery platform for immunizing farmed fish was developed. Accordingly, a compositional library of nanomaterials of natural chemistry (Halloysite (clay), Chitosan, Hydroxyapatite, Mesoporous Silica and a composite material of clay-chitosan) was screened for their toxicity and efficiency in delivering models antigens in cellular and zebrafish embryo models using high throughput screening platforms. Through multi-parametric optimization, chitosan modified halloysite (clay) nanomaterial was identified as an optimal vaccine delivery platform. Further, studies conducted in juvenile seabass showed the potential of clay-chitosan in delivering outer membrane protein of Tenacibaculum maritimum- TIMA (pathogenic bacteria) to and its efficiency in eliciting immune responses in fish. In short, as exemplified by this work, the strategy of using compositional nanomaterial libraries and their biological profiling using high-throughput screening platform could fasten the discovery process of nanomaterials with potential applications in food and agriculture.

Keywords: nanotechnology, fish-vaccine, drug-delivery, halloysite-chitosan

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Authors: Fatemeh Nokhodchi Bonab

Abstract:

Bioinformatics, in its broad sense, involves application of computer processes to solve biological problems. A wide range of computational tools are needed to effectively and efficiently process large amounts of data being generated as a result of recent technological innovations in biology and medicine. A number of computational tools have been developed or adapted to deal with the experimental riches of complex and multivariate data and transition from data collection to information or knowledge. These bioinformatics tools are being evaluated and applied in various medical areas including early detection, risk assessment, classification, and prognosis of cancer. The goal of these efforts is to develop and identify bioinformatics methods with optimal sensitivity, specificity, and predictive capabilities. The recent flood of data from genome sequences and functional genomics has given rise to new field, bioinformatics, which combines elements of biology and computer science. Bioinformatics is conceptualizing biology in terms of macromolecules (in the sense of physical-chemistry) and then applying "informatics" techniques (derived from disciplines such as applied maths, computer science, and statistics) to understand and organize the information associated with these molecules, on a large-scale. Here we propose a definition for this new field and review some of the research that is being pursued, particularly in relation to transcriptional regulatory systems.

Keywords: methods, applications, transcriptional regulatory systems, techniques

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Authors: Natasha Khan, Muhammad Arif

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The Chakdara granite gneiss is an extension of Swat granite gneisses. It is characterized by biotite bands and the occurrence of fluorite and blue beryl. Younger phases (quartzofeldspathic veins) occur within gneisses are characterized by various mineral phases that include beryl, biotite, phlogopite, annite, muscovite, ilmenite-pyrophanite, monazite, zircon, apatite, magnetite and minor amounts of sphene, rutile, and ulvöspinel. The present paper is an attempt to address the detailed mineral chemistry and genesis of minerals occurring in these younger phases. These quartzofeldspathic veins are assumed to be of hydrothermal origin on the basis of Th2O content in monazite, Zr/Hf ratio in zircon, REE enrichment, and Ce/Y ratio of allanite. Biotite in the present study is characterized by high F content. Muscovite is phengitic and contains very high amounts of Fe as compared to the normal muscovites. The Th2O content for monazite is low (0.81-1.56 wt. %) like those of hydrothermal origin. The Zr/Hf ratio in zircon is variable for different analyses but mostly falls in the range of ~ 41 and above. Allanite is generally unaltered and characterized by LREE enrichment. The properties of beryl and columbite in the present study show pegmatitic features.

Keywords: Beryl, Chakdarra granite gneiss, micas, quartzofeldspathic veins

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Authors: Mohammadjavad Palimi, D. Y. Li, E. Kuru

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Emulsion-based drilling fluids containing mineral oil are commonly used for drilling operations, which generate a lubricating film to prevent direct contact between moving metal parts, thus reducing friction, wear, and corrosion. For long-lasting lubrication, the thin lubricating film formed on the metal surface should possess good anti-wear and anti-corrosion capabilities. This study aims to investigate the effects of two additives, TERGITOL NP-9 and PEG-10 oleyl phosphate, acting as surfactant and corrosion inhibitor, respectively, on the tribo-corrosion behavior of 1018 carbon steel immersed in 5% KCl solution at room temperature. A pin-on-disc tribometer attached to an electrochemical system was used to investigate the corrosive wear of the steel immersed in emulsion-based fluids containing the surfactant and corrosion inhibitor. The wear track, surface chemistry and composition of the protective film formed on the steel surface were analyzed with an optical profilometer, SEM, and SEM-EDX. Results of the study demonstrate that the performance of the emulsion-based drilling fluids was significantly improved by the corrosion inhibitor by a remarkable reduction in corrosion, coefficient of friction (COF) and wear.

Keywords: corrosion inhibitor, emulsion-based drilling fluid, tribo-corrosion, friction, wear

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Authors: Ikudayisi Akinola, Adeyemo Folasade, Adeyemo Josiah

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This study focuses on the hydro-geology and chemistry of Ikogosi Warm Spring in South West Nigeria. Ikogosi warm spring is a global tourist attraction because it has both warm and cold spring sources. Water samples from the cold spring, warm spring and the meeting point were collected, analyzed and the result shows close similarity in temperature, hydrogen iron concentration (pH), alkalinity, hardness, Calcium, Magnesium, Sodium, Iron, total dissolved solid and heavy metals. The measured parameters in the water samples are within World Health Organisation standards for fresh water. The study of the geology of the warm spring reveals that the study area is underlain by a group of slightly migmatised to non-migmatised paraschists and meta-igneous rocks. The concentration levels of selected heavy metals, (Copper, Cadmium, Zinc, Arsenic and Cromium) were determined in the water (ppm) samples. Chromium had the highest concentration value of 1.52ppm (an average of 49.67%) and Cadmium had the lowest concentration with value of 0.15ppm (an average of 4.89%). Comparison of these results showed that, their mean levels are within the standard values obtained in Nigeria. It can be concluded that both warm and spring water are safe for drinking.

Keywords: cold spring, Ikogosi, melting point, warm spring, water samples

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Authors: Joel S. Mtebe, Aron Kondoro, Mussa M. Kissaka, Elia Kibga

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Sub-Saharan Africa is described as the second fastest growing mobile phone penetration in the world more than in the United States or the European Union. Mobile phones have been used to provide a lot of opportunities to improve people’s lives in the region such as in banking, marketing, entertainment, and paying various bills such as water, TV, and electricity. However, the potential of using mobile phones to enhance teaching and learning has not been explored. This study presents an experience of developing and delivering SMS quizzes questions that were used to assess mastery of the subject content knowledge of science and mathematics secondary school teachers in Tanzania. The SMS quizzes were used as a follow up support mechanism to 500 teachers who participated in a project to upgrade subject content knowledge of science and mathematics subjects. Quizzes of 10-15 questions were sent to teachers each week for 8 weeks and the results were analyzed using SPSS. The results showed that chemistry and biology had better performance compared to mathematics and physics. Teachers reported some challenges that led to poor performance, invalid answers, and non-responses and they are presented. This research has several practical implications for those who are implementing or planning to use mobile phones for teaching and learning especially in rural secondary schools in sub-Saharan Africa.

Keywords: mobile learning, elearning, educational technolgies, SMS, secondary education, assessment

Procedia PDF Downloads 283

Authors: Rauf Razzaq, Kaiwu Dong, Muhammad Sharif, Ralf Jackstell, Matthias Beller

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Carbon dioxide (CO2), a key greenhouse gas produced from both anthropogenic and natural sources, has been recently considered to be an important C1 building-block for the synthesis of many industrial fuels and chemicals. Catalytic hydrogenation of CO2 using a heterogeneous system is regarded as an efficient process for CO2 valorization. In this regard CO2 reduction to CO via the reverse water gas shift reaction (RWGSR) has attracted much attention as a viable process for large scale commercial CO2 utilization. This process can generate syn-gas (CO+H2) which can provide an alternative route to direct CO2 conversion to methanol and/or liquid HCs from FT reaction. Herein, we report a highly active and selective silica supported copper catalyst with efficient CO2 reduction to CO in a slurry-bed batch autoclave reactor. The reactions were carried out at 200°C and 60 bar initial pressure with CO2/H2 ratio of 1:3 with varying temperature, pressure and fed-gas ratio. The gaseous phase products were analyzed using FID while the liquid products were analyzed by using FID detectors. It was found that Cu/SiO2 catalyst prepared using novel ammonia precipitation-urea gelation method achieved 26% CO2 conversion with a CO and methanol selectivity of 98 and 2% respectively. The high catalytic activity could be attributed to its strong metal-support interaction with highly dispersed and stabilized Cu+ species active for RWGSR. So, it can be concluded that reduction of CO2 to CO via RWGSR could address the problem of using CO2 gas in C1 chemistry.

Keywords: CO2 reduction, methanol, slurry reactor, synthesis gas

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Authors: Sanja O. Podunavac-Kuzmanović, Lidija R. Jevrić, Strahinja Z. Kovačević

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In last decade, metal-organic complexes have captured intensive attention because of their wide range of biological activities such as antibacterial, antifungal, anticancerous, antimicrobial and antiHIV. Therefore, it is of great importance for the development of coordination chemistry to explore the assembly of functional organic ligands with metal ion and to investigate the relationship between the structure and property. In view of our studies, we reasoned that benzimidazoles complexed to metal ions could act as a potent antibacterial agents. Thus, we have bioassayed the inhibitory potency of benzimidazoles and their metal salts (Co or Ni) against Gram negative bacteria Escherichia coli. In order to validate our in vitro study, we performed in silico studies using molecular docking software’s. The investigated compounds and their metal complexes (Co, Ni) showed good antibacterial activity against Escherichia coli. In silico docking studies of the synthesized compounds suggested that complexed benzimidazoles have a greater binding affinity and enhanced antibacterial activity in comparison with noncomplexed ligands. In view of their enhanced inhibitory properties we propose that the studied complexes can be used as potential pharmaceuticals. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, complexes, antibacterial, Escherichia coli, metal

Procedia PDF Downloads 317

Authors: S. Srikiran, Dharmala Venkata Padmaja, P. N. L. Pavani, R. Pola Rao, K. Ramji

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Technological advancements in the development of cutting tools and coolant/lubricant chemistry have enhanced the machining capabilities of hard materials under higher machining conditions. Generation of high temperatures at the cutting zone during machining is one of the most important and pertinent problems which adversely affect the tool life and surface finish of the machined components. Generally, cutting fluids and solid lubricants are used to overcome the problem of heat generation, which is not effectively addressing the problems. With technological advancements in the field of tribology, nano-level particulate solid lubricants are being used nowadays in machining operations, especially in the areas of turning and grinding. The present investigation analyses the effect of using nano-particulate graphite powder as lubricant in the turning of AISI 1040 steel under variable machining conditions and to study its effect on cutting forces, tool temperature and surface roughness of the machined component. Experiments revealed that the increase in cutting forces and tool temperature resulting in the decrease of surface quality with the decrease in the size of nano-particulate graphite powder as lubricant.

Keywords: solid lubricant, graphite, minimum quantity lubrication (MQL), nano–particles

Procedia PDF Downloads 270