Search results for: synthetic analogues

Authors: Hummera Rafique, Aamer Saeed

Abstract:

Synthesis of structural analogues of various well known bioactive natural 3,4-dihydroisocoumarins viz. Scorzocreticin, Annulatomarin, Montroumarin, and Thunberginol B, have been carried out starting from 3,5-dimethoxy-4-methylphenyl acetic acid. 3,5-Dimethoxy-4-methylphenyl acetic acid was then condensed with various aryl acid chlorides (a-e) to afford the corresponding 6,8-dimethoxy-7-methyl-3-aryl isocoumarins (5a-e). The alkaline hydrolysis of isocoumarins yields keto-acids (3a-e), which were then reduced to hydroxyacids, followed by cyclodehydration with acetic anhydride furnish corresponding 3,4-dihydroisocoumarins (7a-e). Finally, demethylation of 3,4-dihydroisocoumarins was carried out to afford 6,8-dihydroxy-7-methyl-3-aryl-3,4-dihydroisocoumarins (7a-e). Antibacterial evaluation of all the synthesized compounds were carried out against ten bacterial strains, it was concluded that isocoumarins (5a-e) and 3,4-dihydroisocoumarins (7a-e) are more active against gram positive bacteria then gram negative. However, the 6,8-dihydroxy-3,4-dihydroisocoumarin derivatives (8a-e) are more active against gram negative then gram positive.

Keywords: 3, 5-Dimethoxy-4-methylhomophthalic acid, natural 3, 4-Dihydroisocoumarin analogues, antibacterial activity, isocoumarins, demethylation

Procedia PDF Downloads 379

Authors: Salete Martins Alves, José Josemar de Oliveira Junior

Abstract:

The current efforts on design of lubricants are based in attending the new requirement of modern equipment with the focus on the choice of base oil and additives. Nowadays, there are different types of lubricant oils’ bases, such as mineral oils, synthetic oils, re-refined oils and vegetable oils. The lubrication in the boundary condition is controlled mainly by EP additives that interact with the surface forming very thin films. Therefore, the study’s goal is to evaluate the action of three EP additives, with different percentage of sulfur, on friction and wear reduction. They were evaluated in mineral and synthetic oils. Lubricants were prepared with synthetic and mineral oils and added 3 % and 5 % of EP additives. The friction and wear characteristics were studied using HFRR test. In this test, a normal load of 10 N was applied at a frequency of 20 Hz. The analysis of results has appointed that the percentage of sulfur in mineral oil has influenced on wear reduction. However, synthetic oil had good performance with low sulfur content.

Keywords: boundary lubrication, EP additives, sulfur, wear

Procedia PDF Downloads 367

Authors: Ibrahim Can, Fatih Tosunoğlu

Abstract:

The flow duration curve (FDC) is an informative method that represents the flow regime’s properties for a river basin. Therefore, the FDC is widely used for water resource projects such as hydropower, water supply, irrigation and water quality management. The primary purpose of this study is to obtain synthetic daily flow duration curves for Çoruh Basin, Turkey. For this aim, we firstly developed univariate auto-regressive moving average (ARMA) models for daily flows of 9 stations located in Çoruh basin and then these models were used to generate 100 synthetic flow series each having same size as historical series. Secondly, flow duration curves of each synthetic series were drawn and the flow values exceeded 10, 50 and 95 % of the time and 95% confidence limit of these flows were calculated. As a result, flood, mean and low flows potential of Çoruh basin will comprehensively be represented.

Keywords: ARMA models, Çoruh basin, flow duration curve, Turkey

Procedia PDF Downloads 360

Authors: O. Abusaeeda, J. P. O. Evans, D. Downes

Abstract:

We demonstrate the synthesis of intermediary views within a sequence of X-ray images that exhibit depth from motion or kinetic depth effect in a visual display. Each synthetic image replaces the requirement for a linear X-ray detector array during the image acquisition process. Scale invariant feature transform, SIFT, in combination with epipolar morphing is employed to produce synthetic imagery. Comparison between synthetic and ground truth images is reported to quantify the performance of the approach. Our work is a key aspect in the development of a 3D imaging modality for the screening of luggage at airport checkpoints. This programme of research is in collaboration with the UK Home Office and the US Dept. of Homeland Security.

Keywords: X-ray, kinetic depth, KDE, view synthesis

Procedia PDF Downloads 230

Authors: Zhandos Tauanov, Dhawal Shah, Grigorios Itskos, Vasileios Inglezakis

Abstract:

Removal of mercury (II) from aqueous phase is of utmost importance, as it is highly toxic and hazardous to the environment and human health. One way of removal of mercury (II) ions from aqueous solutions is by using adsorbents derived from coal fly ash (CFA), such as synthetic zeolites. In this work, we present the hydrothermal production of synthetic zeolites from CFA with conversion rate of 75%. In order to produce silver containing nanocomposites, synthetic zeolites are subsequently impregnated with various amounts of silver nanoparticles, from 0.2 to 2wt.%. All produced zeolites and parent materials are characterized by XRD, XRF, BET, SEM, and TEM to obtain morphological and microstructural data. Moreover, mercury (II) ions removal from aqueous solutions with initial concentration of 10 ppm is studied. According to results, zeolites and Ag-nanocomposites demonstrate much higher removal than parent CFA (up to 98%). In addition to this, we could observe a distinct adsorption behavior depending on the loading of Ag NPs in nanocomposites. A possible reaction mechanism for both zeolites and Ag-nanocomposites is discussed.

Keywords: coal fly ash, mercury (II) removal, nanocomposites, silver nanoparticles, synthetic zeolite

Procedia PDF Downloads 249

Authors: Drashti G. Daraji, Rosa E. Moo-Puc, Hitesh D. Patel

Abstract:

Substituted 2-Thioimidazole analogues have been synthesized and confirmed by advanced spectroscopic techniques. Among them, ten compounds have been selected and evaluated for their in vitro anti-cancer activity at the National Cancer Institute (NCI) for testing against a panel of 60 different human tumor cell lines derived from nine neoplastic cancer types. Furthermore, synthesized compounds were tested for their in vitro antiprotozoal activity, and none of them exhibited significant potency against antiprotozoans. It was observed that the tested all compounds seem effective on the UACC-62 melanoma cancer cell line as compared to other cancer cell lines and also exhibited the least potent in the Non-Small Cell Lung Cancer cell line in one-dose screening. In silico studies of these derivatives were carried out by molecular docking techniques and Absorption, Distribution, Metabolism, and Excretion (ADME) using Schrödinger software to find potent B-Raf kinase inhibitor (PDB ID: 3OG7). All the compounds have been performed for docking study; Compound D4 has a good docking score for melanoma cancer as compared with other.

Keywords: anticancer activity, cancer cell line, 2-thio imidazole, one-dose assay, molecular docking

Procedia PDF Downloads 112

Authors: Minjin Kim, Jihwan Kim, Bongsoo Kim, Junho Suh

Abstract:

We demonstrate nanomechanical resonators constructed with synthetic nanowires (NWs) and study their electro-mechanical properties at millikelvin temperatures. Nanomechanical resonators are fabricated using single-crystalline Au NWs and InAs NWs. The mechanical resonance signals are acquired by either magnetomotive or capacitive detection methods. The Au NWs are synthesized by chemical vapor transport method at 1100 °C, and they exhibit clean surface and single-crystallinity with little defects. Due to pristine surface quality, these Au NW mechanical resonators could provide an ideal model system for studying surface-related effects on the mechanical systems. The InAs NWs are synthesized by molecular beam epitaxy or metal organic chemical vapor deposition method. The InAs NWs show electronic conductance modulation resembling Coulomb blockade, which also manifests in the mechanical resonance signals in the form of damping and resonance frequency shift. Our result provides an evidence of strong electro-mechanical coupling in synthetic NW nanomechanical resonators.

Keywords: Au nanowire, InAs nanowire, nanomechanical resonator, synthetic nanowires

Procedia PDF Downloads 182

Authors: Reda Mankbadi

Abstract:

The current work explores the use of Synthetic Jet Actuators (SJAs) for control of the acoustic radiation of a low-speed transitioning airfoil in a uniform stream. In the adopted numerical procedure, the actuator is modeled without its resonator cavity through imposing a simple fluctuating-velocity boundary condition at the bottom of the actuator's orifice. The orifice cavity, with the properly defined boundary condition, is then embedded into the airfoil surface. High-accuracy viscous simulations are then conducted to study the effects of the actuation on sound radiated by the airfoil. Results show that SJA can considerably suppress the radiated sound of the airfoil in uniform incoming stream.

Keywords: simulations, aeroacoustics, wind turbine noise, synthetic jet actuators (SJAs)

Procedia PDF Downloads 326

Authors: Vishwesh Kulkarni, Nikhil Bellarykar

Abstract:

Cellular complexity stems from the interactions among thousands of different molecular species. Thanks to the emerging fields of systems and synthetic biology, scientists are beginning to unravel these regulatory, signaling, and metabolic interactions and to understand their coordinated action. Reverse engineering of biological networks has has several benefits but a poor quality of data combined with the difficulty in reproducing it limits the applicability of these methods. A few years back, many of the commonly used predictive algorithms were tested on a network constructed in the yeast Saccharomyces cerevisiae (S. cerevisiae) to resolve this issue. The network was a synthetic network of five genes regulating each other for the so-called in vivo reverse-engineering and modeling assessment (IRMA). The network was constructed in S. cereviase since it is a simple and well characterized organism. The synthetic network included a variety of regulatory interactions, thus capturing the behaviour of larger eukaryotic gene networks on a smaller scale. We derive a new set of algorithms by solving a nonlinear optimization problem and show how these algorithms outperform other algorithms on these datasets.

Keywords: synthetic gene network, network identification, optimization, nonlinear modeling

Procedia PDF Downloads 125

Authors: Chandra Prayaga, Aaron Wade, Lakshmi Prayaga, Gopi Shankar Mallu

Abstract:

This paper presents the use of machine learning algorithms to predict the success of students in an introductory physics course. Data having 140 rows pertaining to the performance of two batches of students was used. The lack of sufficient data to train robust machine learning models was compensated for by generating synthetic data similar to the real data. CTGAN and CTGAN with Gaussian Copula (Gaussian) were used to generate synthetic data, with the real data as input. To check the similarity between the real data and each synthetic dataset, pair plots were made. The synthetic data was used to train machine learning models using the PyCaret package. For the CTGAN data, the Ada Boost Classifier (ADA) was found to be the ML model with the best fit, whereas the CTGAN with Gaussian Copula yielded Logistic Regression (LR) as the best model. Both models were then tested for accuracy with the real data. ROC-AUC analysis was performed for all the ten classes of the target variable (Grades A, A-, B+, B, B-, C+, C, C-, D, F). The ADA model with CTGAN data showed a mean AUC score of 0.4377, but the LR model with the Gaussian data showed a mean AUC score of 0.6149. ROC-AUC plots were obtained for each Grade value separately. The LR model with Gaussian data showed consistently better AUC scores compared to the ADA model with CTGAN data, except in two cases of the Grade value, C- and A-.

Keywords: machine learning, student success, physics course, grades, synthetic data, CTGAN, gaussian copula CTGAN

Procedia PDF Downloads 15

Authors: Jerome G. Chandraseelan, Samuel M. D. Oliveira, Antti Häkkinen, Sofia Startceva, Andre S. Ribeiro

Abstract:

We used live E. coli containing synthetic genetic oscillators to study how the degree of synchrony between the genetic circuits of sister cells changes with temperature. We found that both the mean and the variability of the degree of synchrony between the fluorescence signals from sister cells are affected by temperature. Also, while most pairs of sister cells were found to be highly synchronous in each condition, the number of asynchronous pairs increased with increasing temperature, which was found to be due to disruptions in the oscillations. Finally we provide evidence that these disruptions tend to affect multiple generations as opposed to individual cells. These findings provide insight in how to design more robust synthetic circuits and in how cell division can affect their dynamics.

Keywords: repressilator, robustness, synchrony, synthetic biology

Procedia PDF Downloads 451

Authors: Ramalingam Boobalan, Chinpiao Chen, Jui-I. Chiao

Abstract:

A series of erlotinib analogues that have structural modification at 6,7-alkoxyl positions is efficiently synthesized. The key reactions that involved in synthesis are one-pot oxime formation-dehydration for the formation of nitrile, quinazoline ring formation reaction between aniline and o-cyanoaniline via formamidine intermediate, Fe/NH4Cl catalyzed reduction-hetereocyclization-reductive ring opening reaction for the formation of o-aminobenzamide, high yielding seal tube reactions for O-demethylation, sodium iodide substitution, ammonia substitution. The in vitro anti-tumor activity of synthesized compounds is studied in two non-small cell lung cancer (NSCLC) cell lines (A549 and H1975). Among the synthesized compounds, the iodo compound 6 (ETN-6) exhibits higher anti-cancer activity compared to erlotinib. An efficient method is developed for the conjugation of erlotinib analogue-4, alcohol compound, with protein, bovine serum albumin (BSA), via succinic acid linker. The in vitro anti-tumor activity of the protein attached erlotinib analogue, 8 (ETN-4-Suc-BSA), showed stronger inhibitory activity in both A549 and H1975 NSCLC cell lines.

Keywords: anti-cancer, BSA, EGFR, Erlotinib

Procedia PDF Downloads 298

Authors: Numair A. Siddiqui, Usman Muhammad, Manoj J. Mathew, Ramkumar M., Benjamin Sautter, Muhammad A. K. El-Ghali, David Menier, Shiqi Zhang

Abstract:

The sedimentological parameterization of shallow-marine siliciclastic reservoirs in terms of reservoir quality and heterogeneity from outcrop study can help improve the subsurface reservoir prediction. An architectural analysis has documented variations in sandstone geometry and rock properties within shallow-marine sandstone exposed in the Miocene Sandakan Formation of Sabah, Borneo. This study demonstrates reservoir sandstone quality assessment for subsurface rock evaluation, from well-exposed successions of the Sandakan Formation, Borneo, with which applicable analogues can be identified. The analyses were based on traditional conventional field investigation of outcrops, grain-size and petrographic studies of hand specimens of different sandstone facies and gamma-ray and permeability measurements. On the bases of these evaluations, the studied sandstone was grouped into three qualitative reservoir rock classes; high (Ø=18.10 – 43.60%; k=1265.20 – 5986.25 mD), moderate (Ø=17.60 – 37%; k=21.36 – 568 mD) and low quality (Ø=3.4 – 15.7%; k=3.21 – 201.30 mD) for visualization and prediction of subsurface reservoir quality. These results provided analogy for shallow marine sandstone reservoir complexity that can be utilized in the evaluation of reservoir quality of regional and subsurface analogues.

Keywords: architecture and sedimentology, subsurface rock evaluation, reservoir quality, borneo

Procedia PDF Downloads 104

Authors: Laidi Babouri

Abstract:

The remarkable properties of steel, such as hardness and impact resistance, motivate their use in the automotive manufacturing industry. However, due to the very vulnerable environmental conditions of use, the steel that makes up the car body can corrode. This situation is motivating more and more automobile manufacturers to develop research to develop processes minimizing the rate of degradation of the physicomechanical properties of these materials. The present work falls within this perspective; it presents the results of a research study focused on the use of synthetic wax for the protection of steel, type XES (DC04), against corrosion in aggressive environments. The media used in this study are an acid medium with a pH=5.6, a 3% chloride medium, and a dry medium. Evaluation of the protective power of synthetic wax in different environments was carried out using mass loss techniques (immersion), completed by electrochemical techniques (stationary and transient). The results of the immersion of the steel samples, with a surface area of (1.44 cm²), in the various media, for a period of 30 days, using the immersion technique, showed high protective efficiency of synthetic wax in acidic and saline environments, with a lesser degree in a dry environment. Moreover, the study of the protective power, using electrochemical techniques, confirmed the results obtained in static mode (loss of mass), the protective efficiency of synthetic wax, against the corrosion of steel, in different environments, which reaches a maximum rate of 99.87% in a saline environment.

Keywords: corrosion, steel, industrial wax, environment, mass loss, electrochemical techniques

Procedia PDF Downloads 43

Authors: Amin Mojiri, Akiyoshi Ohashi, Tomonori Kindaichi

Abstract:

Synthetic domestic wastewater was treated via combining treatment methods, including electrochemical oxidation, adsorption, and sequencing batch reactor (SBR). In the upper part of the reactor, an anode and a cathode (Ti/RuO₂-IrO₂) were organized in parallel for the electrochemical oxidation procedure. Sodium sulfate (Na₂SO₄) with a concentration of 2.5 g/L was applied as the electrolyte. The voltage and current were fixed on 7.50 V and 0.40 A, respectively. Then, 15% working value of the reactor was filled by activated sludge, and 85% working value of the reactor was added with synthetic wastewater. Powdered cockleshell, 1.5 g/L, was added in the reactor to do ion-exchange. Response surface methodology was employed for statistical analysis. Reaction time (h) and pH were considered as independent factors. A total of 97.0% biochemical oxygen demand, 99.9% phosphorous and 88.6% cadmium were eliminated at the optimum reaction time (80.0 min) and pH (6.4).

Keywords: adsorption, electrochemical oxidation, metals, SBR

Procedia PDF Downloads 176

Authors: Rafat M. Mohareb

Abstract:

Several D-ring alkylated estrone analogues display exceptionally high affinity for estrogen receptors. In particular, compounds in which an E-ring is formed are known to be involved in the inhibition of steroidogenic enzymes. Such compounds also have an effect on steroid dehydrogenase activity and the ability to inhibit the detrimental action of the steroid sulfatase enzyme. Generally, E-ring extended steroids have been accessed by modification of the C17-ketone in the D-ring by either arylimine or oximino formation, addition of a carbon nucleophile or hydrazone formation. Other approaches have included ketone reduction, silyl enol ether formation or ring-closing metathesis (giving five- or six-membered E-rings). Chemical modification of the steroid D-ring provides a way to alter the functional groups, sizes and stereochemistry of the D-ring, and numerous structure-activity relationships have been established by such synthetic alterations. Steroids bearing heterocycles fused to the D-ring of the steroid nucleus have been of pharmaceutical interest. In the present paper, we report on the efficient synthesis of estrone possessing pyran, pyrimidine and thiazole ring systems. This study focused on the synthesis and biochemical evaluation of newly synthesized heterocyclic compounds which were then subjected through inhibitory evaluations towards human cancer and normal cell lines.

Keywords: estrone, heterocyclization, cytotoxicity, biomedicine

Procedia PDF Downloads 261

Authors: Zatil Afifah Omar, Siti Nur Izati Azmi, Kathi Swaran, Navin Kumar

Abstract:

Lost circulation has always been one of the greatest problems faced by drilling companies during drilling operations due to excessive drilling Fluids losses. Loss of circulation leads to Huge cost and non-productive time. The objective of this study is to evaluate the sealing efficiency of a proprietary blend of synthetic rubber as loss circulation material in comparison with a conventional product such as calcium carbonate, graphite, cellulosic, and nutshells. Sand Bed Tester with a different proprietary blend of synthetic rubber compositions has been used to determine the effectiveness of the LCM in preventing drilling fluids losses in a lab scale. Test results show the proprietary blend of synthetic rubber have good bridging properties and sealing Off fractures of various sizes. The finish product is environmentally friendly with lower production lead time and lower production cost compared to current conventional loss circulation materials used in current drilling operations.

Keywords: loss circulation materials, drilling operation, sealing efficiency, LCM

Procedia PDF Downloads 157

Authors: Ashkan Shafee, Ahamd Fahimifar, Sajjad V. Maghvan

Abstract:

Promotion of the Fiber Reinforced Concrete (FRC) as a construction material for civil engineering projects has invoked numerous researchers to investigate their mechanical behavior. Even though there is satisfactory information about the effects of fiber type and length, concrete mixture, casting type and other variables on the strength and deformability parameters of FRC, the numerical modeling of such materials still needs research attention. The focus of this study is to investigate the feasibility of Concrete Damaged Plasticity (CDP) model in prediction of Macro-synthetic FRC structures behavior. CDP model requires the tensile behavior of concrete to be well characterized. For this purpose, a series of uniaxial direct tension and four point bending tests were conducted on the notched specimens to define bilinear tension softening (post-peak tension stress-strain) behavior. With these parameters obtained, the flexural behavior of macro-synthetic FRC beams were modeled and the results showed a good agreement with the experimental measurements.

Keywords: concrete damaged plasticity, fiber reinforced concrete, finite element modeling, macro-synthetic fibers, uniaxial tensile test

Procedia PDF Downloads 386

Authors: Ji Hun Choi, Seung Un Chae, Kyeong Suk Cho

Abstract:

Synthetic resins are widely used in various fields including electricity, engineering, construction and agriculture. Many of interior and exterior finishing materials for buildings are synthetic resin products. In this study, full-scale fire tests were conducted on polyvinyl chloride, polypropylene and urethane in accordance with the “ISO 9705: Fire test - Full-scale room test for surface products” to measure heat release rate, toxic gas emission and smoke production rate. Based on the tests, fire growth pattern and fire risk were analyzed. Findings from the tests conducted on polyvinyl chloride and urethane are as follows. The total heat release rate and total smoke production rate of polyvinyl chloride were 98.89MW and 5284.41m2, respectively and its highest CO2 concentration was 0.149%. The values obtained from the test with urethane were 469.94 MW, 3396.28 m2 and 1.549%. While heat release rate and CO2 concentration were higher in urethane implying its high combustibility, smoke production rate was 1.5 times higher in polyvinyl chloride. Follow-up tests are planned to be conducted to accumulate data for the evaluation of heat emission and fire risk associated with synthetic resins.

Keywords: synthetic resins, fire test, full-scale test, heat release rate, smoke production rate, polyvinyl chloride, polypropylene, urethane

Procedia PDF Downloads 400

Authors: Baltazar Ndakidemi

Abstract:

The resource-constrained farmers, especially those in sub-Saharan Africa, encounter significant challenges related to agriculture, notably diseases and pests. The sustainable means of pest management are not well known to farmers. As a result, some farmers use synthetic pesticides whose environmental impacts, ill health, and other negative impacts of synthetic pesticides on natural enemies have posed a great need for more sustainable means of pest management. Pesticidal plant resources can replace synthetic pesticides because their secondary metabolites can exhibit insecticidal activities such as deterrence, repellence, and pests' mortality. Additionally, the volatiles from these plants can have positive effects of attracting populations of natural enemies. Pesticidal plants can be grown as field margin plants or in strips for supporting natural enemies' populations. However, this is practically undetermined. Hence, there is a need to investigate the roles played by pesticidal plants in supporting natural enemies of pests and their applications in different cropping systems such as legumes. This study investigates different pesticidal plants with a high potential for pest control in agricultural fields. The information sheds light on potential plants that can be used for different crop pests.

Keywords: natural enemies, biological control, synthetic pesticides, pesticidal plants, predators, parasitoids

Procedia PDF Downloads 33

Authors: A. Altomi, A. Alhebshi, M. Rasm, B. Osman

Abstract:

This study explored the application of chitin nanocrystals (ChiNCs), derived from a renewable and environmentally friendly material, as stabilizers for oil-in-water (O/W) emulsions. O/W emulsions are commonly used in various applications but are prone to instability and degradation over time. Instability can occur due to factors such as flocculation, coalescence, and gravitational separation, including creaming and sedimentation, either independently or simultaneously. To produce ChiNCs, chitin powder underwent acid hydrolysis. Transmission electron microscopy (TEM) analysis revealed that ChiNCs exhibited a needle-like morphology, with lengths ranging from 200 to 800 nm and widths ranging from 20 to 80 nm. The surface charge of ChiNCs was negative at pH values above 7 and positive at pH values below 7. The rheological properties of O/W emulsions stabilized by ChiNCs were compared to those stabilized by synthetic surfactants, namely Tween 80 and CTAB. The emulsions stabilized by ChiNCs demonstrated higher yield stress and lower shear viscosity compared to those stabilized by synthetic surfactants. This indicates that ChiNC-stabilized emulsions are more stable and less prone to breakdown. Based on these findings, ChiNCs show promise as an alternative to synthetic surfactants for stabilizing O/W emulsions.

Keywords: chitin nanocrystals, colloidal pickering, emulsion rheology, oil-in-water, synthetic surfactant

Procedia PDF Downloads 18

Authors: Natalia V. Beloglazova, Pieterjan Lenain, Martin Hedstrom, Dietmar Knopp, Sarah De Saeger

Abstract:

In recent years polycyclic aromatic hydrocarbons (PAHs), which represent a hazard to humans and entire ecosystem, have been receiving an increased interest due to their mutagenic, carcinogenic and endocrine disrupting properties. They are formed in all incomplete combustion processes of organic matter and, as a consequence, ubiquitous in the environment. Benzo(a)pyrene (BaP) is on the priority list published by the Environmental Agency (US EPA) as the first PAH to be identified as a carcinogen and has often been used as a marker for PAHs contamination in general. It can be found in different types of water samples, therefore, the European Commission set up a limit value of 10 ng L–1 (10 ppt) for BAP in water intended for human consumption. Generally, different chromatographic techniques are used for PAHs determination, but these assays require pre-concentration of analyte, create large amounts of solvent waste, and are relatively time consuming and difficult to perform on-site. An alternative robust, stand-alone, and preferably cheap solution is needed. For example, a sensing unit which can be submerged in a river to monitor and continuously sample BaP. An affinity sensor based on capacitive transduction was developed. Natural antibodies or their synthetic analogues can be used as ligands. Ideally the sensor should operate independently over a longer period of time, e.g. several weeks or months, therefore the use of molecularly imprinted polymers (MIPs) was discussed. MIPs are synthetic antibodies which are selective for a chosen target molecule. Their robustness allows application in environments for which biological recognition elements are unsuitable or denature. They can be reused multiple times, which is essential to meet the stand-alone requirement. BaP is a highly lipophilic compound and does not contain any functional groups in its structure, thus excluding non-covalent imprinting methods based on ionic interactions. Instead, the MIPs syntheses were based on non-covalent hydrophobic and π-π interactions. Different polymerization strategies were compared and the best results were demonstrated by the MIPs produced using electropolymerization. 4-vinylpyridin (VP) and divinylbenzene (DVB) were used as monomer and cross-linker in the polymerization reaction. The selectivity and recovery of the MIP were compared to a non-imprinted polymer (NIP). Electrodes were functionalized with natural receptor (monoclonal anti-BaP antibody) and with MIPs selective towards BaP. Different sets of electrodes were evaluated and their properties such as sensitivity, selectivity and linear range were determined and compared. It was found that both receptor can reach the cut-off level comparable to the established ML, and despite the fact that the antibody showed the better cross-reactivity and affinity, MIPs were more convenient receptor due to their ability to regenerate and stability in river till 7 days.

Keywords: antibody, benzo(a)pyrene, capacitive sensor, MIPs, river water

Procedia PDF Downloads 281

Authors: Karla Lienau, Rafael Müller, René Moré, Debora Ressnig, Dan Cook, Richard Walton, Greta R. Patzke

Abstract:

The increasing demand for renewable energy sources and storable fuels underscores the high potential of artificial photosynthesis. The four electron transfer process of water oxidation remains the bottleneck of water splitting, so that special emphasis is placed on the development of economic, stable and efficient water oxidation catalysts (WOCs). Our investigations introduced cobalt carbodiimide CoNCN and its transition metal analogues as WOC types, and further studies are focused on the interaction of different transition metals in the convenient all-nitrogen/carbon matrix. This provides further insights into the nature of the ‘true catalyst’ for cobalt centers in this non-oxide environment. Water oxidation activity is evaluated with complementary methods, namely photocatalytically using a Ru-dye sensitized standard setup as well as electrocatalytically, via immobilization of the WOCs on glassy carbon electrodes. To further explore the tuning potential of transition metal combinations, complementary investigations were carried out in oxidic spinel WOC matrices with more versatile host options than the carbodiimide framework. The influence of the preparative history on the WOC performance was evaluated with different synthetic methods (e.g. hydrothermally or microwave assisted). Moreover, the growth mechanism of nanoscale Co3O4-spinel as a benchmark WOC was investigated with in-situ PXRD techniques.

Keywords: carbodiimide, photocatalysis, spinels, water oxidation

Procedia PDF Downloads 257

Authors: Najoua El Hajjaji El Idrissi, Necip Gokhan Kasapoglu

Abstract:

Polarimetric Synthetic Aperture Radar-based imaging is a powerful technique used for earth observation and classification of surfaces. Forest evolution has been one of the vital areas of attention for the remote sensing experts. The information about forest areas can be achieved by remote sensing, whether by using active radars or optical instruments. However, due to several weather constraints, such as cloud cover, limited information can be recovered using optical data and for that reason, Polarimetric Synthetic Aperture Radar (PolSAR) is used as a powerful tool for forestry inventory. In this [14paper, we applied support vector machine (SVM) and Mahalanobis distance to the fully polarimetric AIRSAR P, L, C-bands data from the Nezer forest areas, the classification is based in the separation of different tree ages. The classification results were evaluated and the results show that the SVM performs better than the Mahalanobis distance and SVM achieves approximately 75% accuracy. This result proves that SVM classification can be used as a useful method to evaluate fully polarimetric SAR data with sufficient value of accuracy.

Keywords: classification, synthetic aperture radar, SAR polarimetry, support vector machine, mahalanobis distance

Procedia PDF Downloads 99

Authors: Ergun Sakalar, Kubra Bilgic

Abstract:

In the last decades, real-time PCR has become a reliable tool preferred to use in many laboratories for pathogen detection. This technique allows for monitoring target amplification via fluorescent molecules besides admit of quantitative analysis by enabling of convert outcomes of thermal cycling to digital data. Sensitivity and traceability of real-time PCR are based on measuring of fluorescence that appears only when fluorescent reporter dye bound to specific target DNA.The fluorescent reporter systems developed for this purpose are divided into two groups. The first group consists of intercalator fluorescence dyes such as SYBR Green, EvaGreen which binds to double-stranded DNA. On the other hand, the second group includes fluorophore-labeled oligonucleotide probes that are separated into three subgroups due to differences in mechanism of action; initial primer-probes such as Cyclicons, Angler®, Amplifluor®, LUX™, Scorpions, and the second one hydrolysis probes like TaqMan, Snake assay, finally hybridization probes, for instance, Molecular Beacons, Hybprobe/FRET, HyBeacon™, MGB-Eclipse, ResonSense®, Yin-Yang, MGB-Pleiades. In addition nucleic acid analogues, an increase of probe affinity to target site is also employed with fluorescence-labeled probes. Consequently, abundant real-time PCR detection chemistries are chosen by researcher according to the field of application, mechanism of action, advantages, and proper structures of primer/probes.

Keywords: fluorescent dye, food safety, molecular probes, nucleic acid analogues

Procedia PDF Downloads 216

Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

Abstract:

Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

Procedia PDF Downloads 144

Authors: Iram Siddique

Abstract:

Synthetic seed technology is an alternative to traditional micropropagation for production and delivery of cloned plantlets. Synthetic seeds were produced by encapsulating nodal segments of C. angustifolia in calcium alginate gel. 3% (w/v) sodium alginate and 100 mM CaCl2. 2H2O were found most suitable for encapsulation of nodal segments. Synthetic seeds cultured on half strength Murashige and Skoog (MS) medium supplemented with thidiazuron (5.0 µM) + indole -3- acetic acid (1.0 µM) produced maximum number of shoots (10.9 ± 0.78) after 8 weeks of culture exhibiting (78%) in vitro conversion response. Encapsulated nodal segments demonstrated successful regeneration after different period (1-6 weeks) of cold storage at 4 °C. The synthetic seeds stored at 4 °C for a period of 4 weeks resulted in maximum conversion frequency (93%) after 8 weeks when placed back to regeneration medium. The isolated shoots when cultured on half strength MS medium supplemented with 1.0 µM indole -3- butyric acid (IBA), produced healthy roots and plantlets with well developed shoot and roots were successfully hardened off in plastic pots containing sterile soilrite inside the growth chamber and gradually transferred to greenhouse where they grew well with 85% survival rate. Changes in the content of photosynthetic pigments, net photosynthetic rate (PN), superoxide dismutase (SOD) and catalase (CAT) activity in C. angustifolia indicated the adaptation of micropropagated plants to ex vitro conditions.

Keywords: biochemical studies, nodal segments, rooting, synthetic seeds, thidiazuron

Procedia PDF Downloads 333

Authors: C. Paglia, C. Mosca

Abstract:

Synthetic resin floorsare often used in sport infrastructure. These organic materials are often in contact with a bituminous substrate, which in turn is placed on the ground. In this work, the damage of a basket resin field surface was characterized by means of visual inspection, optical microscopy, resin thickness measurements, adhesion strength, water vapor transmission capacity, capillary water adsorption, granulometry of the bituminous conglomerate, the surface properties, and the water ground infiltration speed. The infiltration speed indicates water pemeability. This was due to its composition: clean sand mixed with gravel. Relatively good adhesion was present between the synthetic resin and the bituminous layer. The adhesion resistance of the bituminous layer was relatively low. According to the required bitumoniousasphalt-concrete mixes AC 11 S, the placed material was more porous. Insufficient constipation was present. The spaces values were above the standard limits, while the apparent densities were lower compared to the conventional AC 11 mixtures. The microstructure outlines the high permeability and porosity of the bituminous layer. The synthetic resin wasvapourproof and did not exhibit capillary adsorption. It exhibited a lower thickness as required, and no multiple placing steps were observed. Multiple cavities were detected along with the interface between the bituminous layer and the resin coating with no intermediate layers. The layer for the pore filling in the bituminous surface was not properly applied. The swelling bubbles on the synthetic pavement were caused by the humidity in the bituminous layer. Water or humidity were present prior to the application of the resin, and the effect was worsened by the upward movement of the water from the ground.

Keywords: resin, floor, damage, durability

Procedia PDF Downloads 134

Authors: Udit Mohanty, Mari Lundstrom

Abstract:

Electrochemical investigation by cyclic voltammetry was conducted to explore the polarization behavior of reactions occurring in nickel electrowinning in presence of cationic impurities such as Ca2+ (0-100 mg/L), Na+ (1-10 g/L) and Mg2+ (10-100 mg/L). A comparative study was devised between industrial and synthetic electrolytes to observe the shift in the nucleation overpotentials of nickel deposition, dissolution and hydrogen evolution reactions at the cathode and anode respectively. Significant polarization of cathodic reactions were observed with concentrations of Na ≥ 8g /L and Ca ≤ 40 mg /L in the synthetic electrolytes. Nevertheless, a progressive increase in the concentration of Ca, Mg and Na in the industrial electrolyte demonstrated a depolarization behavior in the cathodic reactions related to nickel deposition and/or hydrogen evolution. Synergistic effect of Ca with Mg and Na in both the industrial and synthetic electrolytes induced a notable depolarization effect, also reflected in the peak currents.

Keywords: cationic impurities, cyclic voltammetry, electrowinning, nickel, polarization

Procedia PDF Downloads 216

Authors: Turan Çalban, Oral Laçin, Abdüsselam Kurtbaş

Abstract:

The experimental production methods Chevreul’s salt being a intermediate stage product for copper recovery were investigated by dealing with the articles written on this topic. Chevreul’s salt, Cu2SO3.CuSO3.2H2O, being a mixed valence copper sulphite compound has been obtained by using different methods and reagents. Chevreul’s salt has a intense brick-red color. It is a highly stable and expensive salt. The production of Chevreul’s salt plays a key role in hiydrometallurgy. In recent years, researchs on this compound have been intensified. Silva et al. reported that this salt is thermally stable up to 200oC. Çolak et al. precipitated the Chevreul’s salt by using ammonia and sulphur dioxide. Çalban et al. obtained at the optimum conditions by passing SO2 from leach solutions with NH3-(NH4)2SO4. Yeşiryurt and Çalban investigated the optimum precipitation conditions of Chevreul’s salt from synthetic CuSO4 solutions including Na2SO3. Çalban et al. achieved the precipitation of Chevreul’s salt at the optimum conditions by passing SO2 from synthetic CuSO4 solutions. Çalban et al. examined the precipitation conditions of Chevreul’s salt using (NH4)2SO3 from synthetic aqueous CuSO4 solutions. In light of these studies, it can be said that Chevreul’s salt can be produced practically from both a leach solutions including copper and synthetic CuSO4 solutions.

Keywords: Chevreul’s salt, ammonia, copper sulpfite, sodium sülfite, optimum conditions

Procedia PDF Downloads 244