Search results for: natural ion exchange
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 7225

Search results for: natural ion exchange

4945 Synthesis of Functionalized-2-Aryl-2, 3-Dihydroquinoline-4(1H)-Ones via Fries Rearrangement of Azetidin-2-Ones

Authors: Parvesh Singh, Vipan Kumar, Vishu Mehra

Abstract:

Quinoline-4-ones represent an important class of heterocyclic scaffolds that have attracted significant interest due to their various biological and pharmacological activities. This heterocyclic unit also constitutes an integral component in drugs used for the treatment of neurodegenerative diseases, sleep disorders and in antibiotics viz. norfloxacin and ciprofloxacin. The synthetic accessibility and possibility of fictionalization at varied positions in quinoline-4-ones exemplifies an elegant platform for the designing of combinatorial libraries of functionally enriched scaffolds with a range of pharmacological profles. They are also considered to be attractive precursors for the synthesis of medicinally imperative molecules such as non-steroidal androgen receptor antagonists, antimalarial drug Chloroquine and martinellines with antibacterial activity. 2-Aryl-2,3-dihydroquinolin-4(1H)-ones are present in many natural and non-natural compounds and are considered to be the aza-analogs of favanones. The β-lactam class of antibiotics is generally recognized to be a cornerstone of human health care due to the unparalleled clinical efficacy and safety of this type of antibacterial compound. In addition to their biological relevance as potential antibiotics, β-lactams have also acquired a prominent place in organic chemistry as synthons and provide highly efficient routes to a variety of non-protein amino acids, such as oligopeptides, peptidomimetics, nitrogen-heterocycles, as well as biologically active natural and unnatural products of medicinal interest such as indolizidine alkaloids, paclitaxel, docetaxel, taxoids, cyptophycins, lankacidins, etc. A straight forward route toward the synthesis of quinoline-4-ones via the triflic acid assisted Fries rearrangement of N-aryl-βlactams has been reported by Tepe and co-workers. The ring expansion observed in this case was solely attributed to the inherent ring strain in β-lactam ring because -lactam failed to undergo rearrangement under reaction conditions. Theabovementioned protocol has been recently extended by our group for the synthesis of benzo[b]-azocinon-6-ones via a tandem Michael addition–Fries rearrangement of sorbyl anilides as well as for the single-pot synthesis of 2-aryl-quinolin-4(3H)-ones through the Fries rearrangement of 3-dienyl-βlactams. In continuation with our synthetic endeavours with the β-lactam ring and in view of the lack of convenient approaches for the synthesis of C-3 functionalized quinolin-4(1H)-ones, the present work describes the single-pot synthesis of C-3 functionalized quinolin-4(1H)-ones via the trific acid promoted Fries rearrangement of C-3 vinyl/isopropenyl substituted β-lactams. In addition, DFT calculations and MD simulations were performed to investigate the stability profles of synthetic compounds.

Keywords: dihydroquinoline, fries rearrangement, azetidin-2-ones, quinoline-4-ones

Procedia PDF Downloads 250
4944 The Integration of Patient Health Record Generated from Wearable and Internet of Things Devices into Health Information Exchanges

Authors: Dalvin D. Hill, Hector M. Castro Garcia

Abstract:

A growing number of individuals utilize wearable devices on a daily basis. The usage and functionality of these wearable devices vary from user to user. One popular usage of said devices is to track health-related activities that are typically stored on a device’s memory or uploaded to an account in the cloud; based on the current trend, the data accumulated from the wearable device are stored in a standalone location. In many of these cases, this health related datum is not a factor when considering the holistic view of a user’s health lifestyle or record. This health-related data generated from wearable and Internet of Things (IoT) devices can serve as empirical information to a medical provider, as the standalone data can add value to the holistic health record of a patient. This paper proposes a solution to incorporate the data gathered from these wearable and IoT devices, with that a patient’s Personal Health Record (PHR) stored within the confines of a Health Information Exchange (HIE).

Keywords: electronic health record, health information exchanges, internet of things, personal health records, wearable devices, wearables

Procedia PDF Downloads 128
4943 Monitoring the Change of Padma River Bank at Faridpur, Bangladesh Using Remote Sensing Approach

Authors: Ilme Faridatul, Bo Wu

Abstract:

Bangladesh is often called as a motherland of rivers. It contains about 700 rivers among all these the Padma River is one of the largest rivers of Bangladesh. The change of river bank and erosion has become a common environmental natural hazard in Bangladesh. The river banks are under intense pressure from natural processes such as erosion and accretion as well as anthropogenic processes such as urban growth and pollution. The Padma River is flowing along ten districts of Bangladesh among all these Faridpur district is most vulnerable to river bank erosion. The severity of the river erosion is so high that each year a thousand of populations become homeless and lose their agricultural lands. Though the Faridpur district is most vulnerable to river bank erosion no specific research has been conducted to identify the changing pattern of river bank along this district. The outcome of the research may serve as guidance to prepare river bank monitoring program and management. This research has utilized integrated techniques of remote sensing and geographic information system to monitor the changes from 1995 to 2015 at Faridpur district. To discriminate the land water interface Modified Normalized Difference Water Index (MNDWI) algorithm is applied and on screen digitization approach is used over MNDWI images of 1995, 2002 and 2015 for river bank line extraction. The extent of changes in the river bank along Faridpur district is estimated through overlaying the digitized maps of all three years. The river bank lines are highlighted to infer the erosion and accretion and the changes are calculated. The result shows that the middle of the river is gaining land through sedimentation and the both side river bank is shifting causing severe erosion that consequently resulting the loss of farmland and homestead. Over the study period from 1995 to 2015 it witnessed huge erosion and accretion that played an active role in the changes of the river bank.

Keywords: river bank, erosion and accretion, change monitoring, remote sensing

Procedia PDF Downloads 325
4942 Cotton Treated with Spent Coffee Extract for Realizing Functional Textiles

Authors: Kyung Hwa Hong

Abstract:

The objective of this study was to evaluate the ability of spent coffee extract to enhance the antioxidant and antimicrobial properties of cotton fabrics. The emergence and spread of infectious diseases has raised a global interest in the antimicrobial substances. The safety of chemical agents, such as antimicrobials and dyes, which may irritate the skin, cause cellular and organ damage, and have adverse environmental impacts during their manufacturing, in relation to the human body has not been established. Nevertheless, there is a growing interest in natural antimicrobials that kill microorganisms or stop their growth without dangerous effects on human health. Spent coffee is the by-product of coffee brewing and amounted to 96,000 tons worldwide in 2015. Coffee components such as caffeine, melanoidins, and chlorogenic acid have been reported to possess multifunctional properties, including antimicrobial, antioxidant, and anti-inflammatory activities. Therefore, the current study examined the possibility of applying spent coffee in functional textile finishing. Spent coffee was extracted with 60% methanol solution, and the major components of the extract were quantified. In addition, cotton fabrics treated with spent coffee extract through a pad-dry-cure process were investigated for antioxidant and antimicrobial activities. The cotton fabrics finished with the spent coffee extract showed an increase in yellowness, which is an unfavorable outcome from the fabric finishing process. However, the cotton fabrics finished with the spent coffee extract exhibited considerable antioxidant activity. In particular, the antioxidant ability significantly increased with increasing concentrations of the spent coffee extract. The finished cotton fabrics showed antimicrobial ability against S. aureus but relatively low antimicrobial ability against K. pneumoniae. Therefore, further investigations are needed to determine the appropriate concentration of spent coffee extract to inhibit the growth of various pathogenic bacteria.

Keywords: spent coffee grounds, cotton, natural finishing agent, antioxidant activity, antimicrobial activity

Procedia PDF Downloads 166
4941 Antioxidant and Cytotoxic Effects of Different Extracts of Fruit Peels Against Three Cancer Cell Lines

Authors: Emad A. Shalaby

Abstract:

Cancer is a disease that causes abnormal cell proliferation and invades nearby tissues. Lung cancer is the second most frequent cancer worldwide. Natural anti-cancer drugs have been developed with low side effects and toxicity. Citrus peels and extracts have been demonstrated to have significant pharmacological and physiological effects as a result of the high concentration of phenolic compounds found in citrus fruits, particularly peels. Tangerine peels can serve as an effective source of bioactive substances such as phenolics, flavonoids, and catechins, which have antioxidant, antibacterial, anticancer, and anti-inflammatory properties. Consequently, this work aims to determine the anticancer activity of ethanol extract of Tangerine peels against the A549 cell line and identify the phenolic compound profile (19 compounds) by using HPLC. Anticancer and antioxidant potentials of the extract were evaluated by MTT assay and TLC- TLC-bioautography sprayed with DPPH reagent, respectively. The obtained results revealed that tangerine peel extract showed significant activity against the A549 cell line with IC50 of 97.66 μg/mL. HPLC analysis proved that the highest concentration is naringenin 464.05 mg/g. More studies indicate that naringenin has significant anticancer potential on A549 cancer cells. The results showed that naringenin binds t0 EGFR protein in A549 with high binding affinity and thus may reduce lung cancer cell migration and enhance the apoptosis of cancer cells. From the obtained results it could be concluded that tangerine peel extract is an effective anti-cancer agent that may potentially serve as a natural therapeutic option for lung cancer treatment.

Keywords: tangerine peel, A549 cell line, anticancer, naringenin, HPLC analysis, naringenin, TLC bioautography

Procedia PDF Downloads 62
4940 Vulnerability Assessment of Vertically Irregular Structures during Earthquake

Authors: Pranab Kumar Das

Abstract:

Vulnerability assessment of buildings with irregularity in the vertical direction has been carried out in this study. The constructions of vertically irregular buildings are increasing in the context of fast urbanization in the developing countries including India. During two reconnaissance based survey performed after Nepal earthquake 2015 and Imphal (India) earthquake 2016, it has been observed that so many structures are damaged due to the vertically irregular configuration. These irregular buildings are necessary to perform safely during seismic excitation. Therefore, it is very urgent demand to point out the actual vulnerability of the irregular structure. So that remedial measures can be taken for protecting those structures during natural hazard as like earthquake. This assessment will be very helpful for India and as well as for the other developing countries. A sufficient number of research has been contributed to the vulnerability of plan asymmetric buildings. In the field of vertically irregular buildings, the effort has not been forwarded much to find out their vulnerability during an earthquake. Irregularity in vertical direction may be caused due to irregular distribution of mass, stiffness and geometrically irregular configuration. Detailed analysis of such structures, particularly non-linear/ push over analysis for performance based design seems to be challenging one. The present paper considered a number of models of irregular structures. Building models made of both reinforced concrete and brick masonry are considered for the sake of generality. The analyses are performed with both help of finite element method and computational method.The study, as a whole, may help to arrive at a reasonably good estimate, insight for fundamental and other natural periods of such vertically irregular structures. The ductility demand, storey drift, and seismic response study help to identify the location of critical stress concentration. Summarily, this paper is a humble step for understanding the vulnerability and framing up the guidelines for vertically irregular structures.

Keywords: ductility, stress concentration, vertically irregular structure, vulnerability

Procedia PDF Downloads 229
4939 Effects of Financial and Non-Financial Accounting Information Reports on Corporate Credibility and Image of the Listed-Firms in Thailand

Authors: Anocha Rojanapanich

Abstract:

This research investigates the effect of financial accounting information and non-financial accounting reports on corporate credibility via strength of board of directors and market environment volatility as moderating effect. Data in this research is collected by questionnaire form non-financial companies listed on the Stock Exchange of Thailand. Multiple regression statistic technique is used for analyzing the data. Results find that firms with greater financial accounting information reports and non-financial accounting information reports will gain greater corporate credibility. Therefore, the corporate reporting has the value for the firms. Moreover, the strength of board of directors will positively moderate the financial and non-financial accounting information reports and corporate credibility relationship. And market environment volatility will negatively moderate the financial and nonfinancial accounting information reports and corporate credibility relationship and the contribution of accounting information reports on corporate credibility is generated to the corporate image. That is the corporate image has affected by corporate credibility.

Keywords: corporate credibility, financial and non-financial reports, firms performance, corporate image

Procedia PDF Downloads 298
4938 Document-level Sentiment Analysis: An Exploratory Case Study of Low-resource Language Urdu

Authors: Ammarah Irum, Muhammad Ali Tahir

Abstract:

Document-level sentiment analysis in Urdu is a challenging Natural Language Processing (NLP) task due to the difficulty of working with lengthy texts in a language with constrained resources. Deep learning models, which are complex neural network architectures, are well-suited to text-based applications in addition to data formats like audio, image, and video. To investigate the potential of deep learning for Urdu sentiment analysis, we implemented five different deep learning models, including Bidirectional Long Short Term Memory (BiLSTM), Convolutional Neural Network (CNN), Convolutional Neural Network with Bidirectional Long Short Term Memory (CNN-BiLSTM), and Bidirectional Encoder Representation from Transformer (BERT). In this study, we developed a hybrid deep learning model called BiLSTM-Single Layer Multi Filter Convolutional Neural Network (BiLSTM-SLMFCNN) by fusing BiLSTM and CNN architecture. The proposed and baseline techniques are applied on Urdu Customer Support data set and IMDB Urdu movie review data set by using pre-trained Urdu word embedding that are suitable for sentiment analysis at the document level. Results of these techniques are evaluated and our proposed model outperforms all other deep learning techniques for Urdu sentiment analysis. BiLSTM-SLMFCNN outperformed the baseline deep learning models and achieved 83%, 79%, 83% and 94% accuracy on small, medium and large sized IMDB Urdu movie review data set and Urdu Customer Support data set respectively.

Keywords: urdu sentiment analysis, deep learning, natural language processing, opinion mining, low-resource language

Procedia PDF Downloads 72
4937 Plant Growth, Symbiotic Performance and Grain Yield of 63 Common Bean Genotypes Grown Under Field Conditions at Malkerns Eswatini

Authors: Rotondwa P. Gunununu, Mustapha Mohammed, Felix D. Dakora

Abstract:

Common bean is the most importantly high protein grain legume grown in Southern Africa for human consumption and income generation. Although common bean can associate with rhizobia to fix N₂ for bacterial use and plant growth, it is reported to be a poor nitrogen fixer when compared to other legumes. N₂ fixation can vary with legume species, genotype and rhizobial strain. Therefore, screening legume germplasm can reveal rhizobia/genotype combinations with high N₂-fixing efficiency for use by farmers. This study assessed symbiotic performance and N₂ fixation in 63 common bean genotypes under field conditions at Malkerns Station in Eswatini, using the ¹⁵N natural abundance technique. The shoots of common bean genotypes were sampled at a pod-filling stage, oven-dried (65oC for 72h), weighed, ground into a fine powder (0.50 mm sieve), and subjected to ¹⁵N/¹⁴N isotopic analysis using mass spectrometry. At maturity, plants from the inner rows were harvested for the determination of grain yield. The results revealed significantly higher modulation (p≤0.05) in genotypes MCA98 and CIM-RM01-97-8 relative to the other genotypes. Shoot N concentration was highest in genotype MCA 98, followed by KAB 10 F2.8-84, with most genotypes showing shoot N concentrations below 2%. Percent N derived from atmospheric N₂ fixation (%Ndfa) differed markedly among genotypes, with CIM-RM01-92-3 and DAB 174, respectively, recording the highest values of 66.65% and 66.22 % N derived from fixation. There were also significant differences in grain yield, with CIM-RM02-79-1 producing the highest yield (3618.75 kg/ha). These results represent an important contribution in the profiling of symbiotic functioning of common bean germplasm for improved N₂ fixation.

Keywords: nitrogen fixation, %Ndfa, ¹⁵N natural abundance, grain yield

Procedia PDF Downloads 218
4936 The Pressure Effect and First-Principles Study of Strontium Chalcogenides SrS

Authors: Benallou Yassine, Amara Kadda, Bouazza Boubakar, Soudini Belabbes, Arbouche Omar, M. Zemouli

Abstract:

The study of the pressure effect on the materials, their functionality and their properties is very important, insofar as it provides the opportunity to identify others applications such the optical properties in the alkaline earth chalcogenides, as like the SrS. Here we present the first-principles calculations which have been performed using the full potential linearized augmented plane wave method (FP-LAPW) within the Generalized Gradient Approximation developed by Perdew–Burke–Ernzerhor for solids (PBEsol). The calculated structural parameters like the lattice parameters, the bulk modulus B and their pressure derivative B' are in reasonable agreement with the available experimental and theoretical data. In addition, the elastic properties such as elastic constants (C11, C12, and C44), the shear modulus G, the Young modulus E, the Poisson’s ratio ν and the B/G ratio are also given. The treatments of exchange and correlation effects were done by the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential for the electronic. The pressure effect on the electronic properties was visualized by calculating the variations of the gap as a function of pressure. The obtained results are compared to available experimental data and to other theoretical calculations

Keywords: SrS, GGA-PBEsol+TB-MBJ, density functional, Perdew–Burke–Ernzerhor, FP-LAPW, pressure effect

Procedia PDF Downloads 569
4935 Detecting Indigenous Languages: A System for Maya Text Profiling and Machine Learning Classification Techniques

Authors: Alejandro Molina-Villegas, Silvia Fernández-Sabido, Eduardo Mendoza-Vargas, Fátima Miranda-Pestaña

Abstract:

The automatic detection of indigenous languages ​​in digital texts is essential to promote their inclusion in digital media. Underrepresented languages, such as Maya, are often excluded from language detection tools like Google’s language-detection library, LANGDETECT. This study addresses these limitations by developing a hybrid language detection solution that accurately distinguishes Maya (YUA) from Spanish (ES). Two strategies are employed: the first focuses on creating a profile for the Maya language within the LANGDETECT library, while the second involves training a Naive Bayes classification model with two categories, YUA and ES. The process includes comprehensive data preprocessing steps, such as cleaning, normalization, tokenization, and n-gram counting, applied to text samples collected from various sources, including articles from La Jornada Maya, a major newspaper in Mexico and the only media outlet that includes a Maya section. After the training phase, a portion of the data is used to create the YUA profile within LANGDETECT, which achieves an accuracy rate above 95% in identifying the Maya language during testing. Additionally, the Naive Bayes classifier, trained and tested on the same database, achieves an accuracy close to 98% in distinguishing between Maya and Spanish, with further validation through F1 score, recall, and logarithmic scoring, without signs of overfitting. This strategy, which combines the LANGDETECT profile with a Naive Bayes model, highlights an adaptable framework that can be extended to other underrepresented languages in future research. This fills a gap in Natural Language Processing and supports the preservation and revitalization of these languages.

Keywords: indigenous languages, language detection, Maya language, Naive Bayes classifier, natural language processing, low-resource languages

Procedia PDF Downloads 16
4934 Simultaneous Adsorption and Characterization of NOx and SOx Emissions from Power Generation Plant on Sliced Porous Activated Carbon Prepared by Physical Activation

Authors: Muhammad Shoaib, Hassan M. Al-Swaidan

Abstract:

Air pollution has been a major challenge for the scientists today, due to the release of toxic emissions from various industries like power plants, desalination plants, industrial processes and transportation vehicles. Harmful emissions into the air represent an environmental pressure that reflects negatively on human health and productivity, thus leading to a real loss in the national economy. Variety of air pollutants in the form of carbon oxides, hydrocarbons, nitrogen oxides, sulfur oxides, suspended particulate material etc. are present in air due to the combustion of different types of fuels like crude oil, diesel oil and natural gas. Among various pollutants, NOx and SOx emissions are considered as highly toxic due to its carcinogenicity and its relation with various health disorders. In Kingdom of Saudi Arabia electricity is generated by burning of crude, diesel or natural gas in the turbines of electricity stations. Out of these three, crude oil is used extensively for electricity generation. Due to the burning of the crude oil there are heavy contents of gaseous pollutants like sulfur dioxides (SOx) and nitrogen oxides (NOx), gases which are ultimately discharged in to the environment and is a serious environmental threat. The breakthrough point in case of lab studies using 1 gm of sliced activated carbon adsorbant comes after 20 and 30 minutes for NOx and SOx, respectively, whereas in case of PP8 plant breakthrough point comes in seconds. The saturation point in case of lab studies comes after 100 and 120 minutes and for actual PP8 plant it comes after 60 and 90 minutes for NOx and SOx adsorption, respectively. Surface characterization of NOx and SOx adsorption on SAC confirms the presence of peaks in the FT-IR spectrum. CHNS study verifies that the SAC is suitable for NOx and SOx along with some other C and H containing compounds coming out from stack emission stream from the turbines of a power plant.

Keywords: activated carbon, flue gases, NOx and SOx adsorption, physical activation, power plants

Procedia PDF Downloads 347
4933 The Impact of Rising Architectural Façade in Improving Terms of the Physical Urban Ambience Inside the Free Space for Urban Fabric - the Street- Case Study the City of Biskra

Authors: Rami Qaoud, Alkama Djamal

Abstract:

When we ask about the impact of rising architectural façade in improving the terms physical urban ambiance inside the free space for urban fabric. Considered as bringing back life and culture values and civilization to these cities. And This will be the theme of this search. Where we have conducted the study about the relationship that connects the empty and full of in the urban fabric in terms of the density construction and the architectural elevation of its façade to street view. In this framework, we adopted in the methodology of this research the technical field experience. And according to three types of Street engineering(H≥2W, H=W, H≤0.5W). Where we conducted a field to raise the values of the physical ambiance according to three main axes of ambiance. The first axe 1 - Thermal ambiance. Where the temperature values were collected, relative humidity, wind speed, temperature of surfaces (the outer wall-ground). The second axe 2- Visual ambiance. Where we took the values of natural lighting levels during the daytime. The third axe 3- Acoustic ambiance . Where we take sound values during the entire day. That experience, which lasted for three consecutive days, and through six stations of measuring, where it has been one measuring station for each type of the street engineering and in two different way street. Through the obtained results and with the comparison of those values. We noticed the difference between this values and the three type of street engineering. Where the difference the calorific values of air equal 4 ° C , in terms of the visual ambiance the difference in the direct lighting natural periods amounted six hours between the three types of street engineering. As well in terms of sound ambience, registered a difference in values of up 15 (db) between the three types. This difference in values indicates The impact of rising architectural façade in improving the physical urban ambiance within the free field - street- for urban fabric.

Keywords: street, physical urban ambience, rising architectural façade, urban fabric

Procedia PDF Downloads 289
4932 Study of the Hydrochemical Composition of Canal, Collector-Drainage and Ground Waters of Kura-Araz Plain and Modeling by GIS Method

Authors: Gurbanova Lamiya

Abstract:

The Republic of Azerbaijan is considered a region with limited water resources, as up to 70% of surface water is formed outside the country's borders, and most of its territory is an arid (dry) climate zone. It is located at the lower limit of transboundary flows, which is the weakest source of natural water resources in the South Caucasus. It is essential to correctly assess the quality of natural, collector-drainage and groundwater of the area and their suitability for irrigation in order to properly carry out land reclamation measures, provide the normal water-salt regime, and prevent repeated salinization. Through the 141-km-long main Mil-Mugan collector, groundwater, household waste, and floodwaters generated during floods and landslides are poured into the Caspian Sea. The hydrochemical composition of the samples taken from the Sabir irrigation canal passing through the center of the Kura-Araz plain, the Main Mil-Mugan Collector, and the groundwater of the region, which we chose as our research object, were studied and the obtained results were compared by periods. A model is proposed that allows for a complete visualization of the primary materials collected for the study area. The practical use of the established digital model provides all possibilities. The practical use of the established digital model provides all possibilities. An extensive database was created with the ArcGis 10.8 package, using publicly available LandSat satellite images as primary data in addition to ground surveys to build the model. The principles of the construction of the geographic information system of modern GIS technology were developed, the boundary and initial condition of the research area were evaluated, and forecasts and recommendations were given.

Keywords: irrigation channel, groundwater, collector, meliorative measures

Procedia PDF Downloads 73
4931 3D Scaffolds Fabricated by Microfluidic Device for Rat Cardiomyocytes Observation

Authors: Chih-Wei Chao, Jiashing Yu

Abstract:

Microfluidic devices have recently emerged as promising tools for the fabrication of scaffolds for cell culture. To mimic the natural circumstances of organism for cells to grow, here we present three-dimensional (3D) scaffolds fabricated by microfluidics for cells cultivation. This work aims at investigating the behavior in terms of the viability and the proliferation capability of rat H9c2 cardiomyocytes in the gelatin 3D scaffolds by fluorescent images.

Keywords: microfluidic device, H9c2, tissue engineering, 3D scaffolds

Procedia PDF Downloads 422
4930 Sustainable Mangrove Environment and Biodiversity of Gastropods and Crabs: A Case Study on the Effect of Mangrove Replantation under Ecotourism and Restoration in Ko Libong, Trang, Thailand

Authors: Wah Wah Min

Abstract:

The relative abundance and diversities of gastropods and crabs were assessed for mangrove areas of Ko Libong, Kantang district, Trang, Thailand in June 2022. Two sample sites (I and II) were studied. The site I was replanted under ecotourism, whereas site II represented the protected natural restored mangroves. This study is aimed to assess faunal diversity and how it could become re-established and resemble to natural restored mangroves. There was one sample plot at each study site with the dimension (10m x 25m) in study site I and (20m x 30m) in site II. The sample was randomly taken from each plot by using a quadrate measuring at (1 m2) in site I and (3m2) in site II; there were four quadrates in total of each site. The species richness (S), Shannon Index (H’) and Evenness Index (J’), vegetative measurements and physico-chemical parameters were calculated for each site. Seventeen gastropod species belonged to 11 families and six crab species under two families, which were collected in both study sites. Overall, in gastropod species, the highest relative abundance of Nerita planospira exhibited (53.45%, category C) with lower population density (1.61 individuals/m2), whichwas observed in study site II and for crab species, Parasesarma plicatum (83.33%, category C) with lower population density (0.33 individuals/m2). The diversity indices of gastropod species at the study site I was calculated higher indicating by (S= 12, H’= 2.27, J’ and SDI=0.91) compared to study site II (S= 7, H’= 1.22, J’ and SDI=0.63, 0.62). For the crabs, (S= 4, H’=1.33, J’ and SDI=0.96, 0.9) in study site I and (S= 2, H’=0.64, J’ and SDI=0.92, 0.67) in site II. Overall, the higher species diversity indices of study site I can be categorized “very equally” with a very good category according to evenness criteria (>0.81). This can be gained by increasing restoration sites through an ecotourism replanting program for achieving the goals of sustainable development for mangrove conservation and long-term studies are required to confirm this hypothesis.

Keywords: biodiversity, ecotourism, restoration, population

Procedia PDF Downloads 123
4929 The Use of Geographic Information System Technologies for Geotechnical Monitoring of Pipeline Systems

Authors: A. G. Akhundov

Abstract:

Issues of obtaining unbiased data on the status of pipeline systems of oil- and oil product transportation become especially important when laying and operating pipelines under severe nature and climatic conditions. The essential attention is paid here to researching exogenous processes and their impact on linear facilities of the pipeline system. Reliable operation of pipelines under severe nature and climatic conditions, timely planning and implementation of compensating measures are only possible if operation conditions of pipeline systems are regularly monitored, and changes of permafrost soil and hydrological operation conditions are accounted for. One of the main reasons for emergency situations to appear is the geodynamic factor. Emergency situations are proved by the experience to occur within areas characterized by certain conditions of the environment and to develop according to similar scenarios depending on active processes. The analysis of natural and technical systems of main pipelines at different stages of monitoring gives a possibility of making a forecast of the change dynamics. The integration of GIS technologies, traditional means of geotechnical monitoring (in-line inspection, geodetic methods, field observations), and remote methods (aero-visual inspection, aero photo shooting, air and ground laser scanning) provides the most efficient solution of the problem. The united environment of geo information system (GIS) is a comfortable way to implement the monitoring system on the main pipelines since it provides means to describe a complex natural and technical system and every element thereof with any set of parameters. Such GIS enables a comfortable simulation of main pipelines (both in 2D and 3D), the analysis of situations and selection of recommendations to prevent negative natural or man-made processes and to mitigate their consequences. The specifics of such systems include: a multi-dimensions simulation of facilities in the pipeline system, math modelling of the processes to be observed, and the use of efficient numeric algorithms and software packets for forecasting and analyzing. We see one of the most interesting possibilities of using the monitoring results as generating of up-to-date 3D models of a facility and the surrounding area on the basis of aero laser scanning, data of aerophotoshooting, and data of in-line inspection and instrument measurements. The resulting 3D model shall be the basis of the information system providing means to store and process data of geotechnical observations with references to the facilities of the main pipeline; to plan compensating measures, and to control their implementation. The use of GISs for geotechnical monitoring of pipeline systems is aimed at improving the reliability of their operation, reducing the probability of negative events (accidents and disasters), and at mitigation of consequences thereof if they still are to occur.

Keywords: databases, 3D GIS, geotechnical monitoring, pipelines, laser scaning

Procedia PDF Downloads 189
4928 Solutions for Strengthening China-Japan-South Korea (CJK) Trilateral Cooperation: Focusing on the Management of Historical Conflicts

Authors: Yongmei Li, Chang-Gun Park

Abstract:

China-Japan-South Korea (CJK) trilateral cooperation has experienced historical challenges in recent years, which negatively influenced the development of their relationship. Results of the interviews with three citizens on trilateral relations illustrate that most people are concerned with the historical conflicts among CJK. This paper specifically focuses on managing historical issues, including comfort women issues, territorial disputes, and divergence in historical education. Accordingly, the effectiveness of management of tensions productively provides a method for detecting historical concerns, managing issues, and connecting the three countries and citizens through advocating for fair media reporting, effective network institutionalization, and active local government cooperation. Furthermore, this paper contributes to providing government solutions for reinforcing the CJK partnership. It specially involves history education, East Asian identity and mutual trust establishment, East Asia intra-regional exchange programs, and reorganization of the role of the Trilateral Cooperation Secretariat (TCS).

Keywords: China-Japan-South Korea, trilateral cooperation, government solutions, effectiveness of management, historical conflicts

Procedia PDF Downloads 112
4927 Conservation Planning of Paris Polyphylla Smith, an Important Medicinal Herb of the Indian Himalayan Region Using Predictive Distribution Modelling

Authors: Mohd Tariq, Shyamal K. Nandi, Indra D. Bhatt

Abstract:

Paris polyphylla Smith (Family- Liliaceae; English name-Love apple: Local name- Satuwa) is an important folk medicinal herb of the Indian subcontinent, being a source of number of bioactive compounds for drug formulation. The rhizomes are widely used as antihelmintic, antispasmodic, digestive stomachic, expectorant and vermifuge, antimicrobial, anti-inflammatory, heart and vascular malady, anti-fertility and sedative. Keeping in view of this, the species is being constantly removed from nature for trade and various pharmaceuticals purpose, as a result, the availability of the species in its natural habitat is decreasing. In this context, it would be pertinent to conserve this species and reintroduce them in its natural habitat. Predictive distribution modelling of this species was performed in Western Himalayan Region. One such recent method is Ecological Niche Modelling, also popularly known as Species distribution modelling, which uses computer algorithms to generate predictive maps of species distributions in a geographic space by correlating the point distributional data with a set of environmental raster data. In case of P. polyphylla, and to understand its potential distribution zones and setting up of artificial introductions, or selecting conservation sites, and conservation and management of their native habitat. Among the different districts of Uttarakhand (28°05ˈ-31°25ˈ N and 77°45ˈ-81°45ˈ E) Uttarkashi, Rudraprayag, Chamoli, Pauri Garhwal and some parts of Bageshwar, 'Maximum Entropy' (Maxent) has predicted wider potential distribution of P. polyphylla Smith. Distribution of P. polyphylla is mainly governed by Precipitation of Driest Quarter and Mean Diurnal Range i.e., 27.08% and 18.99% respectively which indicates that humidity (27%) and average temperature (19°C) might be suitable for better growth of Paris polyphylla.

Keywords: biodiversity conservation, Indian Himalayan region, Paris polyphylla, predictive distribution modelling

Procedia PDF Downloads 330
4926 The Future of Adventure Tourism in a Warmer World: An Exploratory Study of Mountain Guides’ Perception of Environmental Change in Canada

Authors: Brooklyn Rushton, Michelle Rutty, Natalie Knowles, Daniel Scott

Abstract:

As people are increasingly on the search for extraordinary experiences and connections with nature, adventure tourism is experiencing significant growth and providing tourists with life-changing experiences. Unlike built attraction-based tourism, adventure tourism relies entirely on natural heritage, which leaves communities dependent on adventure tourism extremely vulnerable to environmental and climatic changes. A growing body of evidence suggests that global climate change will influence the future of adventure tourism and mountain outdoor recreation opportunities on a global scale. Across Canada, more specifically, climate change is broadly anticipated to present risks for winter-snow sports, while opportunities are anticipated to arise for green season activities. These broad seasonal shifts do not account for the indirect impacts of climate change on adventure tourism, such as the cost of adaptation or the increase of natural hazards and the associated likelihood of accidents. While some research has examined the impact of climate change on natural environments that adventure tourism relies on, a very small body of research has specifically focused on guides’ perspectives or included hard adventure tourism activities. The guiding industry is unique, as guides are trained through an elegant blend of art and science to make decisions based on experience, observation, and intuition. While quantitative research can monitor change in natural environments, guides local knowledge can provide eye-witness accounts and outline what environmental changes mean for the future sustainability of adventure tourism. This research will capture the extensive knowledge of mountain guides to better understand the implications of climate change for mountain adventure and potential adaptive responses for the adventure tourism industry. This study uses a structured online survey with open and close-ended questions that will be administered using Qualtrics (an online survey platform). This survey is disseminated to current members of the Association of Canadian Mountain Guides (ACMG). Participation in this study will be exclusive to members of the ACMG operating in the outdoor guiding streams. The 25 survey questions are organized into four sections: demographic and professional operation (9 questions), physical change (4 questions), climate change perception (6 questions), and climate change adaptation (6 questions). How mountain guides perceive and respond to climate change is important knowledge for the future of the expanding adventure tourism industry. Results from this study are expected to provide important information to mountain destinations on climate change vulnerability and adaptive capacity. Expected results of this study include guides insight into: (1) experience-safety relevant observed physical changes in guided regions (i.e. glacial coverage, permafrost coverage, precipitation, temperature, and slope instability) (2) changes in hazards within the guiding environment (i.e. avalanches, rockfall, icefall, forest fires, flooding, and extreme weather events), (3) existing and potential adaptation strategies, and (4) key information and other barriers for adaptation. By gaining insight from the knowledge of mountain guides, this research can help the tourism industry at large understand climate risk and create adaptation strategies to ensure the resiliency of the adventure tourism industry.

Keywords: adventure tourism, climate change, environmental change, mountain hazards

Procedia PDF Downloads 192
4925 Determinants of Integrated Reporting in Nigeria

Authors: Uwalomwa Uwuigbe, Olubukola Ranti Uwuigbe, Jinadu Olugbenga, Otekunrin Adegbola

Abstract:

Corporate reporting has evolved over the years resulting from criticisms of the precedent by shareholders, stakeholders and other relevant financial institutions. Integrated reporting has become a globalized corporate reporting style, with its adoption around the world occurring rapidly to bring about an improvement in the quality of corporate reporting. While some countries have swiftly clinched into reporting in an integrated manner, others have not. In addition, there are ample research that has been conducted on the benefits of adopting integrated reporting, however, the same is not true in developing economies like Nigeria. Hence, this study basically examined the factors determining the adoption of integrated reporting in Nigeria. One hundred (100) copies of questionnaire was administered to financial managers of 20 selected listed companies in the Nigeria stock exchange market. The data obtained was analysed using the Spearman Rank Order Correlation via the Statistical Package for Social Science. This study observed that there is a significant relationship between the social pressures of isomorphic changes and integrated reporting adoption in Nigeria. The study recommends the need for an enforcement mechanism to be put in place while considering the adoption of integrated reporting in Nigeria, enforcement mechanisms should put into consideration the investors demand, the level of economic development, and the degree of corporate social responsibility.

Keywords: corporate social responsibility, isomorphic, integrated reporting, Nigeria, sustainability

Procedia PDF Downloads 390
4924 Evaluation Rabbit Serum of the Immunodominant Proteins of Mycobacterium avium Paratuberculosis Extracts

Authors: Maryam Hashemi, Nematollah Razmi, Rasool Madani

Abstract:

M. paratuberculosis is a slow growing mycobactin dependent mycobacterial species known to be the causative agent of Johne’s disease in all species of domestic ruminants worldwide. JD is characterized by gradual weight loss; decreased milk production. Excretion of the organism may occur for prolonged periods (1 to 2.5 years) before the onset of clinical disease. In recent years, researchers focus on identification a specific antigen of MAP to use in diagnosis test and preparation of effective vaccine. In this paper, for production of polyclonal antibody against proteins of Mycobacterium avium paratuberculosis cell wall a rabbit immunization at a certain time period with antigen. After immunization of the animal, blood samples were collected from the rabbit for producing enriched serum. Antibodies were purified with ion exchange chromatography. For exact measurement of interaction, western blotting test was used and as it is demonstrated in the study, sharp bands appear in nitrocellulose paper and specific bands were 50 and 150 KD molecular weight. These were indicating immunodominant proteins.

Keywords: immunodominant, paratuberculosis, Western blotting, cell wall proteins, protein purification

Procedia PDF Downloads 254
4923 Numerical Studies on the Performance of the Finned-Tube Heat Exchanger

Authors: S. P. Praveen Kumar, Bong-Su Sin, Kwon-Hee Lee

Abstract:

Finned-tube heat exchangers are predominantly used in space conditioning systems, as well as other applications requiring heat exchange between two fluids. The design of finned-tube heat exchangers requires the selection of over a dozen design parameters by the designer such as tube pitch, tube diameter, tube thickness, etc. Finned-tube heat exchangers are common devices; however, their performance characteristics are complicated. In this paper, numerical studies have been carried out to analyze the performances of finned tube heat exchanger (without fins considered for experimental purpose) by predicting the characteristics of temperature difference and pressure drop. In this study, a design considering 5 design variables, maximizing the temperature difference and minimizing the pressure drop was suggested by applying DOE. In this process, L18 orthogonal array was adopted. Parametric analytical studies have been carried out using Analysis of Variance (ANOVA) to determine the relative importance of each variable with respect to the temperature difference and the pressure drop. Following the results, the final design was suggested by predicting the optimum design therefore confirming the optimized condition.

Keywords: heat exchanger, fluid analysis, heat transfer, design of experiment, analysis of variance

Procedia PDF Downloads 446
4922 Inhibition of the Activity of Polyphenol Oxidase Enzyme Present in Annona muricata and Musa acuminata by the Experimentally Identified Natural Anti-Browning Agents

Authors: Michelle Belinda S. Weerawardana, Gobika Thiripuranathar, Priyani A. Paranagama

Abstract:

Most of fresh vegetables and fruits available in the retail markets undergo a physiological disorder in its appearance and coloration, which indeed discourages consumer purchase. A loss of millions of dollars yearly to the food industry had been due to this pronounced color reaction called Enzymatic Browning which is driven due to the catalytic activity by an oxidoreductase enzyme, polyphenol oxidase (PPO). The enzyme oxidizes the phenolic compounds which are abundantly available in fruits and vegetables as substrates into quinones, which could react with proteins in its surrounding to generate black pigments, called melanins, which are highly UV-active compounds. Annona muricata (Katu anoda) and Musa acuminata (Ash plantains) is a fruit and a vegetable consumed by Sri Lankans widely due to their high nutritional values, medicinal properties and economical importance. The objective of the present study was to evaluate and determine the effective natural anti-browning inhibitors that could prevent PPO activity in the selected fruit and vegetable. Enzyme extracts from Annona muricata (Katu anoda) and Musa acuminata (Ash plantains), were prepared by homogenizing with analytical grade acetone, and pH of each enzyme extract was maintained at 7.0 using a phosphate buffer. The extracts of inhibitors were prepared using powdered ginger rhizomes and essential oil from the bark of Cinnamomum zeylanicum. Water extracts of ginger were prepared and the essential oil from Ceylon cinnamon bark was extracted using steam distillation method. Since the essential oil is not soluble in water, 0.1µl of cinnamon bark oil was mixed with 0.1µl of Triton X-100 emulsifier and 5.00 ml of water. The effect of each inhibitor on the PPO activity was investigated using catechol (0.1 mol dm-3) as the substrate and two samples of enzyme extracts prepared. The dosages of the prepared Cinnamon bark oil, and ginger (2 samples) which were used to measure the activity were 0.0035 g/ml, 0.091 g/ml and 0.087 g/ml respectively. The measurements of the inhibitory activity were obtained at a wavelength of 525 nm using the UV-visible spectrophotometer. The results evaluated thus revealed that % inhibition observed with cinnamon bark oil, and ginger for Annona muricata was 51.97%, and 60.90% respectively. The effects of cinnamon bark oil, and ginger extract on PPO activity of Musa acuminata were 49.51%, and 48.10%. The experimental findings thus revealed that Cinnamomum zeylanicum bark oil was a more effective inhibitor for PPO enzyme present in Musa acuminata and ginger was effective for PPO enzyme present in Annona muricata. Overall both the inhibitors were proven to be more effective towards the activities of PPO enzyme present in both samples. These inhibitors can thus be corroborated as effective, natural, non-toxic, anti-browning extracts, which when added to the above fruit and vegetable will increase the shelf life and also the acceptance of the product by the consumers.

Keywords: anti-browning agent, enzymatic browning, inhibitory activity, polyphenol oxidase

Procedia PDF Downloads 275
4921 Development of Functional Cosmetic Materials from Demilitarized Zone Habiting Plants

Authors: Younmin Shin, Jin Kyu Kim, Mirim Jin, Jeong June Choi

Abstract:

Demilitarized Zone (DMZ) is a peace region located between South and North Korea border to avoid accidental armed conflict. Because human accessing to the area was forced to be prohibited for more than 60 years, DMZ is one of the cleanest land keeping wild lives as nature itself in South Korea. In this study, we evaluated the biological efficacies of plants (SS, PC, and AR) inhabiting in DMZ for the development of functional cosmetics. First, we tested the cytotoxicity of plant extracts in keratinocyte and melanocyte, which are the major cell components of skin. By 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay with the cell lines, we determined the safety concentrations of the extracts for the efficacy tests. Next, we assessed the anti-wrinkle cosmetic function of SS by demonstrating that SS treatment decreased the expression of Matrix metalloproteinase-1 (MMP-1) in UV-irradiated keratinocytes via real-time PCR. The suppressive effect of SS was greatly potentiated by combination with other DMZ-inhabiting plants, PC and AR. The expression of tyrosinase, which is one the main enzyme that producing melanin in melanocyte, was also down-regulated by the DMZ-inhabiting SS extract. Wound healing activity was also investigated by in vitro test with HaCat cell line, a human fibroblast cell line. All the natural materials extracted form DMZ habiting plants accelerated the recovery of the cells. These results suggested that DMZ is a treasure island of functional plants and DMZ-inhabiting natural products are warranted to develop functional cosmetic materials. This study was carried out with the support of R&D Program for Forest Science Technology (Project No. 2017027A00-1819-BA01) provided by Korea Forest Service (Korea Forestry Promotion Institute).

Keywords: anti-wrinkle, Demilitarized Zone, functional cosmetics, whitening

Procedia PDF Downloads 144
4920 Expanding Chance of Palm Oil Market into ASEAN Community: Case Study of Choomporn Palm Oil Cooperative

Authors: Pichamon Chansuchai

Abstract:

This paper studied the expanding market opportunity palm oil ASEAN community: case study of Choomporn Palm Oil Cooperative as qualitative research. The purpose is to study and analyze expanding and linking the liberalization of trade in palm oil products under the terms of cooperation and ASEAN countries. Collection data were collected using participatory observation, in-depth interviews, focus groups, government officials, palm oil cooperative, entrepreneurs and farmers to exchange opinions. The study found that of major competitors is Indonesia and Malaysia which as ASEAM members countries has the potential to produce over Thailand. Thailand government must have a policy to increase the competitiveness of the palm oil Thailand. Using grants from the Free Trade Area fund should add value to agricultural products, palm oil and the development of standard products to meet the needs of the member countries. And creating a learning center of the palm oil sector can transfer knowledge, development of palm species, solution process from planting to harvest care privatization process. And the development of palm oil in order to expand market opportunities for Thailand's palm oil has the potential to be competitive in the neighboring countries and the region.

Keywords: palm oil, market, cooperative, ASEAN

Procedia PDF Downloads 500
4919 Air Conditioning Variation of 1kW Open-Cathode Proton Exchange Membrane (PEM) Fuel Cell

Authors: Mohammad Syahirin Aisha, Khairul Imran Sainan

Abstract:

The PEM fuel cell is a device that generate electric by electrochemical reaction between hydrogen fuel and oxygen in the fuel cell stack. PEM fuel cell consists of an anode (hydrogen supply), a cathode (oxygen supply) and an electrolyte that allow charges move between the two positions of the fuel cell. The only product being developed after the reaction is water (H2O) and heat as the waste which does not emit greenhouse gasses. The performance of fuel cell affected by numerous parameters. This study is restricted to cathode parameters that affect fuel cell performance. At the anode side, the reactant is not going through any changes. Experiments with variation in air velocity (3m/s, 6m/s and 9m/s), temperature (10oC, 20oC, 35oC) and relative humidity (50%, 60%, and 70%) have been carried out. The experiments results are presented in the form of fuel cell stack power output over time, which demonstrate the impacts of the various air condition on the execution of the PEM fuel cell. In this study, the experimental analysis shows that with variation of air conditions, it gives different fuel cell performance behavior. The maximum power output of the experiment was measured at an ambient temperature of 25oC with relative humidity and 9m/s velocity of air.

Keywords: air-breathing PEM fuel cell, cathode side, performance, variation in air condition

Procedia PDF Downloads 461
4918 Breast Cancer Early Recognition, New Methods of Screening, and Analysis

Authors: Sahar Heidary

Abstract:

Breast cancer is a main public common obstacle global. Additionally, it is the second top reason for tumor death across women. Considering breast cancer cure choices can aid private doctors in precaution for their patients through future cancer treatment. This article reviews usual management centered on stage, histology, and biomarkers. The growth of breast cancer is a multi-stage procedure including numerous cell kinds and its inhibition residues stimulating in the universe. Timely identification of breast cancer is one of the finest methods to stop this illness. Entirely chief therapeutic administrations mention screening mammography for women aged 40 years and older. Breast cancer metastasis interpretations for the mainstream of deaths from breast cancer. The discovery of breast cancer metastasis at the initial step is essential for managing and estimate of breast cancer development. Developing methods consuming the exploration of flowing cancer cells illustrate talented outcomes in forecasting and classifying the initial steps of breast cancer metastasis in patients. In public, mammography residues are the key screening implement though the efficiency of medical breast checks and self-checkup is less. Innovative screening methods are doubtful to exchange mammography in the close upcoming for screening the overall people.

Keywords: breast cancer, screening, metastasis, methods

Procedia PDF Downloads 168
4917 Seismic Data Analysis of Intensity, Orientation and Distribution of Fractures in Basement Rocks for Reservoir Characterization

Authors: Mohit Kumar

Abstract:

Natural fractures are classified in two broad categories of joints and faults on the basis of shear movement in the deposited strata. Natural fracture always has high structural relationship with extensional or non-extensional tectonics and sometimes the result is seen in the form of micro cracks. Geological evidences suggest that both large and small-scale fractures help in to analyze the seismic anisotropy which essentially contribute into characterization of petro physical properties behavior associated with directional migration of fluid. We generally question why basement study is much needed as historically it is being treated as non-productive and geoscientist had no interest in exploration of these basement rocks. Basement rock goes under high pressure and temperature, and seems to be highly fractured because of the tectonic stresses that are applied to the formation along with the other geological factors such as depositional trend, internal stress of the rock body, rock rheology, pore fluid and capillary pressure. Sometimes carbonate rocks also plays the role of basement and igneous body e.g basalt deposited over the carbonate rocks and fluid migrate from carbonate to igneous rock due to buoyancy force and adequate permeability generated by fracturing. So in order to analyze the complete petroleum system, FMC (Fluid Migration Characterization) is necessary through fractured media including fracture intensity, orientation and distribution both in basement rock and county rock. Thus good understanding of fractures can lead to project the correct wellbore trajectory or path which passes through potential permeable zone generated through intensified P-T and tectonic stress condition. This paper deals with the analysis of these fracture property such as intensity, orientation and distribution in basement rock as large scale fracture can be interpreted on seismic section, however, small scale fractures show ambiguity in interpretation because fracture in basement rock lies below the seismic wavelength and hence shows erroneous result in identification. Seismic attribute technique also helps us to delineate the seismic fracture and subtle changes in fracture zone and these can be inferred from azimuthal anisotropy in velocity and amplitude and spectral decomposition. Seismic azimuthal anisotropy derives fracture intensity and orientation from compressional wave and converted wave data and based on variation of amplitude or velocity with azimuth. Still detailed analysis of fractured basement required full isotropic and anisotropic analysis of fracture matrix and surrounding rock matrix in order to characterize the spatial variability of basement fracture which support the migration of fluid from basement to overlying rock.

Keywords: basement rock, natural fracture, reservoir characterization, seismic attribute

Procedia PDF Downloads 197
4916 Modelling Ibuprofen with Human Albumin

Authors: U. L. Fulco, E. L. Albuquerque, José X. Lima Neto, L. R. Da Silva

Abstract:

The binding of the nonsteroidal anti-inflammatory drug ibuprofen (IBU) to human serum albumin (HSA) is investigated using density functional theory (DFT) calculations within a fragmentation strategy. Crystallographic data for the IBU–HSA supramolecular complex shows that the ligand is confined to a large cavity at the subdomain IIIA and at the interface between the subdomains IIA and IIB, whose binding sites are FA3/FA4 and FA6, respectively. The interaction energy between the IBU molecule and each amino acid residue of these HSA binding pockets was calculated using the Molecular Fractionation with Conjugate Caps (MFCC) approach employing a dispersion corrected exchange–correlation functional. Our investigation shows that the total interaction energy of IBU bound to HSA at binding sites of the fatty acids FA3/FA4 (FA6) converges only for a pocket radius of at least 8.5 °A, mainly due to the action of residues Arg410, Lys414 and Ser489 (Lys351, Ser480 and Leu481) and residues in nonhydrophobic domains, namely Ile388, Phe395, Phe403, Leu407, Leu430, Val433, and Leu453 (Phe206, Ala210, Ala213, and Leu327), which is unusual. Our simulations are valuable for a better understanding of the binding mechanism of IBU to albumin and can lead to the rational design and the development of novel IBU-derived drugs with improved potency.

Keywords: ibuprofen, human serum albumin, density functional theory, binding energies

Procedia PDF Downloads 347