Search results for: computer-aided drug design
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 13913

Search results for: computer-aided drug design

13223 Stereoscopic Motion Design: Design Futures

Authors: Edgar Teixeira, Eurico Carrapatoso

Abstract:

As 3D displays become increasingly affordable, while production techniques and computational resources to create stereoscopic content being ever more accessible, a new dimension is literally introduced along with new expressive and immersive potentialities in support of designing for the screen. Prospective design visionaries have already at the reach of their hands an innovative and powerful visualization technology, which enables them to actively envision future trends and vanguardist directions. This paper explores the aesthetic and informational potentialities of stereoscopic motion graphics, providing insight on the application of 3D displays in design practice, proposing strategies to investigate stereoscopic communication, discussing potential repercussions to extant theory and impacts on audience.

Keywords: design, visual communication, technology, stereoscopy, 3D media

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13222 Researches on Attractive Flowered Natural Woody Plants of Bursa Flora in Terms of Landscape Design

Authors: Elvan Ender, Murat Zencirkıran

Abstract:

One of the most important criteria that increase the success of design in landscape architecture is the visual effect. The characteristics that affect visual appearance in plant design vary depending on the phenological periods of the plants. In plants, although different effects are observed in different periods of the year, this effect is felt most prominently in flowering periods. For this reason, knowing the flowering time, duration and flower characteristics should be considered as a factor increasing the success of plant design. In this study, flower characteristics of natural woody plants with attractive flowers have been examined. Because of the variability of these characteristics of plants in the region, consideration of these criteria in the planting design processes in the region may increase the success of the design. At the same time, when species selection is made considering the obtained data, visuality and sustainability of natural species can be possible in Bursa city with planting design.

Keywords: Bursa, flower characteristics, natural plants, planting design

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13221 Spatial Cognition and 3-Dimensional Vertical Urban Design Guidelines

Authors: Hee Sun (Sunny) Choi, Gerhard Bruyns, Wang Zhang, Sky Cheng, Saijal Sharma

Abstract:

The main focus of this paper is to propose a comprehensive framework for the cognitive measurement and modelling of the built environment. This will involve exploring and measuring neural mechanisms. The aim is to create a foundation for further studies in this field that are consistent and rigorous. Additionally, this framework will facilitate collaboration with cognitive neuroscientists by establishing a shared conceptual basis. The goal of this research is to develop a human-centric approach for urban design that is scientific and measurable, producing a set of urban design guidelines that incorporate cognitive measurement and modelling. By doing so, the broader intention is to design urban spaces that prioritize human needs and well-being, making them more liveable.

Keywords: vertical urbanism, human centric design, spatial cognition and psychology, vertical urban design guidelines

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13220 Alternative Epinephrine Injector to Combat Allergy Induced Anaphylaxis

Authors: Jeremy Bost, Matthew Brett, Jacob Flynn, Weihui Li

Abstract:

One response during anaphylaxis is reduced blood pressure due to blood vessels relaxing and dilating. Epinephrine causes the blood vessels to constrict, which raises blood pressure to counteract the symptoms. When going through an allergic reaction, an Epinephrine injector is used to administer a shot of epinephrine intramuscularly. Epinephrine injectors have become an integral part of day-to-day life for people with allergies. Current Epinephrine injectors (EpiPen) are completely mechanical and have no sensors to monitor the vital signs of patients or give suggestions the optimal time for the shot. The EpiPens are also large and inconvenient to carry daily. The current price of an EpiPen is roughly 600$ for a pack of two. This makes carrying an EpiPen very expensive, especially when they need to be switched out when the epinephrine expires. This new design is in the form of a bracelet, which has the ability to inject epinephrine. The bracelet will be equipped with vital signs monitors that can aid the patient to sense the allergic reaction. The vital signs that would be of interest are blood pressure, heart rate and Electrodermal activity (EDA). The heart rate of the patient will be tracked by a photoplethysmograph (PPG) that is incorporated into the sensors. The heart rate is expected to increase during anaphylaxis. Blood pressure will be monitored through a radar sensor, which monitors the phase changes in electromagnetic waves as they reflect off of the blood vessel. EDA is under autonomic control. Allergen-induced anaphylaxis is caused by a release of chemical mediators from mast cells and basophils, thus changes the autonomic activity of the patient. So by measuring EDA, it will give the wearer an alert on how their autonomic nervous system is reacting. After the vital signs are collected, they will be sent to an application on a smartphone to be analyzed, which can then alert an emergency contact if the epinephrine injector on the bracelet is activated. Overall, this design creates a safer system by aiding the user in keeping track of their epinephrine injector, while making it easier to track their vital signs. Also, our design will be more affordable and more convenient to replace. Rather than replacing the entire product, only the needle and drug will be switched out and not the entire design.

Keywords: allergy, anaphylaxis, epinephrine, injector, vital signs monitor

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13219 An Investigation into the Crystallization Tendency/Kinetics of Amorphous Active Pharmaceutical Ingredients: A Case Study with Dipyridamole and Cinnarizine

Authors: Shrawan Baghel, Helen Cathcart, Biall J. O'Reilly

Abstract:

Amorphous drug formulations have great potential to enhance solubility and thus bioavailability of BCS class II drugs. However, the higher free energy and molecular mobility of the amorphous form lowers the activation energy barrier for crystallization and thermodynamically drives it towards the crystalline state which makes them unstable. Accurate determination of the crystallization tendency/kinetics is the key to the successful design and development of such systems. In this study, dipyridamole (DPM) and cinnarizine (CNZ) has been selected as model compounds. Thermodynamic fragility (m_T) is measured from the heat capacity change at the glass transition temperature (Tg) whereas dynamic fragility (m_D) is evaluated using methods based on extrapolation of configurational entropy to zero 〖(m〗_(D_CE )), and heating rate dependence of Tg 〖(m〗_(D_Tg)). The mean relaxation time of amorphous drugs was calculated from Vogel-Tammann-Fulcher (VTF) equation. Furthermore, the correlation between fragility and glass forming ability (GFA) of model drugs has been established and the relevance of these parameters to crystallization of amorphous drugs is also assessed. Moreover, the crystallization kinetics of model drugs under isothermal conditions has been studied using Johnson-Mehl-Avrami (JMA) approach to determine the Avrami constant ‘n’ which provides an insight into the mechanism of crystallization. To further probe into the crystallization mechanism, the non-isothermal crystallization kinetics of model systems was also analysed by statistically fitting the crystallization data to 15 different kinetic models and the relevance of model-free kinetic approach has been established. In addition, the crystallization mechanism for DPM and CNZ at each extent of transformation has been predicted. The calculated fragility, glass forming ability (GFA) and crystallization kinetics is found to be in good correlation with the stability prediction of amorphous solid dispersions. Thus, this research work involves a multidisciplinary approach to establish fragility, GFA and crystallization kinetics as stability predictors for amorphous drug formulations.

Keywords: amorphous, fragility, glass forming ability, molecular mobility, mean relaxation time, crystallization kinetics, stability

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13218 Psychosocial Challenges of Multi-Drug Resistant Tuberculosis (MDR-TB) Patients at St. Peter TB Specialized Hospital in Addis Ababa

Authors: Tamrat Girma Biru

Abstract:

Multidrug-resistant tuberculosis (MDR-TB) is defined as resistant to at least Refampicin and Isoniazed: the most two power full TB drugs. It is a leading cause of high rates of morbidity and mortality, and increasing psychosocial challenges to patients, especially when co-infected with Human Immunodeficiency Virus (HIV). Ethiopia faces the highest rates of MDR-TB infection in the world. Objectives: The main objective of this study was to identify the psychosocial challenges of MDR-TB patients, to investigate the extent of the psychosocial challenges on (self-esteem, depression, and stigma) that MDR-TB patients encounter, to examine whether there is a sex difference in experiencing psychosocial challenges and assess the counseling needs of MDR-TB patients. Methodology: A cross-sectional study was conducted at St. Peter TB Specialized Hospital, Addis Ababa on 40 patients (25 males and 15 females) who are hospitalized for treatment. The patients were identified by using purposive sampling and made fill a questionnaire measuring their level of self-esteem, depression and stigma. Besides, data were collected from 16 participants, 28 care providers and 8 guardians, using semi-structured interview. The obtained data were analyzed using SPSS statistical program, descriptive statistics, independent t-test, and qualitative description. Results and Discussion: The results of the study showed that the majority (80%) of the respondents had suffered psychological challenges and social discriminations. Thus, the significance of MDR-TB and its association with HIV/AIDS problems is considered. Besides the psychosocial challenges, various aggravating factors such as length of treatment, drug burden and insecurity in economy together highly challenges the life of patients. In addition, 60% of participants showed low level of self-esteem. The patients also reported that they experienced high self-stigma and stigma by other members of the society. The majority of the participants (75%) showed moderate and severe level of depression. In terms of sex there is no difference between the mean scores of males and females in the level of depression and stigmatization by others and by themselves. But females showed lower level of self-esteem than males. The analysis of the t-test also shows that there were no statistically significant sex difference on the level of depression and stigma. Based on the qualitative data MDR-TB patients face various challenges in their life sphere such as: Psychological (depression, low self value, lowliness, anxiety), social (stigma, isolation from social relations, self-stigmatization,) and medical (drug side effect, drug toxicity, drug burden, treatment length, hospital stays). Recommendations: Based on the findings of this study possible recommendations were forwarded: develop and extend MDR-TB disease awareness creation through by media (printing and electronic), school net TB clubs, and door to door community education. Strengthen psychological wellbeing and social relationship of MDR-TB patients using proper and consistent psychosocial support and counseling. Responsible bodies like Ministry of Health (MOH) and its stakeholders and Non Governmental Organizations (NGOs) need to assess the challenges of patients and take measures on this pressing issue.

Keywords: psychosocial challenges, counseling, multi-drug resistant tuberculosis (MDR-TB), tuberculosis therapy

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13217 Towards a Biologically Relevant Tumor-on-a-Chip: Multiplex Microfluidic Platform to Study Breast Cancer Drug Response

Authors: Soroosh Torabi, Brad Berron, Ren Xu, Christine Trinkle

Abstract:

Microfluidics integrated with 3D cell culture is a powerful technology to mimic cellular environment, and can be used to study cell activities such as proliferation, migration and response to drugs. This technology has gained more attention in cancer studies over the past years, and many organ-on-a-chip systems have been developed to study cancer cell behaviors in an ex-vivo tumor microenvironment. However, there are still some barriers to adoption which include low throughput, complexity in 3D cell culture integration and limitations on non-optical analysis of cells. In this study, a user-friendly microfluidic multi-well plate was developed to mimic the in vivo tumor microenvironment. The microfluidic platform feeds multiple 3D cell culture sites at the same time which enhances the throughput of the system. The platform uses hydrophobic Cassie-Baxter surfaces created by microchannels to enable convenient loading of hydrogel/cell suspensions into the device, while providing barrier free placement of the hydrogel and cells adjacent to the fluidic path. The microchannels support convective flow and diffusion of nutrients to the cells and a removable lid is used to enable further chemical and physiological analysis on the cells. Different breast cancer cell lines were cultured in the device and then monitored to characterize nutrient delivery to the cells as well as cell invasion and proliferation. In addition, the drug response of breast cancer cell lines cultured in the device was compared to the response in xenograft models to the same drugs to analyze relevance of this platform for use in future drug-response studies.

Keywords: microfluidics, multi-well 3d cell culture, tumor microenvironment, tumor-on-a-chip

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13216 Design of an Electric Arc Furnace for the Production of Metallurgical Grade Silicon

Authors: M. Barbouche, M. Hajji, H. Ezzaouia

Abstract:

This project is a step to manufacture solar grade silicon. It consists in designing an electrical arc furnace in order to produce metallurgical silicon Mg-Si with mutually carbon and high purity of silica. It concerns, first, the development of a functional analysis, a mechanical design and thermodynamic study. Our study covers also, the design of the temperature control system and the design of the electric diagrams. The furnace works correctly. A Labview interface was developed to control all parameters and to supervise the operation of furnace. Characterization tests with X-ray technique and Raman spectroscopy allow us to confirm the metallurgical silicon production.

Keywords: arc furnace, electrical design, silicon manufacturing, regulation, x-ray characterization

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13215 Novel Solid Lipid Nanoparticles for Oral Delivery of Oxyresveratrol: Effect of the Formulation Parameters on the Physicochemical Properties and in vitro Release

Authors: Yaowaporn Sangsen, Kittisak Likhitwitayawuid, Boonchoo Sritularak, Kamonthip Wiwattanawongsa, Ruedeekorn Wiwattanapatapee

Abstract:

Novel solid lipid nanoparticles (SLNs) were developed to improve oral bioavailability of oxyresveratrol (OXY). The SLNs were prepared by a high speed homogenization technique, at an effective speed and time, using Compritol® 888 ATO (5% w/w) as the solid lipid. The appropriate weight proportions (0.3% w/w) of OXY affected the physicochemical properties of blank SLNs. The effects of surfactant types on the properties of the formulations such as particle size and entrapment efficacy were also investigated. Conclusively, Tween 80 combined with soy lecithin was the most appropriate surfactant to stabilize OXY-loaded SLNs. The mean particle size of the optimized formulation was 134.40 ± 0.57 nm. In vitro drug release study, the selected S2 formulation showed a retarded release profile for OXY with no initial burst release compared to OXY suspension in the simulated gastrointestinal fluids. Therefore, these SLNs could provide a suitable system to develop for the oral OXY delivery.

Keywords: solid lipid nanoparticles, physicochemical properties, in vitro drug release, oxyresveratrol

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13214 Design Optimization and Thermoacoustic Analysis of Pulse Tube Cryocooler Components

Authors: K. Aravinth, C. T. Vignesh

Abstract:

The usage of pulse tube cryocoolers is significantly increased mainly due to the advantage of the absence of moving parts. The underlying idea of this project is to optimize the design of pulse tube, regenerator, a resonator in cryocooler and analyzing the thermo-acoustic oscillations with respect to the design parameters. Computational Fluid Dynamic (CFD) model with time-dependent validation is done to predict its performance. The continuity, momentum, and energy equations are solved for various porous media regions. The effect of changing the geometries and orientation will be validated and investigated in performance. The pressure, temperature and velocity fields in the regenerator and pulse tube are evaluated. This optimized design performance results will be compared with the existing pulse tube cryocooler design. The sinusoidal behavior of cryocooler in acoustic streaming patterns in pulse tube cryocooler will also be evaluated.

Keywords: acoustics, cryogenics, design, optimization

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13213 Design and Implementation of Remote Control Application for Elderly People Who Live Alone

Authors: Cristina Nieves Perdomo Delgado

Abstract:

The study consists of the design and use of an application for cell phones called “Me Cuido” that consists of remote control of elderly people who live alone with their families. The objective of the study is to analyze the usability of the application by 40-year-olds using the Questionnaire for User Interaction Satisfaction (QUIS) method. The results highlight that the application has a design adapted to the elderly and that it is easy to use and understand.

Keywords: design, assistive technology, elderly people, independence

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13212 A New Design Methodology for Partially Reconfigurable Systems-on-Chip

Authors: Roukaya Dalbouchi, Abdelkrin Zitouni

Abstract:

In this paper, we propose a novel design methodology for Dynamic Partial Reconfigurable (DPR) system. This type of system has the property of being able to be modified after its design and during its execution. The suggested design methodology is generic in terms of granularity, number of modules, and reconfigurable region and suitable for any type of modern application. It is based on the interconnection between several design stages. The recommended methodology represents a guide for the design of DPR architectures that meet compromise reconfiguration/performance. To validate the proposed methodology, we use as an application a video watermarking. The comparison result shows that the proposed methodology supports all stages of DPR architecture design and characterized by a high abstraction level. It provides a dynamic/partial reconfigurable architecture; it guarantees material efficiency, the flexibility of reconfiguration, and superior performance in terms of frequency and power consumption.

Keywords: dynamically reconfigurable system, block matching algorithm, partial reconfiguration, motion vectors, video watermarking

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13211 Combined Analysis of Sudoku Square Designs with Same Treatments

Authors: A. Danbaba

Abstract:

Several experiments are conducted at different environments such as locations or periods (seasons) with identical treatments to each experiment purposely to study the interaction between the treatments and environments or between the treatments and periods (seasons). The commonly used designs of experiments for this purpose are randomized block design, Latin square design, balanced incomplete block design, Youden design, and one or more factor designs. The interest is to carry out a combined analysis of the data from these multi-environment experiments, instead of analyzing each experiment separately. This paper proposed combined analysis of experiments conducted via Sudoku square design of odd order with same experimental treatments.

Keywords: combined analysis, sudoku design, common treatment, multi-environment experiments

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13210 Method of Visual Prosthesis Design Based on Biologically Inspired Design

Authors: Shen Jian, Hu Jie, Zhu Guo Niu, Peng Ying Hong

Abstract:

There are two issues exited in the traditional visual prosthesis: lacking systematic method and the low level of humanization. To tackcle those obstacles, a visual prosthesis design method based on biologically inspired design is proposed. Firstly, a constrained FBS knowledge cell model is applied to construct the functional model of visual prosthesis in biological field. Then the clustering results of engineering domain are ob-tained with the use of the cross-domain knowledge cell clustering algorithm. Finally, a prototype system is designed to support the bio-logically inspired design where the conflict is digested by TRIZ and other tools, and the validity of the method is verified by the solution scheme

Keywords: knowledge-based engineering, visual prosthesis, biologically inspired design, biomedical engineering

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13209 Integrated Evaluation of Green Design and Green Manufacturing Processes Using a Mathematical Model

Authors: Yuan-Jye Tseng, Shin-Han Lin

Abstract:

In this research, a mathematical model for integrated evaluation of green design and green manufacturing processes is presented. To design a product, there can be alternative options to design the detailed components to fulfill the same product requirement. In the design alternative cases, the components of the product can be designed with different materials and detailed specifications. If several design alternative cases are proposed, the different materials and specifications can affect the manufacturing processes. In this paper, a new concept for integrating green design and green manufacturing processes is presented. A green design can be determined based the manufacturing processes of the designed product by evaluating the green criteria including energy usage and environmental impact, in addition to the traditional criteria of manufacturing cost. With this concept, a mathematical model is developed to find the green design and the associated green manufacturing processes. In the mathematical model, the cost items include material cost, manufacturing cost, and green related cost. The green related cost items include energy cost and environmental cost. The objective is to find the decisions of green design and green manufacturing processes to achieve the minimized total cost. In practical applications, the decision-making can be made to select a good green design case and its green manufacturing processes. In this presentation, an example product is illustrated. It shows that the model is practical and useful for integrated evaluation of green design and green manufacturing processes.

Keywords: supply chain management, green supply chain, green design, green manufacturing, mathematical model

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13208 Solubility and Dissolution Enhancement of Poorly Soluble Drugs Using Biosericin

Authors: Namdeo Jadhav, Nitin Salunkhe

Abstract:

Currently, sericin is being treated as waste of sericulture industry, especially at reeling process. Looking at prospective physicochemical properties, an attempt has been made to explore pharmaceutical applications of sericin waste in fabrication of medicated solid dispersions. Solid dispersions (SDs) of poorly soluble drugs (Lornoxicam, Meloxicam & Felodipine) were prepared by spray drying, solvent evaporation, ball milling and physical kneading in mass ratio of drug: sericin (1:0.5, 1:1, 1:1.5, 1:2, 1:2.5 and 1:3 w/w) and were investigated by solubility, ATR-FTIR, XRD and DSC, micromeritics and tablettability, surface morphology and in-vitro dissolution. It has been observed that sericin improves solubility of drugs by 8 to 10 times compared to pure drugs. The presence of hydrogen bonding between drugs and sericin was confirmed from the ATR-FTIR spectra. Amongst these methods, spray dried (1:2 w/w) SDs showed fully amorphous state representing molecularly distributed drug as confirmed from XRD and DSC study. Spray dried meloxicam SDs showed better compressibility and compactibility. The microphotograph of spray dried batches of lornoxicam (SDLX) and meloxicam SDs (SDMX) showed bowl shaped, and bowl plus spherical particles respectively, while spray dried felodipine SDs (SDFL) showed spherical shape. The SDLX, SDMX and SDFL (1:2 w/w) displayed better dissolution performance than other methods. Conclusively, hydrophilic matrix of sericin can be used to deliver poor water soluble drugs and its aerodynamic shape may show a great potential for various drug deliveries. If established as pharmaceutical excipient, sericin holds a potential to revolutionise economics of pharmaceutical industry, and sericulture farming, especially of Asian countries.

Keywords: biosericin, poorly soluble drugs, solid dispersion, solubility and dissolution improvement

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13207 An Activatable Prodrug for the Treatment of Metastatic Tumors

Authors: Eun-Joong Kim, Sankarprasad Bhuniya, Hyunseung Lee, Hyun Min Kim, Chaejoon Cheong, Su-khendu Maiti, Kwan Soo Hong, Jong Seung Kim

Abstract:

Metastatic cancers have historically been difficult to treat. However, metastatic tumors have been found to have high levels of reactive oxygen species such as hydrogen peroxide (H2O2), supporting the hypothesis that a prodrug could be activated by intracellular H2O2 and lead to a potential anti-metastatic therapy. In this study, prodrug 7 was designed to be activated by H2O2-mediated boronate oxidation, resulting in activation of the fluorophore for detection and release of the therapeutic agent, SN-38. Drug release from prodrug 7 was investigated by monitoring fluorescence after addition of H2O2 to the cancer cells. Prodrug 7 activated by H2O2 selectively inhibited tumor cell growth. Furthermore, intratracheally administered prodrug 7 showed effective anti-tumor activity in a mouse model of metastatic lung disease. Thus, this H2O2-responsive prodrug has therapeutic potential as a novel treatment for metastatic cancer via cellular imaging with fluorescence as well as selective release of the anti-cancer drug, SN-38.

Keywords: hydrogen peroxide, prodrug, metastatic tumors, fluorescence

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13206 FPGA Implementation of RSA Encryption Algorithm for E-Passport Application

Authors: Khaled Shehata, Hanady Hussien, Sara Yehia

Abstract:

Securing the data stored on E-passport is a very important issue. RSA encryption algorithm is suitable for such application with low data size. In this paper the design and implementation of 1024 bit-key RSA encryption and decryption module on an FPGA is presented. The module is verified through comparing the result with that obtained from MATLAB tools. The design runs at a frequency of 36.3 MHz on Virtex-5 Xilinx FPGA. The key size is designed to be 1024-bit to achieve high security for the passport information. The whole design is achieved through VHDL design entry which makes it a portable design and can be directed to any hardware platform.

Keywords: RSA, VHDL, FPGA, modular multiplication, modular exponential

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13205 Comparative in silico and in vitro Study of N-(1-Methyl-2-Oxo-2-N-Methyl Anilino-Ethyl) Benzene Sulfonamide and Its Analogues as an Anticancer Agent

Authors: Pamita Awasthi, Kirna, Shilpa Dogra, Manu Vatsal, Ritu Barthwal

Abstract:

Doxorubicin, also known as adriamycin, is an anthracycline class of drug used in cancer chemotherapy. It is used in the treatment of non-Hodgkin’s lymphoma, multiple myeloma, acute leukemias, breast cancer, lung cancer, endometrium cancer and ovary cancers. It functions via intercalating DNA and ultimately killing cancer cells. The major side effects of doxorubicin are hair loss, myelosuppression, nausea & vomiting, oesophagitis, diarrhoea, heart damage and liver dysfunction. The minor modifications in the structure of compound exhibit large variation in the biological activity, has prompted us to carry out the synthesis of sulfonamide derivatives. Sulfonamide is an important feature with broad spectrum of biological activity such as antiviral, antifungal, diuretics, anti-inflammatory, antibacterial and anticancer activities. Structure of the synthesized compound N-(1-methyl-2-oxo-2-N-methyl anilino-ethyl)benzene sulfonamide confirmed by proton nuclear magnetic resonance (1H NMR),13C NMR, Mass and FTIR spectroscopic tools to assure the position of all protons and hence stereochemistry of the molecule. Further we have reported the binding potential of synthesized sulfonamide analogues in comparison to doxorubicin drug using Auto Dock 4.2 software. Computational binding energy (B.E.) and inhibitory constant (Ki) has been evaluated for the synthesized compound in comparison of doxorubicin against Poly (dA-dT).Poly (dA-dT) and Poly (dG-dC).Poly (dG-dC) sequences. The in vitro cytotoxic study against human breast cancer cell lines confirms the better anticancer activity of the synthesized compound over currently in use anticancer drug doxorubicin. The IC50 value of the synthesized compound is 7.12 µM where as for doxorubicin is 7.2 µ.

Keywords: Doxorubicin, auto dock, in silco, in vitro

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13204 A Machine Learning-Based Model to Screen Antituberculosis Compound Targeted against LprG Lipoprotein of Mycobacterium tuberculosis

Authors: Syed Asif Hassan, Syed Atif Hassan

Abstract:

Multidrug-resistant Tuberculosis (MDR-TB) is an infection caused by the resistant strains of Mycobacterium tuberculosis that do not respond either to isoniazid or rifampicin, which are the most important anti-TB drugs. The increase in the occurrence of a drug-resistance strain of MTB calls for an intensive search of novel target-based therapeutics. In this context LprG (Rv1411c) a lipoprotein from MTB plays a pivotal role in the immune evasion of Mtb leading to survival and propagation of the bacterium within the host cell. Therefore, a machine learning method will be developed for generating a computational model that could predict for a potential anti LprG activity of the novel antituberculosis compound. The present study will utilize dataset from PubChem database maintained by National Center for Biotechnology Information (NCBI). The dataset involves compounds screened against MTB were categorized as active and inactive based upon PubChem activity score. PowerMV, a molecular descriptor generator, and visualization tool will be used to generate the 2D molecular descriptors for the actives and inactive compounds present in the dataset. The 2D molecular descriptors generated from PowerMV will be used as features. We feed these features into three different classifiers, namely, random forest, a deep neural network, and a recurring neural network, to build separate predictive models and choosing the best performing model based on the accuracy of predicting novel antituberculosis compound with an anti LprG activity. Additionally, the efficacy of predicted active compounds will be screened using SMARTS filter to choose molecule with drug-like features.

Keywords: antituberculosis drug, classifier, machine learning, molecular descriptors, prediction

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13203 Modern Forms and Aesthetics in Design

Authors: Chukwuma Anya, Mekwa Eme

Abstract:

The term ‘’FORM’’ in design could be referred to as the combination of various shapes of different sizes and assembling them in appropriate positions to achieve a unique figure of high aesthetic value. A deduction from this definition is that forms contribute immensely to the actualization of aesthetics in a building. When these various shapes and figures are properly assembled, it may give rise to a concept in design. However some architects and other designers either misuse or abuse the use of these shapes, hence resulting to a design imbalance, lack of uniformity and expression. This academic work is designed to educate the public on the proper usage of some regular shapes like circles, rectangles, pentagons, hexagons, triangles etc, to achieve a unique form in design. By the end of this work, one should be able to assemble different shapes to express different emotions of the mind, such as peace, love, confusion, war, and unity. Some elements of design, such as balance, stability, functionality and aesthetics, will also be achieved even as the building maintains its unique form.

Keywords: aesthetics, form, balance, stability

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13202 Design of Impedance Box to Study Fluid Parameters

Authors: K. AlJimaz, A. Abdullah, A. Abdulsalam, K. Ebdah, A. Abdalrasheed

Abstract:

Understanding flow distribution and head losses is essential to design and calculate Thermo fluid parameters in order to reduce the pressure to a certain required pressure. This paper discusses the ways acquired in design and simulation to create and design an impedance box that reduces pressure. It's controlled by specific scientific principles such as Bernoulli’s principle and conservation of mass. In this paper, the design is made using SOLIDWORKS, and the simulation is done using ANSYS software to solve differential equations and study the parameters in the 3D model, also to understand how the design of this box reduced the pressure. The design was made so that fluid enters at a certain pressure of 3000 Pa in a single inlet; then, it exits from six outlets at a pressure of 300 Pa with respect to the conservation of mass principle. The effect of the distribution of flow and the head losses has been noticed that it has an impact on reducing the pressure since other factors, such as friction, were neglected and also the temperature, which was constant. The design showed that the increase in length and diameter of the pipe helped to reduce the pressure, and the head losses contributed significantly to reduce the pressure to 10% of the original pressure (from 3000 Pa to 300 Pa) at the outlets.

Keywords: box, pressure, thermodynamics, 3D

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13201 Value Engineering and Its Impact on Drainage Design Optimization for Penang International Airport Expansion

Authors: R.M. Asyraf, A. Norazah, S.M. Khairuddin, B. Noraziah

Abstract:

Designing a system at present requires a vital, challenging task; to ensure the design philosophy is maintained in economical ways. This paper perceived the value engineering (VE) approach applied in infrastructure works, namely stormwater drainage. This method is adopted in line as consultants have completed the detailed design. Function Analysis System Technique (FAST) diagram and VE job plan, information, function analysis, creative judgement, development, and recommendation phase are used to scrutinize the initial design of stormwater drainage. An estimated cost reduction using the VE approach of 2% over the initial proposal was obtained. This cost reduction is obtained from the design optimization of the drainage foundation and structural system, where the pile design and drainage base structure are optimized. Likewise, the design of the on-site detention tank (OSD) pump was revised and contribute to the cost reduction obtained. This case study shows that the VE approach can be an important tool in optimizing the design to reduce costs.

Keywords: value engineering, function analysis system technique, stormwater drainage, cost reduction

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13200 Design, Prototyping, Integration, Flight Testing of a 20 cm Span Fully Autonomous Fixed Wing Micro Air Vehicle

Authors: Vivek Paul, Abel Nelly, Shoeb A Adeel, R. Tilak, S. Maheshwaran, S. Pulikeshi, Roshan Antony, C. S. Suraj

Abstract:

This paper presents the complete design and development cycle of a 20 cm span fixed wing micro air vehicle that was developed at CSIR-NAL, under the micro air vehicle development program. The design is a cropped delta flying wing MAV with a modified N22 airfoil of 12.3% thickness. The design was fabricated using the fused deposition method- RPT technique. COTS components were procured and integrated into this RPT prototype. A commercial autopilot that was proven in the earlier MAV designs was used for this MAV. The MAV was flown fully autonomous for 14mins at an open field. The flight data showed good performance as expected from the MAV design. The paper also describes about the process involved in the design of MAVs.

Keywords: autopilot, autonomous mode, flight testing, MAV, RPT

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13199 Inhibition of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase from Mycobacterium Tuberculosis Using High Throughput Virtual Screening and Molecular Dynamics Studies

Authors: Christy Rosaline, Rathankar Roa, Waheeta Hopper

Abstract:

Persistence of tuberculosis, emergence of multidrug-resistance and extensively drug-resistant forms of the disease, has increased the interest in developing new antitubercular drugs. Developing inhibitors for 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis (MtbDAH7Ps), an enzyme involved in shikimate pathway, gives a selective target for antitubercular agents. MtbDAH7Ps was screened against ZINC database, and shortlisted compounds were subjected to induce fit docking. Prime/Molecular Mechanics Generalized Born Surface Area calculation was used to validate the binding energy of ligand-protein complex. Molecular Dynamics analysis for of the lead compounds–MtbDAH7Ps complexes showed that the backbone of MtbDAH7Ps in their complexes were stable. These results suggest that the shortlisted lead compounds ZINC04097114, ZINC15163225, ZINC16857013, ZINC06275603, and ZINC05331260 could be developed into novel drug leads to inhibit DAH7Ps in Mycobacterium tuberculosis.

Keywords: MtbDAH7Ps, Mycobacterium tuberculosis, HTVS, molecular dynamics

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13198 Free Radical Scavenging Activity and Total Phenolic Assessment of Drug Repurposed Medicinal Plant Metabolites: Promising Tools against Post COVID-19 Syndromes and Non-Communicable Diseases in Botswana

Authors: D. Motlhanka, M. Mine, T. Bagaketse, T. Ngakane

Abstract:

There is a plethora of evidence from numerous sources that highlights the triumph of naturally derived medicinal plant metabolites with antioxidant capability for repurposed therapeutics. As post-COVID-19 syndromes and non-communicable diseases are on the rise, there is an urgent need to come up with new therapeutic strategies to address the problem. Non-communicable diseases and Post COVID-19 syndromes are classified as socio-economic diseases and are ranked high among threats to health security due to the economic burden they pose to any government budget commitment. Research has shown a strong link between accumulation of free radicals and oxidative stress critical for pathogenesis of non-communicable diseases and COVID-19 syndromes. Botswana has embarked on a robust programme derived from ethno-pharmacognosy and drug repurposing to address these threats to health security. In the current approach, a number of medicinally active plant-derived polyphenolics are repurposed and combined into new medicinal tools to target diabetes, Hypertension, Prostate Cancer and oxidative stress induced Post COVID 19 syndromes such as “brain fog”. All four formulants demonstrated Free Radical scavenging capacities above 95% at 200µg/ml using the diphenylpicryalhydrazyl free radical scavenging assay and the total phenolic contents between 6899-15000GAE(g/L) using the folin-ciocalteau assay respectively. These repurposed medicinal tools offer new hope and potential in the fight against emerging health threats driven by hyper-inflammation and free radical-induced oxidative stress.

Keywords: drug repurposed plant polyphenolics, free radical damage, non-communicable diseases, post COVID 19 syndromes

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13197 Design for Error-Proofing Assembly: A Systematic Approach to Prevent Assembly Issues since Early Design Stages, an Industrial Case Study

Authors: Gabriela Estrada, Joaquim Lloveras

Abstract:

Design for error-proofing assembly is a new DFX approach to prevent assembly issues since early design stages. Assembly issues that can happen during the life phases of a system such as: production, installation, operation, and replacement phases. This prevention is possible by designing the product with poka-yoke or error-proofing characteristics. This approach guide designers to make decisions based on poka-yoke assembly design requirements. As a result of applying these requirements designers are able to create solutions to prevent assembly issues for the product in development stage. This paper integrates the needs to design products in an error proofing way into the systematic approach of design process by Pahl and Beitz. A case study is presented applying this approach.

Keywords: poka-yoke, error-proofing, assembly issues, design process, life phases of a system

Procedia PDF Downloads 353
13196 Design for Error-Proofing Assembly: A Systematic Approach to Prevent Assembly Issues since Early Design Stages. An Industry Case Study

Authors: Gabriela Estrada, Joaquim Lloveras

Abstract:

Design for error-proofing assembly is a new DFX approach to prevent assembly issues since early design stages. Assembly issues that can happen during the life phases of a system such as: production, installation, operation and replacement phases. This prevention is possible by designing the product with poka-yoke or error-proofing characteristics. This approach guide designers to make decisions based on poka-yoke assembly design requirements. As a result of applying these requirements designers are able to create solutions to prevent assembly issues for the product in development stage. This paper integrates the needs to design products in an error proofing way into the systematic approach of design process by Pahl and Beitz. A case study is presented applying this approach.

Keywords: poka-yoke, error-proofing, assembly issues, design process, life phases of a system

Procedia PDF Downloads 300
13195 Synthesis of PVA/γ-Fe2O3 Used in Cancer Treatment by Hyperthermia

Authors: Sajjad Seifi Mofarah, S. K. Sadrnezhaad, Shokooh Moghadam, Javad Tavakoli

Abstract:

In recent years a new method of combination treatment for cancer has been developed and studied that has led to significant advancements in the field of cancer therapy. Hyperthermia is a traditional therapy that, along with a creation of a medically approved level of heat with the help of an alternating magnetic AC current, results in the destruction of cancer cells by heat. This paper gives details regarding the production of the spherical nanocomposite PVA/γ-Fe2O3 in order to be used for medical purposes such as tumor treatment by hyperthermia. To reach a suitable and evenly distributed temperature, the nanocomposite with core-shell morphology and spherical form within a 100 to 200 nanometer size was created using phase separation emulsion, in which the magnetic nano-particles γ-Fe2O3 with an average particle size of 20 nano-meters and with different percentages of 0.2, 0.4, 0.5, and 0.6 were covered by polyvinyl alcohol. The main concern in hyperthermia and heat treatment is achieving desirable specific absorption rate (SAR) and one of the most critical factors in SAR is particle size. In this project all attempts has been done to reach minimal size and consequently maximum SAR. The morphological analysis of the spherical structure of the nanocomposite PVA/γ-Fe2O3 was achieved by SEM analyses and the study of the chemical bonds created was made possible by FTIR analysis. To investigate the manner of magnetic nanocomposite particle size distribution a DLS experiment was conducted. Moreover, to determine the magnetic behavior of the γ-Fe2O3 particle and the nanocomposite PVA/γ-Fe2O3 in different concentrations a VSM test was conducted. To sum up, creating magnetic nanocomposites with a spherical morphology that would be employed for drug loading opens doors to new approaches in developing nanocomposites that provide efficient heat and a controlled release of drug simultaneously inside the magnetic field, which are among their positive characteristics that could significantly improve the recovery process in patients.

Keywords: nanocomposite, hyperthermia, cancer therapy, drug releasing

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13194 Reviewing the Effect of Healing Design on Mental Health Establishments in the Context of India

Authors: Aratrika Sarkar, Jayita Guha Niyogi

Abstract:

This paper focuses on the application of general healing design theories to modulate them into case-specific and contextual design considerations. Existing literature focuses on the relationship between architecture and mental health. Primary case studies are selected in India to focus on the effect of a specific location on design considerations. They are qualitatively analysed to further contextualise the inferences from the literature study. An academic project is cited as an example to apply the learnings from the study and understand the influence of various parameters on the design process for further conclusion. Literature studies, case studies and hypothetical design applications helped in finding the different ways of achieving the similar goal of a sensitive approach toward mental health. Along with salutogenic parameters, category of establishment, age group, location of the site and user preference plays a crucial role in the design process. Design of mental health establishments, especially in India, has to involve transparency between stakeholders and users. Owing to different climatic zones and diverse sociocultural traditions, the approach toward healing should adapt accordingly. It should be an effort towards striking a balance between contradictory elements of healing design and resolving the dilemmas with sensitivity and consensus. Lastly, the design should not force a person towards communication or companionship but rather let the person realise that naturally through the healing process.

Keywords: contextual healing design, deinstitutionalisation, Indian mental healthcare establishments, environmental psychology, salutogenesis, therapeutic design

Procedia PDF Downloads 86