Search results for: Abhimanyu Gupta
174 Luminescent and Conductive Cathode Buffer Layer for Enhanced Power Conversion Efficiency of Bulk-Heterojunction Solar Cells
Authors: Swati Bishnoi, D. Haranath, Vinay Gupta
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In this work, we demonstrate that the power conversion efficiency (PCE) of organic solar cells (OSCs) could be improved significantly by using ZnO doped with Aluminum (Al) and Europium (Eu) as cathode buffer layer (CBL). The ZnO:Al,Eu nanoparticle layer has broadband absorption in the ultraviolet (300-400 nm) region. The Al doping contributes to the enhancement in the conductivity whereas Eu doping significantly improves emission in the visible region. Moreover, this emission overlaps with the absorption range of polymer poly [N -9′-heptadecanyl-2,7-carbazole-alt-5,5-(4′,7′-di-2-thienyl-2′,1′,3′- benzothiadiazole)] (PCDTBT) significantly and results in an enhanced absorption by the active layer and hence high photocurrent. An increase in the power conversion efficiency (PCE) of 6.8% has been obtained for ZnO: Al,Eu CBL as compared to 5.9% for pristine ZnO, in the inverted device configuration ITO/CBL/active layer/MoOx/Al. The active layer comprises of a blend of PCDTBT donor and [6-6]-phenyl C71 butyric acid methyl ester (PC71BM) acceptor. In the reference device pristine ZnO has been used as CBL, whereas in the other one ZnO:Al,Eu has been used as CBL. The role of the luminescent CBL layer is to down-shift the UV light into visible range which overlaps with the absorption of PCDTBT polymer, resulting in an energy transfer from ZnO:Al,Eu to PCDTBT polymer and the absorption by active layer is enhanced as revealed by transient spectroscopy. This enhancement resulted in an increase in the short circuit current which contributes in an increased PCE in the device employing ZnO: Al,Eu CBL. Thus, the luminescent ZnO: Al, Eu nanoparticle CBL has great potential in organic solar cells.Keywords: cathode buffer layer, energy transfer, organic solar cell, power conversion efficiency
Procedia PDF Downloads 254173 Retinal Changes in Patients with Idiopathic Inflammatory Myopathies: A Case-Control Study
Authors: Rachna Agarwal, R. Naveen, Darpan Thakre, Rohit Shahi, Maryam Abbasi, Upendra Rathore, Latika Gupta
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Aim: Retinal changes are the window to systemic vasculature. Therefore, we explored retinal changes in patients with idiopathic inflammatory myopathies (IIM) as a surrogate for vascular health. Methods: Adult and juvenile IIM patients visiting a tertiary care centre in 2021 satisfying the International Myositis Classification Criteria were enrolled for detailed ophthalmic examination in comparison with healthy controls (HC). Patients with conditions that precluded thorough posterior chamber examination were excluded. Scale variables are expressed as median (IQR). Multivariate analysis (binary logistic regression-BLR) was conducted, adjusting for age, gender, and comorbidities besides factors significant in univariate analysis. Results: 43 patients with IIM [31 females; age 36 (23-45) years; disease duration 5.5 (2-12) months] were enrolled for participation. DM (44%) was the most common diagnosis. IIM patients exhibited frequent attenuation of retinal vessels (32.6% vs. 4.3%, p <0.001), AV nicking (14% vs. 2.2%, p=0.053), and vascular tortuosity (18.6% vs. 2.2%, p=0.012), besides decreased visual acuity (53.5% vs. 10.9%, p<0.001) and immature cataracts (34.9% vs. 2.2%, p<0.001). Attenuation of vessels [OR 10.9 (1.7-71), p=0.004] emerged as significantly different from HC after adjusting for covariates in BLR. Notably, adults with IIM were more predisposed to retinal abnormalities [21 (57%) vs. 1 (16%), p=0.068], especially attenuation of vessels [14(38%) vs. 0(0), p=0.067] than jIIM. However, no difference was found in retinal features amongst the subtypes of adult IIM, nor did they correlate with MDAAT, MDI, or HAQ-DI. Conclusion: Retinal microvasculopathy and diminution of vision occur in nearly one-third to half of the patients with IIM. Microvasculopathy occurs across subtypes of IIM, and more so in adults, calling for further investigation as a surrogate for damage assessment and potentially even systemic vascular health.Keywords: idiopathic inflammatory myopathies, vascular health, retinal microvasculopathy, arterial attenuation
Procedia PDF Downloads 89172 Incidence, Risk Factors and Impact of Major Adverse Events Following Paediatric Cardiac Surgery
Authors: Sandipika Gupta
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Objective: Due to admirably low 30-day mortality rates for paediatric cardiac surgery, it is now pertinent to turn towards more intermediate-length outcomes such as morbidities closely associated with these surgeries. One such morbidity, major adverse events (MAE) comprises a group of adverse outcomes associated with paediatric cardiac surgery (e.g. cardiac arrest, major haemorrhage). Methods: This is a retrospective study that analysed the incidence and impact of MAE which was the primary outcome in the UK population. The data was collected in 5 centres between October 2015 and June 2017, amassing 3090 surgical episodes. The incidence and risk factors for MAE, were assessed through descriptive statistical analyses and multivariate logistic regression. The secondary outcomes of life status at 6 months and the length of hospital stay were also evaluated to understand the impact of MAE on patients. Results: Out of 3090 episodes, 134 (4.3%) had a postoperative MAE. The majority of the episodes were in: neonates (47%, P<0.001), high-risk cardiac diagnosis groups (20.1%, P<0.001), episodes with longer 5mes on the bypass (72.4%, P<0.001) and urgent surgeries (57.9%, P<0.001). Episodes reporting MAE also reported longer lengths of stay in hospital (29 days vs 9 days, P<0.001). Furthermore, patients experiencing MAE were at a higher risk of mortality at the 6-month life status check (mortality rates: 29.2% vs 2%, P<0.001).Conclusions: Key risk factors were identified. An important negative impact of MAE was found for patients. The identified risk factors could be used to profile and flag at-risk patients. Monitoring of MAE rates and closer investigation into the care pathway before and after individual MAEs in children’s heart units may lead to a reduction in these terrible events. Procedia PDF Downloads 231171 Modeling of Sediment Yield and Streamflow of Watershed Basin in the Philippines Using the Soil Water Assessment Tool Model for Watershed Sustainability
Authors: Warda L. Panondi, Norihiro Izumi
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Sedimentation is a significant threat to the sustainability of reservoirs and their watershed. In the Philippines, the Pulangi watershed experienced a high sediment loss mainly due to land conversions and plantations that showed critical erosion rates beyond the tolerable limit of -10 ton/ha/yr in all of its sub-basin. From this event, the prediction of runoff volume and sediment yield is essential to examine using the country's soil conservation techniques realistically. In this research, the Pulangi watershed was modeled using the soil water assessment tool (SWAT) to predict its watershed basin's annual runoff and sediment yield. For the calibration and validation of the model, the SWAT-CUP was utilized. The model was calibrated with monthly discharge data for 1990-1993 and validated for 1994-1997. Simultaneously, the sediment yield was calibrated in 2014 and validated in 2015 because of limited observed datasets. Uncertainty analysis and calculation of efficiency indexes were accomplished through the SUFI-2 algorithm. According to the coefficient of determination (R2), Nash Sutcliffe efficiency (NSE), King-Gupta efficiency (KGE), and PBIAS, the calculation of streamflow indicates a good performance for both calibration and validation periods while the sediment yield resulted in a satisfactory performance for both calibration and validation. Therefore, this study was able to identify the most critical sub-basin and severe needs of soil conservation. Furthermore, this study will provide baseline information to prevent floods and landslides and serve as a useful reference for land-use policies and watershed management and sustainability in the Pulangi watershed.Keywords: Pulangi watershed, sediment yield, streamflow, SWAT model
Procedia PDF Downloads 207170 Temperature-Responsive Shape Memory Polymer Filament Integrated Smart Polyester Knitted Fabric Featuring Memory Behavior
Authors: Priyanka Gupta, Bipin Kumar
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Recent developments in smart materials motivate researchers to create novel textile products for innovative and functional applications, which have several potential uses beyond the conventional. This study investigates the memory behavior of shape memory filaments integrated into a knitted textile structure. The research advances the knowledge of how these intelligent materials respond within textile structures. This integration may also open new avenues for developing smart fabrics with unique sensing and actuation capabilities. A shape memory filament and polyester yarn were knitted to produce a shape memory knitted fabric (SMF). Thermo-mechanical tensile test was carried out to quantify the memory behavior of SMF under different conditions. The experimental findings demonstrate excellent shape recovery (100%) and shape fixity up to 88% at different strains (20% and 60%) and temperatures (30 ℃ and 50 ℃). Experimental results reveal that memory filament behaves differently in a fabric structure than in its pristine condition at various temperatures and strains. The cycle test of SMF under different thermo-mechanical conditions indicated complete shape recovery with an increase in shape fixity. So, the utterly recoverable textile structure was achieved after a few initial cycles. These intelligent textiles are beneficial for the development of novel, innovative, and functional fabrics like elegant curtains, pressure garments, compression stockings, etc. In addition to fashion and medical uses, this unique feature may also be leveraged to build textile-based sensors and actuators.Keywords: knitting, memory filament, shape memory, smart textiles, thermo-mechanical cycle
Procedia PDF Downloads 88169 An Electron Microscopic Study of Developing Human Fetal Pancreas
Authors: Gupta Renu, T. S. Roy
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Introduction: For the prospect of successful replacement therapies in treatment of Diabetes mallitus it is necessary to know events occurring during normal human pancreas development. Literature of human pancreas development are few in number as well as mainly related to first trimester because of ethical and technical difficulties. So the study was conducted on 12 fetuses from 12 gestational weeks (GW) to 5 months of infant to know normal development of exocrine and endocrine part of human pancreas. Material and Methods: Human fetalpancreases were screened by haematoxyline and eosin staining and done electron microscopy for suitable specimens to know ultrastructural detail of fetal pancreas. Results:It was observed arborized tubules, the cells budding out from these tubules differentiated into primitive acini and islets in 12thGW. At 14 weeks scanty granules were observed in the endocrine cells which coincided with the capillary invasion of the islets. The ducts and acini were surrounded by well-organized connective tissue. The acinihad elongated cells, small amount of cytoplasm and large open face euchromatic nuclei with single nucleolus. The mature form of islets of Langerhans was observed close to the acini and duct in 20 GW fetus. Connective tissue around the duct was well organized.No significant developmental change was observed early postnatal, infant. Conclusion: The development of both component exocrine as well as endocrine part of human fetal pancreas was studied by light and electron microscopy. Observations suggested that the fetal pancreas contained mainly ducts, few acini, many centroacinar cells, and large undifferentiated tissue.Keywords: gestational weeks (GW), acini, islets of Langerhans, ducts
Procedia PDF Downloads 262168 Study of Demographic, Hematological Profile and Risk Stratification in Chronic Myeloid Leukemia Patients
Authors: Rajandeep Kaur, Rajeev Gupta
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Background: Chronic myeloid leukemia (CML) is the most common leukaemia in India. The annual incidence of chronic myeloid leukemia in India was originally reported to be 0.8 to 2.2 per 1,00,000 population. CML is a clonal disorder that is usually easily diagnosed because the leukemic cells of more than 95% of patients have a distinctive cytogenetic abnormality, the Philadelphia chromosome (Ph1). The approval of tyrosine kinase inhibitors (TKIs), which target BCR-ABL1 kinase activity, has significantly reduced the mortality rate associated with chronic myeloid leukemia (CML) and revolutionized treatment. Material and Methods: 80 diagnosed cases of CML were taken. Investigations were done. Bone marrow and molecular studies were also done and with EUTOS, patients were stratified into low and high-risk groups and then treatment with Imatinib was given to all patients and the molecular response was evaluated at 6 months and 12 months follow up with BCR-ABL by RT-PCR quantitative assay. Results: In the study population, out of 80 patients in the study population, 40 were females and 40 were males, with M: F is 1:1. Out of total 80 patients’ maximum patients (54) were in 31-60 years age group. Our study showed a most common symptom of presentation is abdominal discomfort followed by fever. Out of the total 80 patients, 25 (31.3%) patients had high EUTOS scores and 55 (68.8%) patients had low EUTOS scores. On 6 months follow up 36.3% of patients had Complete Molecular Response, 16.3% of patients had Major Molecular Response and 47.5% of patients had No Molecular Response but on 12 months follow up 71.3% of patients had Complete Molecular Response, 16.25% of patients had Major Molecular Response and 12.5% patients had No Molecular Response. Conclusion: In this study, we found a significant correlation between EUTOS score and Molecular response at 6 months and 12 months follow up after Imatinib therapy.Keywords: chronic myeloid leukemia, European treatment and outcome study score, hematological response, molecular response, tyrosine kinase inhibitor
Procedia PDF Downloads 98167 Impact of a Novel Technique of S-Shaped Tracheostoma in Pediatric Tracheostomy in Intensive Care Unit on Success and Procedure Related Complications
Authors: Devendra Gupta, Sushilk K. Agarwal, Amit Kesari, P. K. Singh
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Objectives: Pediatric patients often may experience persistent respiratory failure that requires tracheostomy placement in Pediatric ICU. We have designed a technique of tracheostomy in pediatric patients with S-shaped incision on the tracheal wall with higher success rate and lower complication rate. Technique: Following general anesthesia and positioning of the patient, the trachea was exposed in midline by a vertical skin incision. In order to make S-shaped tracheostoma, second tracheal ring was identified. The conventional vertical incision was made in second tracheal ring and then extended at both its ends laterally in the inter-cartilaginous space parallel to the tracheal cartilage in the opposite direction to make the incision S-shaped. The trachea was dilated with tracheal dilator and appropriate size of tracheostomy tube was then placed into the trachea. Results: S-shaped tracheostomy was performed in 20 children with mean age of 6.25 years (age range is 2-7) requiring tracheostomy placement. The tracheostomy tubes were successfully placed in all the patients in single attempt. There was no incidence of significant intra-operative bleeding, subcutaneous emphysema, vocal cord palsy or pneumothorax. Two patients developed pneumonia and expired within a year. However, there was no incidence of tracheo-esophageal fistula, suprastomal collapse or difficulty in decannulation on one year of follow up related to our technique. One patient developed late trachietis managed conservatively. Conclusion: S-shaped tracheoplasty was associated with high success rate, reduced risk of the early and late complications in pediatric patients requiring tracheostomy.Keywords: peatrics, tracheostomy, ICU, tracheostoma
Procedia PDF Downloads 263166 Low Temperature Biological Treatment of Chemical Oxygen Demand for Agricultural Water Reuse Application Using Robust Biocatalysts
Authors: Vedansh Gupta, Allyson Lutz, Ameen Razavi, Fatemeh Shirazi
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The agriculture industry is especially vulnerable to forecasted water shortages. In the fresh and fresh-cut produce sector, conventional flume-based washing with recirculation exhibits high water demand. This leads to a large water footprint and possible cross-contamination of pathogens. These can be alleviated through advanced water reuse processes, such as membrane technologies including reverse osmosis (RO). Water reuse technologies effectively remove dissolved constituents but can easily foul without pre-treatment. Biological treatment is effective for the removal of organic compounds responsible for fouling, but not at the low temperatures encountered at most produce processing facilities. This study showed that the Microvi MicroNiche Engineering (MNE) technology effectively removes organic compounds (> 80%) at low temperatures (6-8 °C) from wash water. The MNE technology uses synthetic microorganism-material composites with negligible solids production, making it advantageously situated as an effective bio-pretreatment for RO. A preliminary technoeconomic analysis showed 60-80% savings in operation and maintenance costs (OPEX) when using the Microvi MNE technology for organics removal. This study and the accompanying economic analysis indicated that the proposed technology process will substantially reduce the cost barrier for adopting water reuse practices, thereby contributing to increased food safety and furthering sustainable water reuse processes across the agricultural industry.Keywords: biological pre-treatment, innovative technology, vegetable processing, water reuse, agriculture, reverse osmosis, MNE biocatalysts
Procedia PDF Downloads 127165 Credible Autopsy Report for Investigators and Judiciary
Authors: Sudhir K. Gupta
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Introduction: When a forensic doctor determines that a suspicious death is a suicide, homicide, or accident, the decision virtually becomes incontestable by the investigating police officer, and it becomes an issue whether the medical opinion was created with necessary checks and balances on the other probabilities of the case. It is suggested that the opinion of Forensic Medical experts is conventional, mutable, and shifting from one expert to another. The determination of suicide, accident, or homicide is mandatorily required, which is the Gold Standard for conducting death investigations. Forensic investigations serve many audiences, but the court is by far the most critical. The likely questions on direct and cross-examination determine how forensic doctors gather and handle evidence and what conclusions they reach. Methodology: The author interacted with the investigative authority, and a crime scene visit was also done along with the perusal of the Postmortem report, subsequent opinion, and crime scene photographs and statements of the witness and accused. Further analysis of all relevant scientific documents and opinions of other forensic doctors, forensic scientists, and ballistic experts involved in these cases was done to arrive at an opinion with scientific justification. Findings: The opinions arrived at by the author and how they helped the judiciary in delivering justice in these cases have been discussed in this article. This can help the readers to understand the process involved in formulating a credible forensic medical expert opinion for investigators and the judiciary. Conclusion: A criminal case might be won or lost over doubt cast on the chain of custody. Medically trained forensic doctors, therefore, learn to practice their profession in legally appropriate ways, and opinions must be based on medical justifications with credible references.Keywords: forensic doctor, professional credibility, investigation, expert opinion
Procedia PDF Downloads 74164 Environmental Protection by Optimum Utilization of Car Air Conditioners
Authors: Sanchita Abrol, Kunal Rana, Ankit Dhir, S. K. Gupta
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According to N.R.E.L.’s findings, 700 crore gallons of petrol is used annually to run the air conditioners of passenger vehicles (nearly 6% of total fuel consumption in the USA). Beyond fuel use, the Environmental Protection Agency reported that refrigerant leaks from auto air conditioning units add an additional 5 crore metric tons of carbon emissions to the atmosphere each year. The objective of our project is to deal with this vital issue by carefully modifying the interiors of a car thereby increasing its mileage and the efficiency of its engine. This would consequently result in a decrease in tail emission and generated pollution along with improved car performance. An automatic mechanism, deployed between the front and the rear seats, consisting of transparent thermal insulating sheet/curtain, would roll down as per the requirement of the driver in order to optimize the volume for effective air conditioning, when travelling alone or with a person. The reduction in effective volume will yield favourable results. Even on a mild sunny day, the temperature inside a parked car can quickly spike to life-threatening levels. For a stationary parked car, insulation would be provided beneath its metal body so as to reduce the rate of heat transfer and increase the transmissivity. As a result, the car would not require a large amount of air conditioning for maintaining lower temperature, which would provide us similar benefits. Authors established the feasibility studies, system engineering and primarily theoretical and experimental results confirming the idea and motivation to fabricate and test the actual product.Keywords: automation, car, cooling insulating curtains, heat optimization, insulation, reduction in tail emission, mileage
Procedia PDF Downloads 276163 StockTwits Sentiment Analysis on Stock Price Prediction
Authors: Min Chen, Rubi Gupta
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Understanding and predicting stock market movements is a challenging problem. It is believed stock markets are partially driven by public sentiments, which leads to numerous research efforts to predict stock market trend using public sentiments expressed on social media such as Twitter but with limited success. Recently a microblogging website StockTwits is becoming increasingly popular for users to share their discussions and sentiments about stocks and financial market. In this project, we analyze the text content of StockTwits tweets and extract financial sentiment using text featurization and machine learning algorithms. StockTwits tweets are first pre-processed using techniques including stopword removal, special character removal, and case normalization to remove noise. Features are extracted from these preprocessed tweets through text featurization process using bags of words, N-gram models, TF-IDF (term frequency-inverse document frequency), and latent semantic analysis. Machine learning models are then trained to classify the tweets' sentiment as positive (bullish) or negative (bearish). The correlation between the aggregated daily sentiment and daily stock price movement is then investigated using Pearson’s correlation coefficient. Finally, the sentiment information is applied together with time series stock data to predict stock price movement. The experiments on five companies (Apple, Amazon, General Electric, Microsoft, and Target) in a duration of nine months demonstrate the effectiveness of our study in improving the prediction accuracy.Keywords: machine learning, sentiment analysis, stock price prediction, tweet processing
Procedia PDF Downloads 154162 Genetic Characterization of Acanthamoeba Isolates from Amoebic Keratitis Patients
Authors: Sumeeta Khurana, Kirti Megha, Amit Gupta, Rakesh Sehgal
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Background: Amoebic keratitis is a painful vision threatening infection caused by a free living pathogenic amoeba Acanthamoeba. It can be misdiagnosed and very difficult to treat if not suspected early. The epidemiology of Acanthamoeba genotypes causing infection in our geographical area is not yet known to the best of our knowledge. Objective: To characterize Acanthamoeba isolates from amoebic keratitis patients. Methods: A total of 19 isolates obtained from patients with amoebic keratitis presenting to the Advanced Eye Centre at Postgraduate Institute of Medical Education and Research, a tertiary care centre of North India over a period of last 10 years were included. Their corneal scrapings, lens solution and lens case (in case of lens wearer) were collected for microscopic examination, culture and molecular diagnosis. All the isolates were maintained in the Non Nutrient agar culture medium overlaid with E.coli and 13 strains were axenised and maintained in modified Peptone Yeast Dextrose Agar. Identification of Acanthamoeba genotypes was based on amplification of diagnostic fragment 3 (DF3) region of the 18srRNA gene followed by sequencing. Nucleotide similarity search was performed by BLAST search of sequenced amplicons in GenBank database (http//www.ncbi.nlm.nih.gov/blast). Multiple Sequence alignments were determined by using CLUSTAL X. Results: Nine out of 19 Acanthamoeba isolates were found to belong to Genotype T4 followed by 6 isolates of genotype T11, 3 T5 and 1 T3 genotype. Conclusion: T4 is the predominant Acanthamoeba genotype in our geographical area. Further studies should focus on differences in pathogenicity of these genotypes and their clinical significance.Keywords: Acanthamoeba, free living amoeba, keratitis, genotype, ocular
Procedia PDF Downloads 234161 The 10,000 Fold Effect Retrograde Neurotransmission: A Newer Concept for Paraplegia’s Physiological Revival by the Use of Intrathecal Sodium Nitroprusside
Authors: V. K. Tewari, M. Hussain, H. K. D. Gupta
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B-Methylprednisolone-level-1-benefit (20%) usually given in paraplegia (but within 8hrs). Patients wait-long-duration for physiological-recovery. Intrathecal-Sodium-Nitroprusside(ITSNP) has been used-in vasospasm-due-to-subarachnoid-hemorrhage. ITSNP-has been studied-here for wide-window-period-range for-treatment, fast-recovery/affordability. 2- for acute-cases-and 1-mechanism-for chronic-cases, which-are-interrelated, are being-proposed-for-physiological-recovery. retrograde-neurotransmission, vasospasm and long-term-potentiation-(ltp) mechanisms are proposed here for recovery. It’s a case-control-prospective-study. 82paraplegia-patients(10patients taken as control-no superfusion or dextrose5% superfusion and 72patients as ITSNP-group). The mean time for superfusion was 14.11 days. ITSNP administered at a dosage of 0.2 mg/kg bo wt. Pre/post ITSNP monitored by SSEP/MEP. After-2-Hours in ITSNP-group Mean-Change-From-Baseline-Asia Motor/Sensory-Score 13.84%/13.10%, after-24-hours MOTOR-1.27-points decrease(3.77%) and SENSORY 10.5points-increase(6.22%)as compared to Control-group no-change noted upto 24-hours, At-7days ITSNP motor/sensory;11.56%/6.22% as compared to Control-group 7.60/4.48%, At-2-months in ITSNP 27.69%/6.22% as compared to Control-group 16.02/4.5%. SSEP/MEP-documented-improvements-noted. ITSNP, a-swift-acting-drug in treatment-of-paraplegia, is effective within-two-hours(mean-change-MOTOR-13.84% and SENSORY-13.10%) on-mean14.11th postparaplegia-day with a small-detrimental-response after-24-hours which-recovers-fast.Keywords: paraplegias, intrathecal sodium nitroprusside, retrograde transmission, the 10, 000 fold effect, perforators, vasodilatations, long term potenciations
Procedia PDF Downloads 406160 Identification of Significant Genes in Rheumatoid Arthritis, Melanoma Metastasis, Ulcerative Colitis and Crohn’s Disease
Authors: Krishna Pal Singh, Shailendra Kumar Gupta, Olaf Wolkenhauer
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Background: Our study aimed to identify common genes and potential targets across the four diseases, which include rheumatoid arthritis, melanoma metastasis, ulcerative colitis, and Crohn’s disease. We used a network and systems biology approach to identify the hub gene, which can act as a potential target for all four disease conditions. The regulatory network was extracted from the PPI using the MCODE module present in Cytoscape. Our objective was to investigate the significance of hub genes in these diseases using gene ontology and KEGG pathway enrichment analysis. Methods: Our methodology involved collecting disease gene-related information from DisGeNET databases and performing protein-protein interaction (PPI) network and core genes screening. We then conducted gene ontology and KEGG pathway enrichment analysis. Results: We found that IL6 plays a critical role in all disease conditions and in different pathways that can be associated with the development of all four diseases. Conclusions: The theoretical importance of our research is that we employed various systems and structural biology techniques to identify a crucial protein that could serve as a promising target for treating multiple diseases. Our data collection and analysis procedures involved rigorous scrutiny, ensuring high-quality results. Our conclusion is that IL6 plays a significant role in all four diseases, and it can act as a potential target for treating them. Our findings may have important implications for the development of novel therapeutic interventions for these diseases.Keywords: melanoma metastasis, rheumatoid arthritis, inflammatory bowel diseases, integrated bioinformatics analysis
Procedia PDF Downloads 87159 Effect of Anisotropy on Steady Creep in a Whisker Reinforced Functionally Graded Composite Disc
Authors: V. K. Gupta, Tejeet Singh
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In many whisker reinforced composites, anisotropy may result due to material flow during processing operations such as forging, extrusion etc. The consequence of anisotropy, introduced during processing of disc material, has been investigated on the steady state creep deformations of the rotating disc. The disc material is assumed to undergo plastic deformations according to Hill’s anisotropic criterion. Steady state creep has been analyzed in a constant thickness rotating disc made of functionally graded 6061Al-SiCw (where the subscript ‘w’ stands for whisker) using Hill’s The content of reinforcement (SiCw) in the disc is assumed to decrease linearly from the inner to outer radius. The stresses and strain rates in the disc are estimated by solving the force equilibrium equation along with the constitutive equations describing multi-axial creep. The results obtained for anisotropic FGM disc have been compared with those estimated for isotropic FGM disc having the same average whisker content. The anisotropic constants, appearing in Hill’s yield criterion, have been obtained from the available experimental results. The results show that the presence of anisotropy reduces the tangential stress in the middle of the disc but near the inner and outer radii the tangential stress is higher when compared to isotropic disc. On the other hand, the steady state creep rates in the anisotropic disc are reduced significantly over the entire disc radius, with the maximum reduction observed at the inner radius. Further, in the presence of anisotropy the distribution of strain rate becomes relatively uniform over the entire disc, which may be responsible for reducing the extent of distortion in the disc.Keywords: anisotropy, creep, functionally graded composite, rotating disc
Procedia PDF Downloads 388158 Strategies for Tackling Climate Change: Review of Sustainability and Air-Conditioning
Authors: Tosin T. Oye, Keng Goh, Naren Gupta, Toyosi K. Oye
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One of the most extreme difficulties confronting humankind in the twenty-first century is the consumption of energy. Non-renewable energy sources have been the fundamental energy assets for human culture. The consumption of energy sources emanating from the use of air-conditioning is still causing and has caused harm to the environment and human health. The request for energy could be double or perhaps triple in the future because of the utilization of air-conditioning systems as the worldwide population develops and emerging districts grow their economics. This has recently raised worries in sustainable development over climate change, global warming, ozone layer reduction, health issues, and possible supply problems. As a result of the improvement of way of life, air-conditioning has generally been applied. Nevertheless, environmental pollutions and health issues related with the use of air-conditioning unfolds more as often as possible. In order to diminish their level of undesirable impact on the environment, it is essential to establish suitable strategies for tackling climate change. Therefore, this paper aims to review and analyze studies in sustainability and air- conditioning and subsequently suggest strategies for combatting climate change. Future perspectives for tackling climate change are likewise suggested. The key findings revealed that it is required to establish sustainability measures to reduce the level of energy consumption and carbon emissions in a bid to effectively tackle climate change and its impact on the environment, and then raise public alertness towards the adverse impact of climate change arising from the use of air-conditioning systems. The research outcome offers valuable awareness to the general public, organizations, policymakers, and the government in making future municipal zones sustainable and more climate resilient.Keywords: air-conditioning, climate change, environment, human health, sustainability
Procedia PDF Downloads 123157 Recent Developments in the Application of Deep Learning to Stock Market Prediction
Authors: Shraddha Jain Sharma, Ratnalata Gupta
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Predicting stock movements in the financial market is both difficult and rewarding. Analysts and academics are increasingly using advanced approaches such as machine learning techniques to anticipate stock price patterns, thanks to the expanding capacity of computing and the recent advent of graphics processing units and tensor processing units. Stock market prediction is a type of time series prediction that is incredibly difficult to do since stock prices are influenced by a variety of financial, socioeconomic, and political factors. Furthermore, even minor mistakes in stock market price forecasts can result in significant losses for companies that employ the findings of stock market price prediction for financial analysis and investment. Soft computing techniques are increasingly being employed for stock market prediction due to their better accuracy than traditional statistical methodologies. The proposed research looks at the need for soft computing techniques in stock market prediction, the numerous soft computing approaches that are important to the field, past work in the area with their prominent features, and the significant problems or issue domain that the area involves. For constructing a predictive model, the major focus is on neural networks and fuzzy logic. The stock market is extremely unpredictable, and it is unquestionably tough to correctly predict based on certain characteristics. This study provides a complete overview of the numerous strategies investigated for high accuracy prediction, with a focus on the most important characteristics.Keywords: stock market prediction, artificial intelligence, artificial neural networks, fuzzy logic, accuracy, deep learning, machine learning, stock price, trading volume
Procedia PDF Downloads 88156 Remote Sensing through Deep Neural Networks for Satellite Image Classification
Authors: Teja Sai Puligadda
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Satellite images in detail can serve an important role in the geographic study. Quantitative and qualitative information provided by the satellite and remote sensing images minimizes the complexity of work and time. Data/images are captured at regular intervals by satellite remote sensing systems, and the amount of data collected is often enormous, and it expands rapidly as technology develops. Interpreting remote sensing images, geographic data mining, and researching distinct vegetation types such as agricultural and forests are all part of satellite image categorization. One of the biggest challenge data scientists faces while classifying satellite images is finding the best suitable classification algorithms based on the available that could able to classify images with utmost accuracy. In order to categorize satellite images, which is difficult due to the sheer volume of data, many academics are turning to deep learning machine algorithms. As, the CNN algorithm gives high accuracy in image recognition problems and automatically detects the important features without any human supervision and the ANN algorithm stores information on the entire network (Abhishek Gupta., 2020), these two deep learning algorithms have been used for satellite image classification. This project focuses on remote sensing through Deep Neural Networks i.e., ANN and CNN with Deep Sat (SAT-4) Airborne dataset for classifying images. Thus, in this project of classifying satellite images, the algorithms ANN and CNN are implemented, evaluated & compared and the performance is analyzed through evaluation metrics such as Accuracy and Loss. Additionally, the Neural Network algorithm which gives the lowest bias and lowest variance in solving multi-class satellite image classification is analyzed.Keywords: artificial neural network, convolutional neural network, remote sensing, accuracy, loss
Procedia PDF Downloads 158155 Management of Insect Pests Using Baculovirus Based Biopesticides in India
Authors: Mudasir Gani, Rakesh Kumar Gupta, Kamlesh Bali, Abdul Rouf Wani
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The gypsy moth (Lymantria obfuscata) and tent caterpillar (Malacosoma indicum) are serious pests that attack a wide range of fruit and forest trees in Jammu & Kashmir range of North-Western Himalayas in India. Investigations were carried out to isolate and bioprospect naturally occurring nucleopolyhedroviruses (NPVs) as potent biopesticides against these pests. The biological and molecular characterization of NPV isolates from different ecosystems was conducted, and the polh, lef-8 and lef-9 genes were sequenced and subjected to phylogenetic analysis. The L. obfuscata NPV was more closely related to the L. dispar NPV, whereas M. indicum NPV was more closely related to the M. californicum NPV in the NCBI taxonomy database. Among different isolates, Bhaderwah isolates exhibited highest virus activity (LD₅₀ = 250 POBs/larvae) and speed of kill (ST₅₀ = 6.80 days) against L. obfuscata whereas Mahor isolates proved most virulent against M. indicum, with lowest LD₅₀ (257 POBs/larva) and ST₅₀ (6.80 days). The in vivo mass production for highest productivity and quality revealed that the optimum yield was obtained when 3rd instar larvae were inoculated with a viral dose of 1.44 × 105 POBs/larva and allowed to incubate for nine days for L. obfuscata. However, for M. indicum larvae, a viral dose of 2.88 × 10⁶ POBs/larva and incubation period of 10 days were found optimum. It was found that harvesting of moribund larvae yields good quality NPV. The field application of L. obfuscata NPV and M. indicum NPV against the respective host populations on apple and willow with the pre-standardized dosage of 1 × 10¹² POBs/acre reduced the larval population density up to 25-63%.Keywords: baculoviruses, biopesticides, Lymantria obfuscata, Malacosoma indicum
Procedia PDF Downloads 108154 A Review of the Handling and Disposal of Botulinum Toxin in a Maxillofacial Unit
Authors: Ashana Gupta
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Aim: In the UK, Botulinum Toxin (botox) is authorised for treating chronic myofascial pain secondary to masseter muscle hypertrophy (Fedorowicz et al. 2013). This audit aimed to ensure the Maxillofacial Unit is meeting the trust guidelines for the safe storage and disposal of botox. Method: The trust upholds a strict policy for botox handling. The audit was designed to optimise several elements including Staff awareness of regulations around botox handling A questionnaire was designed to test knowledge of advised storage temperatures, reporting of adverse events, disposal procedures and regulatory authorities. Steps taken to safely delivertoxin and eliminate unused toxin. A checklist was completed. These include marks for storagetemperature, identification checks, disposal of sharps, deactivation of toxin, and disposal. Results: All staff correctly stated storage requirements for toxin. 75% staff (n=8) were unsure about reporting and regulations. Whilst all staff knew how to dispose of vials, 0% staff showed awareness for the crucial step of deactivating toxin. All checklists (n=20) scored 100% for adequate storage, ID checks, and toxin disposal. However, there were no steps taken to deactivate toxin in any cases. Staff training took place with revision to clinical protocols. In line with Trust guidelines, an additional clinical step has been introduced including use of 0.5% sodium hypochlorite to deactivate botox. Conclusion: Deactivation is crucial to ensure residual toxin is not misused. There are cases of stolen botox within South-Tees Hospital (Woodcock, 2014). This audit was successful in increasing compliance to safe handling and disposal of botox by 100% and ensured our hospitalmeets Trust guidance.Keywords: botulinum toxin, aesthetics, handling, disposal
Procedia PDF Downloads 207153 Molecular Epidemiology of Circulating Adenovirus Types in Acute Conjunctivitis Cases in Chandigarh, North India
Authors: Mini P. Singh, Jagat Ram, Archit Kumar, Tripti Rungta, Jasmine Khurana, Amit Gupta, R. K. Ratho
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Introduction: Human adenovirus is the most common agent involved in viral conjunctivitis. The clinical manifestations vary with different serotypes. The identification of the circulating strains followed by phylogenetic analysis can be helpful in understanding the origin and transmission of the disease. The present study aimed to carry out molecular epidemiology of the adenovirus types in the patients with conjunctivitis presenting to the eye centre of a tertiary care hospital in North India. Materials and Methods: The conjunctival swabs were collected from 23 suspected adenoviral conjunctivitis patients between April-August, 2014 and transported in viral transport media. The samples were subjected to nested PCR targeting hexon gene of human adenovirus. The band size of 956bp was eluted and 8 representative positive samples were subjected to sequencing. The sequences were analyzed by using CLUSTALX2.1 and MEGA 5.1 software. Results: The male: female ratio was found to be 3.6:1. The mean age of presenting patients was 43.95 years (+17.2). Approximately 52.1% (12/23) of patients presented with bilateral involvement while 47.8% (11/23) with unilateral involvement of the eye. Human adenovirus DNA could be detected in 65.2% (15/23) of the patients. The phylogenetic analysis revealed presence of serotype 8 in 7 patients and serotype 4 in one patient. The serotype 8 sequences showed 99-100% identity with Tunisian, Indian and Japanese strains. The adenovirus serotype 4 strains had 100% identity with strains from Tunisia, China and USA. Conclusion: Human adenovirus was found be an important etiological agent for conjunctivitis in our set up. The phylogenetic analysis showed that the predominant circulating strains in our epidemic keratoconjunctivitis were serotypes 8 and 4.Keywords: conjunctivitis, human adenovirus, molecular epidemiology, phylogenetics
Procedia PDF Downloads 277152 Effect of Austenitizing Temperature, Soaking Time and Grain Size on Charpy Impact Toughness of Quenched and Tempered Steel
Authors: S. Gupta, R. Sarkar, S. Pathak, D. H. Kela, A. Pramanick, P. Talukdar
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Low alloy quenched and tempered steels are typically used in cast railway components such as knuckles, yokes, and couplers. Since these components experience extensive impact loading during their service life, adequate impact toughness of these grades need to be ensured to avoid catastrophic failure of parts in service. Because of the general availability of Charpy V Test equipment, Charpy test is the most common and economical means to evaluate the impact toughness of materials and is generally used in quality control applications. With this backdrop, an experiment was designed to evaluate the effect of austenitizing temperature, soaking time and resultant grain size on the Charpy impact toughness and the related fracture mechanisms in a quenched and tempered low alloy steel, with the aim of optimizing the heat treatment parameters (i.e. austenitizing temperature and soaking time) with respect to impact toughness. In the first phase, samples were austenitized at different temperatures viz. 760, 800, 840, 880, 920 and 960°C, followed by quenching and tempering at 600°C for 4 hours. In the next phase, samples were subjected to different soaking times (0, 2, 4 and 6 hours) at a fixed austenitizing temperature (980°C), followed by quenching and tempering at 600°C for 4 hours. The samples corresponding to different test conditions were then subjected to instrumented Charpy tests at -40°C and energy absorbed were recorded. Subsequently, microstructure and fracture surface of samples corresponding to different test conditions were observed under scanning electron microscope, and the corresponding grain sizes were measured. In the final stage, austenitizing temperature, soaking time and measured grain sizes were correlated with impact toughness and the fracture morphology and mechanism.Keywords: heat treatment, grain size, microstructure, retained austenite and impact toughness
Procedia PDF Downloads 334151 Beneficiation of Low Grade Chromite Ore and Its Characterization for the Formation of Magnesia-Chromite Refractory by Economically Viable Process
Authors: Amit Kumar Bhandary, Prithviraj Gupta, Siddhartha Mukherjee, Mahua Ghosh Chaudhuri, Rajib Dey
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Chromite ores are primarily used for extraction of chromium, which is an expensive metal. For low grade chromite ores (containing less than 40% Cr2O3), the chromium extraction is not usually economically viable. India possesses huge quantities of low grade chromite reserves. This deposit can be utilized after proper physical beneficiation. Magnetic separation techniques may be useful after reduction for the beneficiation of low grade chromite ore. The sample collected from the sukinda mines is characterized by XRD which shows predominant phases like maghemite, chromite, silica, magnesia and alumina. The raw ore is crushed and ground to below 75 micrometer size. The microstructure of the ore shows that the chromite grains surrounded by a silicate matrix and porosity observed the exposed side of the chromite ore. However, this ore may be utilized in refractory applications. Chromite ores contain Cr2O3, FeO, Al2O3 and other oxides like Fe-Cr, Mg-Cr have a high tendency to form spinel compounds, which usually show high refractoriness. Initially, the low grade chromite ore (containing 34.8% Cr2O3) was reduced at 1200 0C for 80 minutes with 30% coke fines by weight, before being subjected to magnetic separation. The reduction by coke leads to conversion of higher state of iron oxides converted to lower state of iron oxides. The pre-reduced samples are then characterized by XRD. The magnetically inert mass was then reacted with 20% MgO by weight at 1450 0C for 2 hours. The resultant product was then tested for various refractoriness parameters like apparent porosity, slag resistance etc. The results were satisfactory, indicating that the resultant spinel compounds are suitable for refractory applications for elevated temperature processes.Keywords: apparent porosity, beneficiation, low-grade chromite, refractory, spinel compounds, slag resistance
Procedia PDF Downloads 387150 Influence of Catharanthus roseus, Ocimum sanctum and Lantana camara Extracts on Survival and Longevity of Dysdercus koenigii
Authors: Sunil Kayesth, Kamal Kumar Gupta
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The development of resistance among insects and pests, environmental contamination and adverse effects on non-target organisms is contributed by the indiscriminate use of chemical based insecticides. To overcome these environmental and other ecological issues that are need to replace these harmful toxic compounds. The present study was designed to evaluate the effect of Catharanthus roseus, Ocimum sanctum and Lantana camara plants volatiles on survival and longevity of Dysdercus koenigii. The hexane extract and ethanol extracts of these three plants were used. The fifth instars were exposed to hexane extract with concentrations of 10%, 5%, 2.5% 1.25%, 0.1%, 0.5% 0.25%, 0.125% and 0.0625% while, adults were treated with10%, 5%, 2.5% and 1.25%. 1-ml of each of these concentrations was used to make a thin film in sterilized glass jars of 500 ml capacity. Fifteen- newly emerged fifth instar nymphs and adult bugs were treated separately with the extracts for 24- hour exposure to the plant volatiles. For ethanol extracts cottonseed were treated with ethanol extracts of 10%, 5%, 2.5% and 1.25% concentrations. The treated seeds were provided to the Dysdercus for a period of 24 hours and their feeding behaviour was observed. The effect of hexane and ethanol extract of these plants was observed and readings were recorded for 15 days. Survival and longevity of both fifth instars and adults were in correlation with the concentrations of the plant extracts. Among three plant extracts, Ocimum hexane extract was most toxic and Catharanthus was moderate while Lantana was least toxic. The ethanol extracts of Lantana was highly antifeedent while Ocimum was moderate and Catharanthus was least antifeedent. Both Catharanthus and Ocimum appeared to have potential molecules, which possessed insecticidal activity while Ocimum and Lantana showed antifeedent activities. These insecticidal and antifeedent properties may be used in IPM.Keywords: Catharanthus roseus, Ocimum sanctum, Lantana camara, Dysdercus koenigii
Procedia PDF Downloads 317149 Effects of Seed Culture and Attached Growth System on the Performance of Anammox Hybrid Reactor (AHR) Treating Nitrogenous Wastewater
Authors: Swati Tomar, Sunil Kumar Gupta
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The start-up of anammox (anaerobic ammonium oxidation) process in hybrid reactor delineated four distinct phases i.e. cell lysis, lag phase, activity elevation and stationary phase. Cell lysis phase was marked by death and decay of heterotrophic denitrifiers resulting in breakdown of organic nitrogen into ammonium. Lag phase showed initiation of anammox activity with turnover of heterotrophic denitrifiers, which is evident from appearance of NO3-N in the effluent. In activity elevation phase, anammox became the dominant reaction, which can be attributed to consequent reduction of NH4-N into N2 with increased NO3-N in the effluent. Proper selection of mixed seed culture at influent NO2-/NH4+ ratio (1:1) and hydraulic retention time (HRT) of 1 day led to early startup of anammox within 70 days. Pseudo steady state removal efficiencies of NH4+ and NO2- were found as 94.3% and 96.4% respectively, at nitrogen loading rate (NLR) of 0.35 kg N/m3d at an HRT of 1 day. Analysis of the data indicated that attached growth system contributes an additional 11% increase in the ammonium removal and results in an average of 29% reduction in sludge washout rate. Mass balance study of nitrogen indicated that 74.1% of total input nitrogen is converted into N2 gas followed by 11.2% being utilized in biomass development. Scanning electron microscope (SEM) observation of the granular sludge clearly showed the presence of cocci and rod shaped microorganisms intermingled on the external surface of the granules. The average size of anammox granules (1.2-1.5 mm) with an average settling velocity of 45.6 m/h indicated a high degree of granulation resulting into formation of well compacted granules in the anammox process.Keywords: anammox, hybrid reactor, startup, granulation, nitrogen removal, mixed seed culture
Procedia PDF Downloads 183148 Experimental Study on Strength Development of Low Cement Concrete Using Mix Design for Both Binary and Ternary Mixes
Authors: Mulubrhan Berihu, Supratic Gupta, Zena Gebriel
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Due to the design versatility, availability, and cost efficiency, concrete is continuing to be the most used construction material on earth. However, the production of Portland cement, the primary component of concrete mix is causing to have a serious effect on environmental and economic impacts. This shows there is a need to study using of supplementary cementitious materials (SCMs). The most commonly used supplementary cementitious materials are wastes and the use of these industrial waste products has technical, economical and environmental benefits besides the reduction of CO2 emission from cement production. The study aims to document the effect on strength property of concrete due to use of low cement by maximizing supplementary cementitious materials like fly ash or marble powder. Based on the different mix proportion of pozzolana and marble powder a range of mix design was formulated. The first part of the project is to study the strength of low cement concrete using fly ash replacement experimentally. The test results showed that using up to 85 kg/m3 of cement is possible for plain concrete works like hollow block concrete to achieve 9.8 Mpa and the experimental results indicates that strength is a function of w/b. In the second part a new set of mix design has been carried out with fly ash and marble powder to study the strength of both binary and ternary mixes. In this experimental study, three groups of mix design (c+FA, c+FA+m and c+m), four sets of mixes for each group were taken up. Experimental results show that c+FA has maintained the best strength and impermeability whereas c+m obtained less compressive strength, poorer permeability and split tensile strength. c+FA shows a big difference in gaining of compressive strength from 7 days to 28 days compression strength compared to others and this obviously shows the slow rate of hydration of fly ash concrete. As the w/b ratio increases the strength decreases significantly. At the same time higher permeability has been seen in the specimens which were tested for three hours than one hour.Keywords: efficiency factor, cement content, compressive strength, mix proportion, w/c ratio, water permeability, SCMs
Procedia PDF Downloads 206147 ABET Accreditation Process for Engineering and Technology Programs: Detailed Process Flow from Criteria 1 to Criteria 8
Authors: Amit Kumar, Rajdeep Chakrabarty, Ganesh Gupta
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This paper illustrates the detailed accreditation process of Accreditation Board of Engineering and Technology (ABET) for accrediting engineering and Technology programs. ABET is a non-governmental agency that accredits engineering and technology, applied and natural sciences, and computing sciences programs. ABET was founded on 10th May 1932 and was founded by Institute of Electrical and Electronics Engineering. International industries accept ABET accredited institutes having the highest standards in their academic programs. In this accreditation, there are eight criteria in general; criterion 1 describes the student outcome evaluations, criteria 2 measures the program's educational objectives, criteria 3 is the student outcome calculated from the marks obtained by students, criteria 4 establishes continuous improvement, criteria 5 focus on curriculum of the institute, criteria 6 is about faculties of this institute, criteria 7 measures the facilities provided by the institute and finally, criteria 8 focus on institutional support towards staff of the institute. In this paper, we focused on the calculative part of each criterion with equations and suitable examples, the files and documentation required for each criterion, and the total workflow of the process. The references and the values used to illustrate the calculations are all taken from the samples provided at ABET's official website. In the final section, we also discuss the criterion-wise score weightage followed by evaluation with timeframe and deadlines.Keywords: Engineering Accreditation Committee, Computing Accreditation Committee, performance indicator, Program Educational Objective, ABET Criterion 1 to 7, IEEE, National Board of Accreditation, MOOCS, Board of Studies, stakeholders, course objective, program outcome, articulation, attainment, CO-PO mapping, CO-PO-SO mapping, PDCA cycle, degree certificates, course files, course catalogue
Procedia PDF Downloads 57146 Advanced Structural Analysis of Energy Storage Materials
Authors: Disha Gupta
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The aim of this research is to conduct X-ray and e-beam characterization techniques on lithium-ion battery materials for the improvement of battery performance. The key characterization techniques employed are the synchrotron X-ray Absorption Spectroscopy (XAS) combined with X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) to obtain a more holistic approach to understanding material properties. This research effort provides additional battery characterization knowledge that promotes the development of new cathodes, anodes, electrolyte and separator materials for batteries, hence, leading to better and more efficient battery performance. Both ex-situ and in-situ synchrotron experiments were performed on LiFePO₄, one of the most common cathode material, from different commercial sources and their structural analysis, were conducted using Athena/Artemis software. This analysis technique was then further extended to study other cathode materials like LiMnxFe(₁₋ₓ)PO₄ and even some sulphate systems like Li₂Mn(SO₄)₂ and Li₂Co0.5Mn₀.₅ (SO₄)₂. XAS data were collected for Fe and P K-edge for LiFePO4, and Fe, Mn and P-K-edge for LiMnxFe(₁₋ₓ)PO₄ to conduct an exhaustive study of the structure. For the sulphate system, Li₂Mn(SO₄)₂, XAS data was collected at both Mn and S K-edge. Finite Difference Method for Near Edge Structure (FDMNES) simulations were also conducted for various iron, manganese and phosphate model compounds and compared with the experimental XANES data to understand mainly the pre-edge structural information of the absorbing atoms. The Fe K-edge XAS results showed a charge compensation occurring on the Fe atom for all the differently synthesized LiFePO₄ materials as well as the LiMnxFe(₁₋ₓ)PO₄ systems. However, the Mn K-edge showed a difference in results as the Mn concentration changed in the materials. For the sulphate-based system Li₂Mn(SO₄)₂, however, no change in the Mn K-edge was observed, even though electrochemical studies showed Mn redox reactions.Keywords: li-ion batteries, electrochemistry, X-ray absorption spectroscopy, XRD
Procedia PDF Downloads 148145 Effect of Sodium Chloride Concentration and Degree of Neutralization on the Structure and Dynamics of Poly(Methacrylic Acid) (PMA) in Dilute Aqueous Solutions – a Molecular Dynamics Simulations Study
Authors: Abhishek Kumar Gupta
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Atomistic Molecular Dynamics (MD) Simulations have been performed to study the effect of monovalent salt i.e. NaCl concentration (Cs) and chain degree of neutralization (f) on the structure and dynamics of anionic poly(methacrylic acid) (PMA) in dilute aqueous solutions. In the present study, the attention is to unveil the conformational structure, hydrogen-bonding, local polyion-counterion structure, h-bond dynamics, chain dynamics and thermodynamic enthalpy of solvation of a-PMA in dilute aqueous solutions as a function of salt concentration, Cs and f. The results have revealed that at low salt concentration, the conformational radius of gyration (Rg) increases and then decreases reaching a maximum in agreement with the reported light scattering experimental results. The Rg at f = 1 shows a continual decrease and acquire a plateau value at higher salt concentration in agreement with results obtained by light scattering experiments. The radial distribution functions between PMA, salt and water atoms has been computed with respect to atom and centre-of-mass to understand the intermolecular structure in detail. The results pertaining to PMA chain conformations and hydrogen bond autocorrelation function showcasing the h-bond dynamics will be presented. The results pertaining to chain dynamics will be presented. The results pertaining to counterion condensation on the PMA chain shows greater condensation of Na+ ions on to the carboxylate ions with increase in salt concentration. Moreover, the solvation enthalpy of the system as a function of salt concentration will be presented.Keywords: conformations, molecular dynamics simulations, NaCl concentration, radial distribution functions
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