Search results for: quantum resistive vapour sensor
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2117

Search results for: quantum resistive vapour sensor

1097 Educational Deprivation and Their Determinants in India: Evidence from National Sample Survey

Authors: Mukesh Ranjan

Abstract:

Applying probit model on the micro data of NSS 71st round on education for understanding the access to education post the passage of Right to Education act,2009 in India. The empirical analysis shows that at all India level the mean age of enrollment in school is 5.5 years and drop-out age is around 14 years (or studied up to class 7) and around 60 percent females never get enrolled in any school in their lifetime. Nearly 20 percent children in Bihar never seen school and surprisingly, the relatively developed states like Gujarat, Maharashtra, Karnataka, Kerala and Tamil Nadu have more than one-third of the children and half of the children in Andhra Pradesh, West Bengal and Orissa as educationally wasted. The relative contribution in educational wastage is maximum by Bengal (10 %) while UP contributed a maximum of 30 % in educational non-enrollment in the country. Educational wastage is more likely to increase with age. Marriage is a resistive factor in getting education. Muslims are educationally more deprived than Hindus. Larger family and rich household are less likely to be educationally deprived. Major reasons for drop-out until 9 years were lack of interest in education and financial constraint; between 10-12 years, lack of interest and unable to cope up with studies and post 12 years financial constraint, marriage and other household reasons.

Keywords: probit model, educational wastage, educational non-enrollment, educational deprivation

Procedia PDF Downloads 299
1096 Magnetic Braking System of an Elevator in the Event of Sudden Breakage of the Hoisting Cable

Authors: Amita Singha

Abstract:

The project describes the scope of magnetic braking. The potential applications of the braking system can be a de-accelerating system to increase the safety of an elevator or any guided rail transportation system.

Keywords: boost and buck converter, electromagnet, elevator, ferromagnetic material, sensor, solenoid, timer

Procedia PDF Downloads 433
1095 Ab Initio Calculations of Structure and Elastic Properties of BexZn1−xO Alloys

Authors: S. Lakel, F. Elhamra, M. Ibrir, K. Almi

Abstract:

There is a growing interest in Zn1-xBexO (ZBO)/ZnO hetero structures and quantum wells since the band gap energy of Zn1-xBexO solid solutions can be turned over a very large range (3.37–10.6 eV) as a function of the Be composition. ZBO/ZnO has been utilized in ultraviolet light emission diodes and lasers, and may find applications as active elements of various other electronic and optoelectronic devices. Band gap engineering by Be substitution enables the facile preparation of barrier layers and quantum wells in device structures. In addition, ZnO and its ternary alloys, as piezoelectric semiconductors, have been used for high-frequency surface acoustic wave devices in wireless communication systems due to their high acoustic velocities and large electromechanical coupling. However, many important parameters such as elastic constants, bulk modulus, Young’s modulus and band-gap bowing. First-principles calculations of the structural, electrical and elastic properties of Zn1-xBexO as a function of the Be concentration x have been performed within density functional theory using norm-conserving pseudopotentials and local density approximation (LDA) for the exchange and correlation energy. The alloys’ lattice constants may deviate from the Vegard law. As Be concentration increases, the elastic constants, the bulk modulus and Young’s modulus of the alloys increase, the band gap increases with increasing Be concentration and Zn1-xBexO alloys have direct band. Our calculated results are in good agreement with experimental data and other theoretical calculations.

Keywords: DFT calculation, norm-conserving pseudopotentials, ZnBeO alloys, ZnO

Procedia PDF Downloads 516
1094 IoT Based Agriculture Monitoring Framework for Sustainable Rice Production

Authors: Armanul Hoque Shaon, Md Baizid Mahmud, Askander Nobi, Md. Raju Ahmed, Md. Jiabul Hoque

Abstract:

In the Internet of Things (IoT), devices are linked to the internet through a wireless network, allowing them to collect and transmit data without the need for a human operator. Agriculture relies heavily on wireless sensors, which are a vital component of the Internet of Things (IoT). This kind of wireless sensor network monitors physical or environmental variables like temperatures, sound, vibration, pressure, or motion without relying on a central location or sink and collaboratively passes its data across the network to be analyzed. As the primary source of plant nutrients, the soil is critical to the agricultural industry's continued growth. We're excited about the prospect of developing an Internet of Things (IoT) solution. To arrange the network, the sink node collects groundwater levels and sends them to the Gateway, which centralizes the data and forwards it to the sensor nodes. The sink node gathers soil moisture data, transmits the mean to the Gateways, and then forwards it to the website for dissemination. The web server is in charge of storing and presenting the moisture in the soil data to the web application's users. Soil characteristics may be collected using a networked method that we developed to improve rice production. Paddy land is running out as the population of our nation grows. The success of this project will be dependent on the appropriate use of the existing land base.

Keywords: IoT based agriculture monitoring, intelligent irrigation, communicating network, rice production

Procedia PDF Downloads 151
1093 Defect Classification of Hydrogen Fuel Pressure Vessels using Deep Learning

Authors: Dongju Kim, Youngjoo Suh, Hyojin Kim, Gyeongyeong Kim

Abstract:

Acoustic Emission Testing (AET) is widely used to test the structural integrity of an operational hydrogen storage container, and clustering algorithms are frequently used in pattern recognition methods to interpret AET results. However, the interpretation of AET results can vary from user to user as the tuning of the relevant parameters relies on the user's experience and knowledge of AET. Therefore, it is necessary to use a deep learning model to identify patterns in acoustic emission (AE) signal data that can be used to classify defects instead. In this paper, a deep learning-based model for classifying the types of defects in hydrogen storage tanks, using AE sensor waveforms, is proposed. As hydrogen storage tanks are commonly constructed using carbon fiber reinforced polymer composite (CFRP), a defect classification dataset is collected through a tensile test on a specimen of CFRP with an AE sensor attached. The performance of the classification model, using one-dimensional convolutional neural network (1-D CNN) and synthetic minority oversampling technique (SMOTE) data augmentation, achieved 91.09% accuracy for each defect. It is expected that the deep learning classification model in this paper, used with AET, will help in evaluating the operational safety of hydrogen storage containers.

Keywords: acoustic emission testing, carbon fiber reinforced polymer composite, one-dimensional convolutional neural network, smote data augmentation

Procedia PDF Downloads 87
1092 Multimodal Deep Learning for Human Activity Recognition

Authors: Ons Slimene, Aroua Taamallah, Maha Khemaja

Abstract:

In recent years, human activity recognition (HAR) has been a key area of research due to its diverse applications. It has garnered increasing attention in the field of computer vision. HAR plays an important role in people’s daily lives as it has the ability to learn advanced knowledge about human activities from data. In HAR, activities are usually represented by exploiting different types of sensors, such as embedded sensors or visual sensors. However, these sensors have limitations, such as local obstacles, image-related obstacles, sensor unreliability, and consumer concerns. Recently, several deep learning-based approaches have been proposed for HAR and these approaches are classified into two categories based on the type of data used: vision-based approaches and sensor-based approaches. This research paper highlights the importance of multimodal data fusion from skeleton data obtained from videos and data generated by embedded sensors using deep neural networks for achieving HAR. We propose a deep multimodal fusion network based on a twostream architecture. These two streams use the Convolutional Neural Network combined with the Bidirectional LSTM (CNN BILSTM) to process skeleton data and data generated by embedded sensors and the fusion at the feature level is considered. The proposed model was evaluated on a public OPPORTUNITY++ dataset and produced a accuracy of 96.77%.

Keywords: human activity recognition, action recognition, sensors, vision, human-centric sensing, deep learning, context-awareness

Procedia PDF Downloads 96
1091 Advanced Magnetic Field Mapping Utilizing Vertically Integrated Deployment Platforms

Authors: John E. Foley, Martin Miele, Raul Fonda, Jon Jacobson

Abstract:

This paper presents development and implementation of new and innovative data collection and analysis methodologies based on deployment of total field magnetometer arrays. Our research has focused on the development of a vertically-integrated suite of platforms all utilizing common data acquisition, data processing and analysis tools. These survey platforms include low-altitude helicopters and ground-based vehicles, including robots, for terrestrial mapping applications. For marine settings the sensor arrays are deployed from either a hydrodynamic bottom-following wing towed from a surface vessel or from a towed floating platform for shallow-water settings. Additionally, sensor arrays are deployed from tethered remotely operated vehicles (ROVs) for underwater settings where high maneuverability is required. While the primary application of these systems is the detection and mapping of unexploded ordnance (UXO), these system are also used for various infrastructure mapping and geologic investigations. For each application, success is driven by the integration of magnetometer arrays, accurate geo-positioning, system noise mitigation, and stable deployment of the system in appropriate proximity of expected targets or features. Each of the systems collects geo-registered data compatible with a web-enabled data management system providing immediate access of data and meta-data for remote processing, analysis and delivery of results. This approach allows highly sophisticated magnetic processing methods, including classification based on dipole modeling and remanent magnetization, to be efficiently applied to many projects. This paper also briefly describes the initial development of magnetometer-based detection systems deployed from low-altitude helicopter platforms and the subsequent successful transition of this technology to the marine environment. Additionally, we present examples from a range of terrestrial and marine settings as well as ongoing research efforts related to sensor miniaturization for unmanned aerial vehicle (UAV) magnetic field mapping applications.

Keywords: dipole modeling, magnetometer mapping systems, sub-surface infrastructure mapping, unexploded ordnance detection

Procedia PDF Downloads 462
1090 Solid-State Synthesis Approach and Optical study of Red Emitting Phosphors Li₃BaSrxCa₁₋ₓEu₂.₇Gd₀.₃(MoO₄)₈ for White LEDs

Authors: Priyansha Sharma, Sibani Mund, Sivakumar Vaidyanathan

Abstract:

Solid-state synthesis methods were used for the synthesis of pure red emissive Li¬3BaSrxCa(1-x)Eu2.7Gd0.3(MoO4)8 (x = 0.0 to 1.0) phosphors, XRD, SEM, and FTIR spectra were used to characterize the materials, and their optical properties were thoroughly investigated. PL studies were examined at different excitations 230 nm, 275nm, 465nm, and 395 nm. All the spectra show similar emissions with the highest transition at 616 nm due to ED transition. The given phosphor Li¬3BaSr0.25Ca0.75Eu2.7Gd0.3(MoO4)8 shows the highest intensity and is thus chosen for the temperature-dependent and Quantum yield study. According to the PL investigation, the phosphor-containing Eu3+ emits red light due to the (5D0 7F2) transition. The excitation analysis shows that all of the Eu3+ activated phosphors exhibited broad absorption due to the charge transfer band, O2-Mo6+, O2-Eu3+ transition, as well as narrow absorption bands related to the Eu3+ ion's 4f-4f electronic transition. Excitation spectra show Charge transfer band at 275 nm shows the highest intensity. The primary band in the spectra refers to Eu3+ ions occupying the lattice's non-centrosymmetric location. All of the compositions are monoclinic crystal structures with space group C2/c and match with reference powder patterns. The thermal stability of the 3BaSr0.25Ca0.75Eu2.7Gd0.3(MoO4)8 phosphor was investigated at (300 k- 500 K) as well as at low temperature from (20 K to 275 K) to be utilized for red and white LED fabrication. The Decay Lifetime of all the phosphor was measured. The best phosphor was used for White and Red LED fabrication.

Keywords: PL, phosphor, quantum yield, white LED

Procedia PDF Downloads 67
1089 High Sensitive Graphene-Based Strain Sensors for SHM of Composite Laminates

Authors: A. Rinaldi, A. Proietti, C. Aquarelli, F. Marra, A. Tamburrano, M. Ciminello, M. S. Sarto

Abstract:

A new type of high sensitive piezoresistive sensors based on graphene was developed within the SARISTU project for application on Structural Health Monitoring (SHM). The new sensor consists of a graphene-based film, obtained through the spray deposition of a colloidal suspension of Multi-Layer Graphene (MLGs) nano platelets over a substrate. MLGs are produced by liquid exfoliation of thermally expanded Graphite Intercalation Compound. An array of 8 sensors is produced by spray deposition over an aeronautical CFRC plate of dimensions 550 mm (length) × 550 mm (width) × 3 mm (thickness). Electromechanical tests were performed in order to assess the sensitivity of the new piezoresistive sensors, which are characterized by an isotropic response. In the quasi-static characterizations, the CFRC plate was clamped on one side and loaded on the opposite one. The local strain map of the plate was then obtained from displacement measurements and numerical analysis. The dynamic tests were performed lying the plate over an anti-vibration table and actuating a piezoelectric element located in the middle of the sensing array. The obtained experimental results demonstrated that the sensors possess a good repeatability and a high constant gauge factor (~200) in the applied strain range 0.001%-0.02%. Moreover, they can follow dynamics up to 400 kHz and for this reason they are good candidates for Lamb-wave analysis.

Keywords: graphene, strain sensor, spray deposition, lamb-wave analysis

Procedia PDF Downloads 429
1088 Time Integrated Measurements of Radon and Thoron Progeny Concentration in Various Dwellings of Bathinda District of Punjab Using Deposition Based Progeny Sensors

Authors: Kirandeep Kaur, Rohit Mehra, Pargin Bangotra

Abstract:

Radon and thoron are pervasive radioactive gases and so are their progenies. The progenies of radon and thoron are present in the indoor atmosphere as attached/unattached fractions. In the present work, seasonal variation of concentration of attached and total (attached + unattached) nanosized decay products of indoor radon and thoron has been studied in the dwellings of Bathinda District of Punjab using Deposition based progeny sensors over long integrated times, which are independent of air turbulence. The preliminary results of these measurements are reported particularly regarding DTPS (Direct Thoron Progeny Sensor) and DRPS (Direct Radon Progeny Sensor) for the first time in Bathinda. It has been observed that there is a strong linear relationship in total EERC (Equilibrium Equivalent Radon Concentration) and EETC (Equilibrium Equivalent Thoron Concentration) in rainy season (R2 = 0.83). Further a strong linear relation between total indoor radon concentration and attached fraction has also been observed for the same rainy season (R2= 0.91). The concentration of attached progeny of radon (EERCatt) is 76.3 % of the total Equilibrium Equivalent Radon Concentration (EERC).

Keywords: radon, thoron, progeny, DTPS/DRPS, EERC, EETC, seasonal variation

Procedia PDF Downloads 412
1087 Sensing Study through Resonance Energy and Electron Transfer between Föster Resonance Energy Transfer Pair of Fluorescent Copolymers and Nitro-Compounds

Authors: Vishal Kumar, Soumitra Satapathi

Abstract:

Föster Resonance Energy Transfer (FRET) is a powerful technique used to probe close-range molecular interactions. Physically, the FRET phenomenon manifests as a dipole–dipole interaction between closely juxtaposed fluorescent molecules (10–100 Å). Our effort is to employ this FRET technique to make a prototype device for highly sensitive detection of environment pollutant. Among the most common environmental pollutants, nitroaromatic compounds (NACs) are of particular interest because of their durability and toxicity. That’s why, sensitive and selective detection of small amounts of nitroaromatic explosives, in particular, 2,4,6-trinitrophenol (TNP), 2,4-dinitrotoluene (DNT) and 2,4,6-trinitrotoluene (TNT) has been a critical challenge due to the increasing threat of explosive-based terrorism and the need of environmental monitoring of drinking and waste water. In addition, the excessive utilization of TNP in several other areas such as burn ointment, pesticides, glass and the leather industry resulted in environmental accumulation, and is eventually contaminating the soil and aquatic systems. To the date, high number of elegant methods, including fluorimetry, gas chromatography, mass, ion-mobility and Raman spectrometry have been successfully applied for explosive detection. Among these efforts, fluorescence-quenching methods based on the mechanism of FRET show good assembly flexibility, high selectivity and sensitivity. Here, we report a FRET-based sensor system for the highly selective detection of NACs, such as TNP, DNT and TNT. The sensor system is composed of a copolymer Poly [(N,N-dimethylacrylamide)-co-(Boc-Trp-EMA)] (RP) bearing tryptophan derivative in the side chain as donor and dansyl tagged copolymer P(MMA-co-Dansyl-Ala-HEMA) (DCP) as an acceptor. Initially, the inherent fluorescence of RP copolymer is quenched by non-radiative energy transfer to DCP which only happens once the two molecules are within Förster critical distance (R0). The excellent spectral overlap (Jλ= 6.08×10¹⁴ nm⁴M⁻¹cm⁻¹) between donors’ (RP) emission profile and acceptors’ (DCP) absorption profile makes them an exciting and efficient FRET pair i.e. further confirmed by the high rate of energy transfer from RP to DCP i.e. 0.87 ns⁻¹ and lifetime measurement by time correlated single photon counting (TCSPC) to validate the 64% FRET efficiency. This FRET pair exhibited a specific fluorescence response to NACs such as DNT, TNT and TNP with 5.4, 2.3 and 0.4 µM LODs, respectively. The detection of NACs occurs with high sensitivity by photoluminescence quenching of FRET signal induced by photo-induced electron transfer (PET) from electron-rich FRET pair to electron-deficient NAC molecules. The estimated stern-volmer constant (KSV) values for DNT, TNT and TNP are 6.9 × 10³, 7.0 × 10³ and 1.6 × 104 M⁻¹, respectively. The mechanistic details of molecular interactions are established by time-resolved fluorescence, steady-state fluorescence and absorption spectroscopy confirmed that the sensing process is of mixed type, i.e. both dynamic and static quenching as lifetime of FRET system (0.73 ns) is reduced to 0.55, 0.57 and 0.61 ns DNT, TNT and TNP, respectively. In summary, the simplicity and sensitivity of this novel FRET sensor opens up the possibility of designing optical sensor of various NACs in one single platform for developing multimodal sensor for environmental monitoring and future field based study.

Keywords: FRET, nitroaromatic, stern-Volmer constant, tryptophan and dansyl tagged copolymer

Procedia PDF Downloads 130
1086 Improving Activity Recognition Classification of Repetitious Beginner Swimming Using a 2-Step Peak/Valley Segmentation Method with Smoothing and Resampling for Machine Learning

Authors: Larry Powell, Seth Polsley, Drew Casey, Tracy Hammond

Abstract:

Human activity recognition (HAR) systems have shown positive performance when recognizing repetitive activities like walking, running, and sleeping. Water-based activities are a reasonably new area for activity recognition. However, water-based activity recognition has largely focused on supporting the elite and competitive swimming population, which already has amazing coordination and proper form. Beginner swimmers are not perfect, and activity recognition needs to support the individual motions to help beginners. Activity recognition algorithms are traditionally built around short segments of timed sensor data. Using a time window input can cause performance issues in the machine learning model. The window’s size can be too small or large, requiring careful tuning and precise data segmentation. In this work, we present a method that uses a time window as the initial segmentation, then separates the data based on the change in the sensor value. Our system uses a multi-phase segmentation method that pulls all peaks and valleys for each axis of an accelerometer placed on the swimmer’s lower back. This results in high recognition performance using leave-one-subject-out validation on our study with 20 beginner swimmers, with our model optimized from our final dataset resulting in an F-Score of 0.95.

Keywords: time window, peak/valley segmentation, feature extraction, beginner swimming, activity recognition

Procedia PDF Downloads 112
1085 Smart Irrigation Systems and Website: Based Platform for Farmer Welfare

Authors: Anusha Jain, Santosh Vishwanathan, Praveen K. Gupta, Shwetha S., Kavitha S. N.

Abstract:

Agriculture has a major impact on the Indian economy, with the highest employment ratio than any sector of the country. Currently, most of the traditional agricultural practices and farming methods are manual, which results in farmers not realizing their maximum productivity often due to increasing in labour cost, inefficient use of water sources leading to wastage of water, inadequate soil moisture content, subsequently leading to food insecurity of the country. This research paper aims to solve this problem by developing a full-fledged web application-based platform that has the capacity to associate itself with a Microcontroller-based Automated Irrigation System which schedules the irrigation of crops based on real-time soil moisture content employing soil moisture sensors centric to the crop’s requirements using WSN (Wireless Sensor Networks) and M2M (Machine To Machine Communication) concepts, thus optimizing the use of the available limited water resource, thereby maximizing the crop yield. This robust automated irrigation system provides end-to-end automation of Irrigation of crops at any circumstances such as droughts, irregular rainfall patterns, extreme weather conditions, etc. This platform will also be capable of achieving a nationwide united farming community and ensuring the welfare of farmers. This platform is designed to equip farmers with prerequisite knowledge on tech and the latest farming practices in general. In order to achieve this, the MailChimp mailing service is used through which interested farmers/individuals' email id will be recorded and curated articles on innovations in the world of agriculture will be provided to the farmers via e-mail. In this proposed system, service is enabled on the platform where nearby crop vendors will be able to enter their pickup locations, accepted prices and other relevant information. This will enable farmers to choose their vendors wisely. Along with this, we have created a blogging service that will enable farmers and agricultural enthusiasts to share experiences, helpful knowledge, hardships, etc., with the entire farming community. These are some of the many features that the platform has to offer.

Keywords: WSN (wireless sensor networks), M2M (M/C to M/C communication), automation, irrigation system, sustainability, SAAS (software as a service), soil moisture sensor

Procedia PDF Downloads 122
1084 Photoluminescence and Spectroscopic Studies of Tm3+ Ions Doped Lead Tungsten Tellurite Glasses for Visible Red and Near-Ir Laser Applications

Authors: M. Venkateswarlu, Srinivasa Rao Allam, S. K. Mahamuda, K. Swapna, G. Vijaya Prakash

Abstract:

Lead Tungsten Tellurite (LTT) glasses doped with different concentrations of Tm3+ ions were prepared by using melt quenching technique and characterized through optical absorption, photoluminescence and decay spectral studies to know the feasibility of using these glasses as luminescent devices in visible Red and NIR regions. By using optical absorption spectral data, the energy band gaps for all the glasses were evaluated and were found to be in the range of 2.34-2.59 eV; which is very useful for the construction of optical devices. Judd-Ofelt (J-O)theory has been applied to the optical absorption spectral profiles to calculate the J-O intensity parameters Ωλ (λ=2, 4 and 6) and consecutively used to evaluate various radiative properties such as radiative transition probability (AR), radiative lifetimes (τ_R) and branching ratios (β_R) for the prominent luminescent levels. The luminescence spectra for all the LTT glass samples have shown two intense peaks in bright red and Near Infrared regions at 650 nm (1G4→3F4) and 800 nm (3H4→3H6) respectively for which effective bandwidths (〖Δλ〗_P), experimental branching ratios (β_exp) and stimulated emission cross-sections (σ_se) are evaluated. The decay profiles for all the glasses were also recorded to measure the quantum efficiency of the prepared LTT glasses by coupling the radiative and experimental lifetimes. From the measured emission cross-sections, quantum efficiency and CIE chromaticity coordinates, it was found that 0.5 mol% of Tm3+ ions doped LTT glass is most suitable for generating bright visible red and NIR lasers to operate at 650 and 800 nm respectively.

Keywords: glasses, JO parameters, optical materials, thullium

Procedia PDF Downloads 247
1083 Comparison between Bernardi’s Equation and Heat Flux Sensor Measurement as Battery Heat Generation Estimation Method

Authors: Marlon Gallo, Eduardo Miguel, Laura Oca, Eneko Gonzalez, Unai Iraola

Abstract:

The heat generation of an energy storage system is an essential topic when designing a battery pack and its cooling system. Heat generation estimation is used together with thermal models to predict battery temperature in operation and adapt the design of the battery pack and the cooling system to these thermal needs guaranteeing its safety and correct operation. In the present work, a comparison between the use of a heat flux sensor (HFS) for indirect measurement of heat losses in a cell and the widely used and simplified version of Bernardi’s equation for estimation is presented. First, a Li-ion cell is thermally characterized with an HFS to measure the thermal parameters that are used in a first-order lumped thermal model. These parameters are the equivalent thermal capacity and the thermal equivalent resistance of a single Li-ion cell. Static (when no current is flowing through the cell) and dynamic (making current flow through the cell) tests are conducted in which HFS is used to measure heat between the cell and the ambient, so thermal capacity and resistances respectively can be calculated. An experimental platform records current, voltage, ambient temperature, surface temperature, and HFS output voltage. Second, an equivalent circuit model is built in a Matlab-Simulink environment. This allows the comparison between the generated heat predicted by Bernardi’s equation and the HFS measurements. Data post-processing is required to extrapolate the heat generation from the HFS measurements, as the sensor records the heat released to the ambient and not the one generated within the cell. Finally, the cell temperature evolution is estimated with the lumped thermal model (using both HFS and Bernardi’s equation total heat generation) and compared towards experimental temperature data (measured with a T-type thermocouple). At the end of this work, a critical review of the results obtained and the possible mismatch reasons are reported. The results show that indirectly measuring the heat generation with HFS gives a more precise estimation than Bernardi’s simplified equation. On the one hand, when using Bernardi’s simplified equation, estimated heat generation differs from cell temperature measurements during charges at high current rates. Additionally, for low capacity cells where a small change in capacity has a great influence on the terminal voltage, the estimated heat generation shows high dependency on the State of Charge (SoC) estimation, and therefore open circuit voltage calculation (as it is SoC dependent). On the other hand, with indirect measuring the heat generation with HFS, the resulting error is a maximum of 0.28ºC in the temperature prediction, in contrast with 1.38ºC with Bernardi’s simplified equation. This illustrates the limitations of Bernardi’s simplified equation for applications where precise heat monitoring is required. For higher current rates, Bernardi’s equation estimates more heat generation and consequently, a higher predicted temperature. Bernardi´s equation accounts for no losses after cutting the charging or discharging current. However, HFS measurement shows that after cutting the current the cell continues generating heat for some time, increasing the error of Bernardi´s equation.

Keywords: lithium-ion battery, heat flux sensor, heat generation, thermal characterization

Procedia PDF Downloads 380
1082 Conceptual and Preliminary Design of Landmine Searching UAS at Extreme Environmental Condition

Authors: Gopalasingam Daisan

Abstract:

Landmines and ammunitions have been creating a significant threat to the people and animals, after the war, the landmines remain in the land and it plays a vital role in civilian’s security. Especially the Children are at the highest risk because they are curious. After all, an unexploded bomb can look like a tempting toy to an inquisitive child. The initial step of designing the UAS (Unmanned Aircraft Systems) for landmine detection is to choose an appropriate and effective sensor to locate the landmines and other unexploded ammunitions. The sensor weight and other components related to the sensor supporting device’s weight are taken as a payload weight. The mission requirement is to find the landmines in a particular area by making a proper path that will cover all the vicinity in the desired area. The weight estimation of the UAV (Unmanned Aerial Vehicle) can be estimated by various techniques discovered previously with good accuracy at the first phase of the design. The next crucial part of the design is to calculate the power requirement and the wing loading calculations. The matching plot techniques are used to determine the thrust-to-weight ratio, and this technique makes this process not only easiest but also precisely. The wing loading can be calculated easily from the stall equation. After these calculations, the wing area is determined from the wing loading equation and the required power is calculated from the thrust to weight ratio calculations. According to the power requirement, an appropriate engine can be selected from the available engine from the market. And the wing geometric parameter is chosen based on the conceptual sketch. The important steps in the wing design to choose proper aerofoil and which will ensure to create sufficient lift coefficient to satisfy the requirements. The next component is the tail; the tail area and other related parameters can be estimated or calculated to counteract the effect of the wing pitching moment. As the vertical tail design depends on many parameters, the initial sizing only can be done in this phase. The fuselage is another major component, which is selected based on the slenderness ratio, and also the shape is determined on the sensor size to fit it under the fuselage. The landing gear is one of the important components which is selected based on the controllability and stability requirements. The minimum and maximum wheel track and wheelbase can be determined based on the crosswind and overturn angle requirements. The minor components of the landing gear design and estimation are not the focus of this project. Another important task is to calculate the weight of the major components and it is going to be estimated using empirical relations and also the mass is added to each such component. The CG and moment of inertia are also determined to each component separately. The sensitivity of the weight calculation is taken into consideration to avoid extra material requirements and also reduce the cost of the design. Finally, the aircraft performance is calculated, especially the V-n (velocity and load factor) diagram for different flight conditions such as not disturbed and with gust velocity.

Keywords: landmine, UAS, matching plot, optimization

Procedia PDF Downloads 168
1081 Properties and Antimicrobial Activity of Fish Protein Isolate/Fish Skin Gelatin Film Containing Basil Leaf Essential Oil and Zinc Oxide Nanoparticles

Authors: Yasir Ali Arfat

Abstract:

Composite films based on fish protein isolate (FPI) and fish skin gelatin (FSG) blend incorporated with 50 and 100% (w/w, protein) basil leaf essential oil (BEO) in the absence and presence of 3% (w/w, protein) ZnO nanoparticles (ZnONP) were prepared and characterised. Tensile strength (TS) decreased, whilst elongation at break (EAB) increased as BEO level increased (p < 0.05). However, ZnONP addition resulted in higher TS but lower EAB (p < 0.05). The lowest water vapour permeability (WVP) was observed for the film incorporated with 100% BEO and 3% ZnONP (p < 0.05). BEO and ZnONP incorporation decreased transparency of FPI/FSG films (p < 0.05). FTIR spectra indicated that films added with BEO exhibited higher hydrophobicity. Both BEO and ZnONP had a marked impact on thermal stability of the films. Microstructural study revealed that presence of ZnONP prevented bilayer formation of film containing 100% BEO. FPI/FSG films incorporated with 100% BEO, especially in combination with ZnONP, exhibited strong antibacterial activity against food pathogenic and spoilage bacteria and thus could be used as an active food packaging material to ensure safety and to extend the shelf-life of packaged foods.

Keywords: bionanocomposite, fish protein isolate, fish skin gelatin, basil essential oil, ZnO nanoparticles, antimicrobial packaging

Procedia PDF Downloads 465
1080 Characterization of Nanostructured and Conventional TiAlN and AlCrN Coated ASTM-SA213-T-11 Boiler Steel

Authors: Vikas Chawla, Buta Singh Sidhu, Amita Rani, Amit Handa

Abstract:

The main objective of the present work is microstructural and mechanical characterization of the conventional and nanostructured TiAlN and AlCrN coatings deposited on T-11 boiler steel. In case of conventional coatings, Al-Cr and Ti-Al metallic powders were deposited using plasma spray process followed by gas nitriding of the surface which was done in the lab with optimized parameters after conducting several trials on plasma-sprayed coated specimens. The physical vapor deposition process (PAPVD) was employed for depositing nanostructured TiAlN and AlCrN coatings. The field emission scanning electron microscopy (FE-SEM) with energy dispersive X-ray analysis (EDAX) attachment, X-ray diffraction (XRD) analysis, atomic force microscopy (AFM) analysis and the X-Ray mapping analysis techniques have been used to study surface and cross-sectional morphology of the coatings. The surface roughness and micro-hardness were also measured. A good adhesion of the conventional thick TiAlN and AlCrN coatings was found. The coatings under study are recommended for the applications to super-heater and re-heater tubes of the boilers based upon the outcomes of the research work.

Keywords: nanostructure, physical vapour deposition, oxides, thin films, electron microscopy

Procedia PDF Downloads 135
1079 Tuning the Emission Colour of Phenothiazine by Introduction of Withdrawing Electron Groups

Authors: Andrei Bejan, Luminita Marin, Dalila Belei

Abstract:

Phenothiazine with electron-rich nitrogen and sulfur heteroatoms has a high electron-donating ability which promotes a good conjugation and therefore low band-gap with consequences upon charge carrier mobility improving and shifting of light emission in visible domain. Moreover, its non-planar butterfly conformation inhibits molecular aggregation and thus preserves quite well the fluorescence quantum yield in solid state compared to solution. Therefore phenothiazine and its derivatives are promising hole transport materials for use in organic electronic and optoelectronic devices as light emitting diodes, photovoltaic cells, integrated circuit sensors or driving circuits for large area display devices. The objective of this paper was to obtain a series of new phenothiazine derivatives by introduction of different electron withdrawing substituents as formyl, carboxyl and cyanoacryl units in order to create a push pull system which has potential to improve the electronic and optical properties. Bromine atom was used as electrono-donor moiety to extend furthermore the existing conjugation. The understudy compounds were structural characterized by FTIR and 1H-NMR spectroscopy and single crystal X-ray diffraction. Besides, the single crystal X-ray diffraction brought information regarding the supramolecular architecture of the compounds. Photophysical properties were monitored by UV-vis and photoluminescence spectroscopy, while the electrochemical behavior was established by cyclic voltammetry. The absorption maxima of the studied compounds vary in a large range (322-455 nm), reflecting the different electronic delocalization degree, depending by the substituent nature. In a similar manner, the emission spectra reveal different color of emitted light, a red shift being evident for the groups with higher electron withdrawing ability. The emitted light is pure and saturated for the compounds containing strong withdrawing formyl or cyanoacryl units and reach the highest quantum yield of 71% for the compound containing bromine and cyanoacrilic units. Electrochemical study show reversible oxidative and reduction processes for all the compounds and a close correlation of the HOMO-LUMO band gap with substituent nature. All these findings suggest the obtained compounds as promising materials for optoelectronic devices.

Keywords: electrochemical properties, phenothiazine derivatives, photoluminescence, quantum yield

Procedia PDF Downloads 328
1078 Mitigating the Aggregation of Human Islet Amyloid Polypeptide with Nanomaterials

Authors: Ava Faridi, Pouya Faridi, Aleksandr Kakinen, Ibrahim Javed, Thomas P. Davis, Pu Chun Ke

Abstract:

Human islet amyloid polypeptide (IAPP) is a hormone associated with glycemic control and type 2 diabetes. Biophysically, the chirality of IAPP fibrils has been little explored with respect to the aggregation and toxicity of the peptide. Biochemically, it remains unclear as for how protein expression in pancreatic beta cells may be altered by cell exposure to the peptide, and how such changes may be mitigated by nanoparticle inhibitors for IAPP aggregation. In this study, we first demonstrated the elimination of the IAPP nucleation phase and shortening of its elongation phase by silica nanoribbons. This accelerated IAPP fibrillization translated to reduced toxicity, especially for the right-handed silica nanoribbons, as revealed by cell viability, helium ion microscopy, as well as zebrafish embryo survival, developmental and behavioral assays. We then examined the proteomes of βTC6 pancreatic beta cells exposed to the three main aggregation states of monomeric, oligomeric and amyloid fibrillar IAPP, and compared that with cellular protein expression modulated by graphene quantum dots (GQDs). A total of 29 proteins were significantly regulated by different forms of IAPP, and the majority of these proteins were nucleotide-binding proteins. A regulatory capacity of GQDs against aberrant protein expression was confirmed. These studies have demonstrated the great potential of employing nanomaterials targeting the mesoscopic enantioselectivity and protein expression dysregulation in pancreatic beta cells.

Keywords: graphene quantum dots, IAPP, silica nanoribbons, protein expression, toxicity

Procedia PDF Downloads 137
1077 Photoluminescence and Energy Transfer Studies of Dy3+ Ions Doped Lithium Lead Alumino Borate Glasses for W-LED and Laser Applications

Authors: Nisha Deopa, A. S. Rao

Abstract:

Lithium Lead Alumino Borate (LiPbAlB) glasses doped with different Dy3+ ions concentration were synthesized to investigate their viability in solid state lighting (SSL) technology by melt quenching techniques. From the absorption spectra, bonding parameters (ð) were investigated to study the nature of bonding between Dy3+ ions and its surrounding ligands. Judd-Ofelt (J-O) intensity parameters (Ω = 2, 4, 6), estimated from the experimental oscillator strengths (fex) of the absorption spectral features were used to evaluate the radiative parameters of different transition levels. From the decay curves, experimental lifetime (τex) were measured and coupled with the radiative lifetime to evaluate the quantum efficiency of the as-prepared glasses. As Dy3+ ions concentration increases, decay profile changes from exponential to non-exponential through energy transfer mechanism (ETM) in turn decreasing experimental lifetime. In order to investigate the nature of ETM, non-exponential decay curves were fitted to Inkuti–Hirayama (I-H) model which further confirms dipole-dipole interaction. Among all the emission transition, 4F9/2  6H15/2 transition (483 nm) is best suitable for lasing potentialities. By exciting titled glasses in n-UV to blue regions, CIE chromaticity coordinates and Correlated Color Temperature (CCT) were calculated to understand their capability in cool white light generation. From the evaluated radiative parameters, CIE co-ordinates, quantum efficiency and confocal images it was observed that glass B (0.5 mol%) is a potential candidate for developing w-LEDs and lasers.

Keywords: energy transfer, glasses, J-O parameters, photoluminescence

Procedia PDF Downloads 209
1076 Optimization of Fused Deposition Modeling 3D Printing Process via Preprocess Calibration Routine Using Low-Cost Thermal Sensing

Authors: Raz Flieshman, Adam Michael Altenbuchner, Jörg Krüger

Abstract:

This paper presents an approach to optimizing the Fused Deposition Modeling (FDM) 3D printing process through a preprocess calibration routine of printing parameters. The core of this method involves the use of a low-cost thermal sensor capable of measuring tempera-tures within the range of -20 to 500 degrees Celsius for detailed process observation. The calibration process is conducted by printing a predetermined path while varying the process parameters through machine instructions (g-code). This enables the extraction of critical thermal, dimensional, and surface properties along the printed path. The calibration routine utilizes computer vision models to extract features and metrics from the thermal images, in-cluding temperature distribution, layer adhesion quality, surface roughness, and dimension-al accuracy and consistency. These extracted properties are then analyzed to optimize the process parameters to achieve the desired qualities of the printed material. A significant benefit of this calibration method is its potential to create printing parameter profiles for new polymer and composite materials, thereby enhancing the versatility and application range of FDM 3D printing. The proposed method demonstrates significant potential in enhancing the precision and reliability of FDM 3D printing, making it a valuable contribution to the field of additive manufacturing.

Keywords: FDM 3D printing, preprocess calibration, thermal sensor, process optimization, additive manufacturing, computer vision, material profiles

Procedia PDF Downloads 30
1075 The Staphylococcus aureus Exotoxin Recognition Using Nanobiosensor Designed by an Antibody-Attached Nanosilica Method

Authors: Hamed Ahari, Behrouz Akbari Adreghani, Vadood Razavilar, Amirali Anvar, Sima Moradi, Hourieh Shalchi

Abstract:

Considering the ever increasing population and industrialization of the developmental trend of humankind's life, we are no longer able to detect the toxins produced in food products using the traditional techniques. This is due to the fact that the isolation time for food products is not cost-effective and even in most of the cases, the precision in the practical techniques like the bacterial cultivation and other techniques suffer from operator errors or the errors of the mixtures used. Hence with the advent of nanotechnology, the design of selective and smart sensors is one of the greatest industrial revelations of the quality control of food products that in few minutes time, and with a very high precision can identify the volume and toxicity of the bacteria. Methods and Materials: In this technique, based on the bacterial antibody connection to nanoparticle, a sensor was used. In this part of the research, as the basis for absorption for the recognition of bacterial toxin, medium sized silica nanoparticles of 10 nanometer in form of solid powder were utilized with Notrino brand. Then the suspension produced from agent-linked nanosilica which was connected to bacterial antibody was positioned near the samples of distilled water, which were contaminated with Staphylococcus aureus bacterial toxin with the density of 10-3, so that in case any toxin exists in the sample, a connection between toxin antigen and antibody would be formed. Finally, the light absorption related to the connection of antigen to the particle attached antibody was measured using spectrophotometry. The gene of 23S rRNA that is conserved in all Staphylococcus spp., also used as control. The accuracy of the test was monitored by using serial dilution (l0-6) of overnight cell culture of Staphylococcus spp., bacteria (OD600: 0.02 = 107 cell). It showed that the sensitivity of PCR is 10 bacteria per ml of cells within few hours. Result: The results indicate that the sensor detects up to 10-4 density. Additionally, the sensitivity of the sensors was examined after 60 days, the sensor by the 56 days had confirmatory results and started to decrease after those time periods. Conclusions: Comparing practical nano biosensory to conventional methods like that culture and biotechnology methods(such as polymerase chain reaction) is accuracy, sensitiveness and being unique. In the other way, they reduce the time from the hours to the 30 minutes.

Keywords: exotoxin, nanobiosensor, recognition, Staphylococcus aureus

Procedia PDF Downloads 382
1074 Development of a Flexible Lora-Based Wireless Sensory System for Long-Time Health Monitoring of Civil Structures

Authors: Hui Zhang, Sherif Beskhyroun

Abstract:

In this study, a highly flexible LoRa-Based wireless sensing system was used to assess the strain state performance of building structures. The system was developed to address the local damage limitation of structural health monitoring (SHM) systems. The system is part of an intelligent SHM system designed to monitor, collect and transmit strain changes in key structural components. The main purpose of the wireless sensor system is to reduce the development and installation costs, and reduce the power consumption of the system, so as to achieve long-time monitoring. The highly stretchable flexible strain gauge is mounted on the surface of the structure and is waterproof, heat resistant, and low temperature resistant, greatly reducing the installation and maintenance costs of the sensor. The system was also developed with the aim of using LoRa wireless communication technology to achieve both low power consumption and long-distance transmission, therefore solving the problem of large-scale deployment of sensors to cover more areas in large structures. In the long-term monitoring of the building structure, the system shows very high performance, very low actual power consumption, and wireless transmission stability. The results show that the developed system has a high resolution, sensitivity, and high possibility of long-term monitoring.

Keywords: LoRa, SHM system, strain measurement, civil structures, flexible sensing system

Procedia PDF Downloads 100
1073 Using Wearable Device with Neuron Network to Classify Severity of Sleep Disorder

Authors: Ru-Yin Yang, Chi Wu, Cheng-Yu Tsai, Yin-Tzu Lin, Wen-Te Liu

Abstract:

Background: Sleep breathing disorder (SDB) is a condition demonstrated by recurrent episodes of the airway obstruction leading to intermittent hypoxia and quality fragmentation during sleep time. However, the procedures for SDB severity examination remain complicated and costly. Objective: The objective of this study is to establish a simplified examination method for SDB by the respiratory impendence pattern sensor combining the signal processing and machine learning model. Methodologies: We records heart rate variability by the electrocardiogram and respiratory pattern by impendence. After the polysomnography (PSG) been done with the diagnosis of SDB by the apnea and hypopnea index (AHI), we calculate the episodes with the absence of flow and arousal index (AI) from device record. Subjects were divided into training and testing groups. Neuron network was used to establish a prediction model to classify the severity of the SDB by the AI, episodes, and body profiles. The performance was evaluated by classification in the testing group compared with PSG. Results: In this study, we enrolled 66 subjects (Male/Female: 37/29; Age:49.9±13.2) with the diagnosis of SDB in a sleep center in Taipei city, Taiwan, from 2015 to 2016. The accuracy from the confusion matrix on the test group by NN is 71.94 %. Conclusion: Based on the models, we established a prediction model for SDB by means of the wearable sensor. With more cases incoming and training, this system may be used to rapidly and automatically screen the risk of SDB in the future.

Keywords: sleep breathing disorder, apnea and hypopnea index, body parameters, neuron network

Procedia PDF Downloads 146
1072 Variance-Aware Routing and Authentication Scheme for Harvesting Data in Cloud-Centric Wireless Sensor Networks

Authors: Olakanmi Oladayo Olufemi, Bamifewe Olusegun James, Badmus Yaya Opeyemi, Adegoke Kayode

Abstract:

The wireless sensor network (WSN) has made a significant contribution to the emergence of various intelligent services or cloud-based applications. Most of the time, these data are stored on a cloud platform for efficient management and sharing among different services or users. However, the sensitivity of the data makes them prone to various confidentiality and performance-related attacks during and after harvesting. Various security schemes have been developed to ensure the integrity and confidentiality of the WSNs' data. However, their specificity towards particular attacks and the resource constraint and heterogeneity of WSNs make most of these schemes imperfect. In this paper, we propose a secure variance-aware routing and authentication scheme with two-tier verification to collect, share, and manage WSN data. The scheme is capable of classifying WSN into different subnets, detecting any attempt of wormhole and black hole attack during harvesting, and enforcing access control on the harvested data stored in the cloud. The results of the analysis showed that the proposed scheme has more security functionalities than other related schemes, solves most of the WSNs and cloud security issues, prevents wormhole and black hole attacks, identifies the attackers during data harvesting, and enforces access control on the harvested data stored in the cloud at low computational, storage, and communication overheads.

Keywords: data block, heterogeneous IoT network, data harvesting, wormhole attack, blackhole attack access control

Procedia PDF Downloads 73
1071 Effect of Key Parameters on Performances of an Adsorption Solar Cooling Machine

Authors: Allouache Nadia

Abstract:

Solid adsorption cooling machines have been extensively studied recently. They constitute very attractive solutions recover important amount of industrial waste heat medium temperature and to use renewable energy sources such as solar energy. The development of the technology of these machines can be carried out by experimental studies and by mathematical modelisation. This last method allows saving time and money because it is suppler to use to simulate the variation of different parameters. The adsorption cooling machines consist essentially of an evaporator, a condenser and a reactor (object of this work) containing a porous medium, which is in our case the activated carbon reacting by adsorption with ammoniac. The principle can be described as follows: When the adsorbent (at temperature T) is in exclusive contact with vapour of adsorbate (at pressure P), an amount of adsorbate is trapped inside the micro-pores in an almost liquid state. This adsorbed mass m, is a function of T and P according to a divariant equilibrium m=f (T,P). Moreover, at constant pressure, m decreases as T increases, and at constant adsorbed mass P increases with T. This makes it possible to imagine an ideal refrigerating cycle consisting of a period of heating/desorption/condensation followed by a period of cooling/adsorption/evaporation. Effect of key parameters on the machine performances are analysed and discussed.

Keywords: activated carbon-ammoniac pair, effect of key parameters, numerical modeling, solar cooling machine

Procedia PDF Downloads 250
1070 Machine Learning Approach for Stress Detection Using Wireless Physical Activity Tracker

Authors: B. Padmaja, V. V. Rama Prasad, K. V. N. Sunitha, E. Krishna Rao Patro

Abstract:

Stress is a psychological condition that reduces the quality of sleep and affects every facet of life. Constant exposure to stress is detrimental not only for mind but also body. Nevertheless, to cope with stress, one should first identify it. This paper provides an effective method for the cognitive stress level detection by using data provided from a physical activity tracker device Fitbit. This device gathers people’s daily activities of food, weight, sleep, heart rate, and physical activities. In this paper, four major stressors like physical activities, sleep patterns, working hours and change in heart rate are used to assess the stress levels of individuals. The main motive of this system is to use machine learning approach in stress detection with the help of Smartphone sensor technology. Individually, the effect of each stressor is evaluated using logistic regression and then combined model is built and assessed using variants of ordinal logistic regression models like logit, probit and complementary log-log. Then the quality of each model is evaluated using Akaike Information Criterion (AIC) and probit is assessed as the more suitable model for our dataset. This system is experimented and evaluated in a real time environment by taking data from adults working in IT and other sectors in India. The novelty of this work lies in the fact that stress detection system should be less invasive as possible for the users.

Keywords: physical activity tracker, sleep pattern, working hours, heart rate, smartphone sensor

Procedia PDF Downloads 252
1069 Nine-Level Shunt Active Power Filter Associated with a Photovoltaic Array Coupled to the Electrical Distribution Network

Authors: Zahzouh Zoubir, Bouzaouit Azzeddine, Gahgah Mounir

Abstract:

The use of more and more electronic power switches with a nonlinear behavior generates non-sinusoidal currents in distribution networks, which causes damage to domestic and industrial equipment. The multi-level shunt power active filter is subsequently shown to be an adequate solution to the problem raised. Nevertheless, the difficulty of adjusting the active filter DC supply voltage requires another technology to ensure it. In this article, a photovoltaic generator is associated with the DC bus power terminals of the active filter. The proposed system consists of a field of solar panels, three multi-level voltage inverters connected to the power grid and a non-linear load consisting of a six-diode rectifier bridge supplying a resistive-inductive load. Current control techniques of active and reactive power are used to compensate for both harmonic currents and reactive power as well as to inject active solar power into the distribution network. An algorithm of the search method of the maximum power point of type Perturb and observe is applied. Simulation results of the system proposed under the MATLAB/Simulink environment shows that the performance of control commands that reassure the solar power injection in the network, harmonic current compensation and power factor correction.

Keywords: Actif power filter, MPPT, pertub&observe algorithm, PV array, PWM-control

Procedia PDF Downloads 334
1068 A 7 Dimensional-Quantitative Structure-Activity Relationship Approach Combining Quantum Mechanics Based Grid and Solvation Models to Predict Hotspots and Kinetic Properties of Mutated Enzymes: An Enzyme Engineering Perspective

Authors: R. Pravin Kumar, L. Roopa

Abstract:

Enzymes are molecular machines used in various industries such as pharmaceuticals, cosmetics, food and animal feed, paper and leather processing, biofuel, and etc. Nevertheless, this has been possible only by the breath-taking efforts of the chemists and biologists to evolve/engineer these mysterious biomolecules to work the needful. Main agenda of this enzyme engineering project is to derive screening and selection tools to obtain focused libraries of enzyme variants with desired qualities. The methodologies for this research include the well-established directed evolution, rational redesign and relatively less established yet much faster and accurate insilico methods. This concept was initiated as a Receptor Rependent-4Dimensional Quantitative Structure Activity Relationship (RD-4D-QSAR) to predict kinetic properties of enzymes and extended here to study transaminase by a 7D QSAR approach. Induced-fit scenarios were explored using Quantum Mechanics/Molecular Mechanics (QM/MM) simulations which were then placed in a grid that stores interactions energies derived from QM parameters (QMgrid). In this study, the mutated enzymes were immersed completely inside the QMgrid and this was combined with solvation models to predict descriptors. After statistical screening of descriptors, QSAR models showed > 90% specificity and > 85% sensitivity towards the experimental activity. Mapping descriptors on the enzyme structure revealed hotspots important to enhance the enantioselectivity of the enzyme.

Keywords: QMgrid, QM/MM simulations, RD-4D-QSAR, transaminase

Procedia PDF Downloads 133