69 results on '"K. Kanagaraj"'
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2. Derivative Free Regularization Method for Nonlinear Ill-Posed Equations in Hilbert Scales.
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Santhosh George and K. Kanagaraj
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- 2019
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3. Structure aware resource estimation for effective scheduling and execution of data intensive workflows in cloud.
- Author
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K. Kanagaraj and S. Swamynathan 0001
- Published
- 2018
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4. A realistic approach for representing and scheduling workflows in cloud computing environment.
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K. Kanagaraj and S. Swamynathan 0001
- Published
- 2016
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5. A Study on Performance of Dominant Scheduling Algorithms on Standard Workflow Systems in Cloud.
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K. Kanagaraj and S. Swamynathan 0001
- Published
- 2016
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6. Machine learning based e-commerce application using progressive web apps for online shopping of seasonal fruits
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Muthu M. Perumal and K. Kanagaraj
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General Nursing ,Education - Abstract
The key objective of this work is to apply machine learning technique to implement an e-commerce application named eOrchard, a virtual store for online shopping of seasonal fruits. The application is developed using open cart framework, angular and uses the progressive web application development features. Now a days it is very difficult to locate and buy the seasonal fruits around us. The proposed web app will provide information about all kinds of seasonal fruits and facilitates doorstep delivery within a day for locations within the city limits and for location outside the city, delivery can be made within 2 days. Here, the details of all kinds of seasonal fruits are collected along with the geo location tags and stored in the cloud to provide easy access to everyone. Users can order by searching the fruit name or by clicking the city name to know the seasonal fruit that is famous in the selected city. The application provides 24x7 customer support and a step by step tracking system that provide continuous update for the users about the ordered products.
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- 2022
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7. Local convergence analysis of two iterative methods
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Santhosh George, Ioannis K. Argyros, Kedarnath Senapati, and K. Kanagaraj
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Algebra and Number Theory ,Applied Mathematics ,Geometry and Topology ,Analysis - Published
- 2022
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8. Computational Intelligence Approach in Optimizing the Resource Allocation for Workflow Execution in the Cloud
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K KANAGARAJ, S SWAMYNATHAN, and P RADHA
- Abstract
Virtual Machine (VM) assignment is an important phase during workflow execution in the cloud. Identifying a suitable type of VM for executing the workflow is a difficult problem. Cloud resource providers offer diverse categories of VMs to cater the needs of the users and encourage the users to select an appropriate type of VM to reduce the workflow execution time and cost. A suitable VM type can be selected only if the resource requirements of the workflow is known, which a difficult task for cloud users till now. Hence many users depend on general purpose VMs, rather than using a suitable type of VM for their application. This work proposes an intelligent recommendation system that helps the cloud users to select suitable type of VM for their application. The main objective of this work is to identify the type of the workflow using computational intelligence and to recommend a sutitable type of VM for execution. The system uses three supervised learning algorithms such as Probabilistic Neural network (PNN) , Deep Forward Neural Network (DFNN) and Naïve Bayes classier for workflow classification. The Bayes classifier is found be very accurate for workflow classification, when compared to the other algorithms. Also the relative optimality of the classifier is tested using popular workflow scheduling algorithms like ICPCP (IAAS Cloud Partial Critical Path algorithm), MER (Maximum Effective Reduction) and LBS (Level Based Scheduling). The results confirm that the workflow execution time and cost are reduced to a great extent, when executing a workflow using a suitable type of VM than with the general purpose VM.
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- 2023
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9. Data Analytics Framework Based on Cloud Environment
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S. Geetha and K. Kanagaraj
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Computer science ,business.industry ,Real time analytics ,Data analysis ,Cloud computing ,business ,Data science - Published
- 2021
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10. Role of Artificial Intelligence in Transforming Agriculture
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K. Kanagaraj and K. Nalini
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- 2022
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11. Academic Data Analysis and Projection Using Artificial Intelligence
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K. Kanagaraj, Joyce R. Amirtharaj, and K. Ramya Barathi
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- 2022
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12. A Hybrid Framework for Effective Prediction of Online Streaming Data
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S. Geetha and K. Kanagaraj
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History ,Computer science ,Distributed computing ,Streaming data ,Computer Science Applications ,Education - Abstract
In this paper, we present a hybrid model to perform the training and testing of prediction model with online streaming data. Prediction of online streaming data is a time critical task. Huge volume of data that is being generated online need to be ingested to a prediction model and to be used to train and test the prediction model dynamically which improves the learning rate. The existing approaches for dynamic training and testing use the local infrastructure or virtual machines from the cloud infrastructure to increase the learning rate of the prediction model with streaming data. Recently many applications prefer serverless cloud infrastructure than virtual machines. However, using the serverless infrastructure for the entire prediction process will have time and space tradeoffs due to its autonomic feature. Hence in this paper we propose a hybrid approach that uses the three different environments such as the local infrastructure, virtual machine and serverless cloud for different stages. A novel approach to select the suitable environment to train and test the LSTM based air quality prediction model with stream data is proposed with increased learning rate and reduced resource utilization.
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- 2021
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13. Cloud Enabled Intrusion Detector and Alerter Using Improved Deep Learning Technique
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S. Swamynathan, A. Karthikeyan, and K. Kanagaraj
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MQTT ,Contextual image classification ,business.industry ,Computer science ,Deep learning ,Real-time computing ,Wireless ,Cloud computing ,Artificial intelligence ,business ,Convolutional neural network ,Wireless sensor network ,Convolution - Abstract
Deep learning is a popular machine learning technique, used in variety of applications like autonomous vehicles, aerospace and medical research. Wireless Integrated Network Sensors (WINS) is an architecture that provide continuous monitoring and control of an environment with high accuracy and low power consumption. The amalgamation of deep learning and WINS can provide an effective system to monitor the remote environment. In this paper a system is designed using WINS and Improved Convolution Neural Network (ICNN). This can be used to create a virtual wall across the border of the county. This virtual wall is made up of sensors and cameras that are placed at regular intervals. The images of the suspected intruders are captured and are classified by ICNN. The processed image is stored in the fire base cloud which in turn will alert the country border security authorities by sending a message to them using MQTT protocol. This system is effective and can easily identify the intruders instantaneously. The experimental results shows that the improved convolution algorithm performs image classification better and faster than the traditional convolution algorithms.
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- 2018
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14. Workflow Scheduling Using IOT Enabled Reputation of Service Providers in the Cloud
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K. Kanagaraj and S. Swamynathan
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Computer science ,business.industry ,media_common.quotation_subject ,Provisioning ,Cloud computing ,Service provider ,computer.software_genre ,Scheduling (computing) ,Workflow ,Software ,Virtual machine ,business ,computer ,Computer network ,Reputation ,media_common - Abstract
Cloud computing has become the standard and popular resource provisioning mechanism, in which hardware and software resources are provided in pay per use model. Workflow execution in the cloud is a major research area with lots of open and interesting problems. The key challenges in workflow execution in the cloud are, finding a suitable service provider and effective workflow scheduling. Due to the availability of large number of service providers, selecting a reputed service provider is very essential. Selecting a service provider with low reputation may lead to several problems like incorrect resource allocation, over charging and slippage of deadline, and selecting a highly reputed service provider may cost more. Hence this paper propose a reputation based workflow scheduling strategy that calculates the reputation of a cloud service provider (CSP) based on user rating and the actual performance of Virtual Machines (VMs) obtained using IOT enabled devices. Finally a scheduler is used to schedule the workflow with the service provider having the user’s preferred level of reputation and also recommend a suitable scheduling algorithm for executing the workflow.
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- 2017
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15. Comparison on the Biological Effects of Low and High Linear Energy Transfer Radiation and to Calculate Its Relative Biological Effects in Direct and Bystander Cells
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K. Kanagaraj, V. Rajan, V. Perumal, and Badri N. Pandey
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Cancer Research ,Radiation ,Oncology ,High Linear Energy Transfer Radiation ,business.industry ,Bystander effect ,Biophysics ,Medicine ,Radiology, Nuclear Medicine and imaging ,business - Published
- 2019
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16. DNA2 Cooperates with the WRN and BLM RecQ Helicases to Mediate Long-range DNA End Resection in Human Cells
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Sturzenegger A Burdova K Kanagaraj R Levikova M Pinto C Cejka P Janscak P
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congenital, hereditary, and neonatal diseases and abnormalities ,nutritional and metabolic diseases - Abstract
The 5' 3' resection of DNA ends is a prerequisite for the repair of DNA double strand breaks by homologous recombination microhomology mediated end joining and single strand annealing. Recent studies in yeast have shown that following initial DNA end processing by the Mre11 Rad50 Xrs2 complex and Sae2 the extension of resection tracts is mediated either by exonuclease 1 or by combined activities of the RecQ family DNA helicase Sgs1 and the helicase/endonuclease Dna2. Although human DNA2 has been shown to cooperate with the BLM helicase to catalyze the resection of DNA ends it remains a matter of debate whether another human RecQ helicase WRN can substitute for BLM in DNA2 catalyzed resection. Here we present evidence that WRN and BLM act epistatically with DNA2 to promote the long range resection of double strand break ends in human cells. Our biochemical experiments show that WRN and DNA2 interact physically and coordinate their enzymatic activities to mediate 5' 3' DNA end resection in a reaction dependent on RPA. In addition we present in vitro and in vivo data suggesting that BLM promotes DNA end resection as part of the BLM TOPOIIIa RMI1 RMI2 complex. Our study provides new mechanistic insights into the process of DNA end resection in mammalian cells.
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- 2014
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17. Curriculum Reform for Entrepreneurship Education: An Exercise based on Focused Group Deliberations
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K. Kanagaraj and Joy Mukhopadhyay
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Entrepreneurship ,Government ,Data collection ,ComputingMilieux_THECOMPUTINGPROFESSION ,business.industry ,Stakeholder ,Public relations ,Entrepreneurial education ,Focus group ,Entrepreneurship education ,Political science ,Pedagogy ,ComputingMilieux_COMPUTERSANDEDUCATION ,business ,Curriculum - Abstract
This paper is exploratory in nature and an attempt to define and build a theoretical framework of curriculum for new-age entrepreneurs who do not have entrepreneurial background. This paper studies the various perspectives of the stakeholders (students, bankers, government administrators, academicians) on entrepreneurship education and consolidates their opinion. It also discusses some successful models of entrepreneurial education in the West, which are a part of their education system. The data collection was in the form of focus group discussion conducted at a senior academic level consisting of retired and working professors who have taught business administration at various levels. Focus group discussions were also carried out with established and budding entrepreneurs in Bangalore especially in small- and medium-scale enterprises. Inputs from bankers and students were also included as a part of the data collection. The results were compiled and the outcome was provided in the form of a curriculum with the time duration necessary for completing each course and the credit point associated with each course. The result can be used by any institute to develop and standardize a course on entrepreneurship.
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- 2017
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18. A realistic approach for representing and scheduling workflows in cloud computing environment
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S. Swamynathan and K. Kanagaraj
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Business process ,Windows Workflow Foundation ,Computer science ,business.industry ,Distributed computing ,020206 networking & telecommunications ,Cloud computing ,02 engineering and technology ,Workflow engine ,Scheduling (computing) ,Workflow technology ,Workflow ,0202 electrical engineering, electronic engineering, information engineering ,020201 artificial intelligence & image processing ,business ,Critical path method ,Workflow management system - Abstract
Workflow consists of set of tasks used to automate any scientific or business process. Workflows are usually represented as a Directed Acyclic Graph (DAG), in which the nodes represent the tasks involved in the process and the edges represents the dependency between the tasks. Workflow scheduling is the process of assigning the tasks to suitable resources for execution. Even though DAG is the efficient format for representing workflow, it cannot be used directly as input to programs that perform workflow scheduling and execution. Hence representing workflow in a suitable format for scheduling is a major challenge for researchers working in this area. This paper proposes a Realistic Workflow Scheduler that accepts the workflow in graphical format, converts it into a suitable text format and perform appropriate scheduling. The scheduler implements the Workflow Definition Converter (WDC) to convert the workflow represented in graphical format to text file format that can be directly given as input to any program or simulator for scheduling and execution. The Critical Path Finder is used to identify the critical path of the workflow. In addition to that the Deadline Constrained (DC) and Cost Constrained (CC) workflow scheduling algorithms have been implemented to schedule the workflow in a suitable cloud computing environment. The correctness of this work is also verified by scheduling popular workflows like Montage and Inspiral using the proposed scheduler.
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- 2016
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19. Free-Piston Engine Design and Evaluation with Different Compression Ratios
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B. KIRUBADURAI, G. JEGADEESWARI, and K. KANAGARAJA
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two stroke si engine ,computational fluid dynamics ,compression ratios ,piston engines ,heat transfer losses ,Motor vehicles. Aeronautics. Astronautics ,TL1-4050 - Abstract
Free-piston heat engines are being examined by a number of international research groups as an option for conservative technology, as they are not limited by the movement of the crankshaft as in conventional engines. The free-piston engines are employed in applications like power generation using conventional methods. The higher compression ratios provide higher cycle efficiencies and also boost in-cylinder temperatures increasing mechanical stress, pressures, and heat transfer losses. This paper presents different in-cylinder flows by computational fluid dynamics for various compression ratios ranges from 7 to 15 and estimates were made to find best compression ratio for the optimal engine operating performance and characteristic.
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- 2021
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20. A study of Hilfer-Katugampola type pantograph equations with complex order
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S. Harikrishnan, E.M. Elsayed, K. Kanagarajan, and D. Vivek
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Fractional derivative ,Non-local condition ,Ulam–Hyers–Rassias stability ,Complex order ,Mathematics ,QA1-939 - Abstract
This article deals with existence, uniqueness and Ulam–Hyers–Rassias stability solutions for complex order Hilfer-Katugampola type pantograph equations involving initial and nonlocal condition.
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- 2022
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21. Analysis of Knocking Characteristic in Dual Fuel Engine - the Effects on Diethyl Ether
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B. KIRUBADURAI, K. KANAGARAJA, and G. JEGADEESWARI
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knocking ,dual fuel engine ,liquid petroleum product ,diesel ,diethyl ether ,Motor vehicles. Aeronautics. Astronautics ,TL1-4050 - Abstract
In Diesel engines, where fuel is pumped into highly compressed air towards the end of the compression cycle, knocking is more or less unavoidable. By this time there is already a quantity of fuel in the combustion chamber which will first burn in areas of higher oxygen density before the full charge is combusted. The sudden rise in pressure and temperature produces the distinctive 'knock' or 'clatter' diesel, some of which must be allowed in engine design. The aim of knock control strategies is to try to maximize the trade-off between protecting the engine from damaging knock incidents, and optimizing the output torque of the engine. Knock events are a random process and independent. Knock controllers can't be programmed in a deterministic model. Due to the random nature of arriving knock events, a single time history simulation or experiment of knock control methods cannot provide a repeatable measurement of the controller efficiency. The desired trade-off must therefore be achieved in a stochastic context that could provide an appropriate environment for designing and evaluating the output of various knock control strategies with rigorous statistical properties. Clutching characteristics of a dual fuel diesel engine with direct injection of diesel and a liquid petroleum product in dual fuel mode. The engine is tested for knock reduction by adding Diethyl ether in to the diesel along with Liquid petroleum product. Variation of knocking was plotted with respect to different parameters and the result booted as knocking is minimized by the addition of diethyl ether.
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- 2021
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22. Dynamical analysis of Hilfer–Hadamard type fractional pantograph equations via successive approximation
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D. Vivek, Kamal Shah, and K. Kanagarajan
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nonlinear pantograph equation ,hilfer–hadamard fractional derivative ,existence ,fixed point ,successive approximation ,Science (General) ,Q1-390 - Abstract
In this note, we consider a nonlinear pantograph equation with Hilfer–Hadamard fractional derivative. We investigate the existence and continuous dependence results by using successive approximations and generalized Gronwall inequality.
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- 2019
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23. 9.1 Role of MRI in the diagnosis of occult wrist injury following foosh
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D. Robinson, M. Khalid, H. Reed, K. Kanagaraj, and Z. Jummani
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Transplantation ,medicine.medical_specialty ,business.industry ,medicine ,Surgery ,Radiology ,business ,Wrist injury ,Occult - Published
- 2006
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24. Dynamics and stability of ψ-fractional pantograph equations with boundary conditions
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Kamal Shah, D. Vivek, and K. Kanagarajan
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Mathematics ,QA1-939 - Abstract
This manuscript is devoted to obtain some adequate conditions for existence of at least one solution to fractional pantograph equation (FPE) involving the ψ -fractional derivative. The proposed problem is studied under some boundary conditions. Since stability is an important aspect of the qualitative theory. Therefore, we also discuss the Ulam-Hyers and Ulam-Hyers-Rassias type stabilites for the considered problem. Our results are based on some standard fixed point theorems. For the demonstration of our results, we provide an example.
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- 2020
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25. Solutions to ψ-Type Complex Order Delay Differential Equations with Nonlocal Initial Conditions
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D. Vivek, E. M. Elsayed, K. Kanagarajan, and J. Prasanth
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Mathematics ,QA1-939 - Published
- 2020
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26. An Arbitrary Order Differential Equations on Times Scale
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Rabha İbrahim, K. Kanagarajan, and S. Harikrishnana
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fractional calculus ,existence ,ulam-hyers-rassias stability ,Mathematics ,QA1-939 - Abstract
Here existence and stability results of $\psi$-Hilfer fractional differential equations on time scales is obtained. Here sufficient condition for existence and uniqueness of solution by using Schauder's fixed point theorem (FPT) and Banach FPT is produced. In addition, generalized Ulam stability of the proposed problem is also discussed. problem.
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- 2018
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27. Note on the solution of random differential equations via ψ-Hilfer fractional derivative
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S. Harikrishnan, Kamal Shah, Dumitru Baleanu, and K. Kanagarajan
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Random differential equations ,ψ-Hilfer fractional derivative ,Existence theory ,Stability analysis ,Mathematics ,QA1-939 - Abstract
Abstract This manuscript is devoted to an investigation of the existence, uniqueness and stability of random differential equations with ψ-Hilfer fractional derivative. The concerned investigation of existence and uniqueness is obtained via the Schauder fixed point theorem and Banach contraction principle, respectively. Furthermore, for the respective solutions, some results related to different kinds of Ulam type stability including Hyers–Ulam, and generalized Hyers–Ulam, Hyers–Ulam–Rassias are obtained.
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- 2018
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28. Fractional Ulam-stability of fractional impulsive differential equation involving Hilfer-Katugampola fractional differential operator
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Rabha Ibrahim, S. Harikrishnan, and K. Kanagarajan
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fractional calculus ,fractional differential equations ,fractional differential operator ,Mathematics ,QA1-939 - Abstract
In this note, we set up existence, uniqueness as well as the stability of a special class of fractional differential equation (FDE) with Hilfer-Katugampola fractional differential operator (HKFDO). The outcomes are given by employing the Schaefer's fixed point theorem and Banach contraction principle. Moreover, we modify the fractional Ulam stability (FUS) concept utilizing HKFDO.
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- 2018
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29. Nonlocal iterative differential equations under generalized fractional derivatives
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D. Vivek, E. M. Elsayed, and K. Kanagarajan
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Mathematics ,QA1-939 ,Applied mathematics. Quantitative methods ,T57-57.97 - Published
- 2021
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30. A Framework on Enhancing Competency of Bancassurance Staff in Public and Private Sector Banks.
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K., Kanagaraj., J., Savithaa., and N., Panchanatham
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CORE competencies ,JOB skills ,BANK employees ,INSURANCE business activities of banks ,BANKERS - Abstract
This is intended to be a conceptual paper providing a framework for enhancing the skills of bancassurance staff in banks particularly scheduled banks. It's a known fact that bankers are trusted a lot in India (unlike in the west) so many people trust bankers even while purchasing Insurance. However, there is a huge gap in bank officers selling Insurance products as the knowledge of insurance is significantly less as they are often more involved in bank work. This framework was developed after conducting a focus group discussion and interviewing people, both from the banks and the insurance industry. This framework is a combination of theory and practice built on the model of continuing education. It does not offer a perfect solution, but a step towards providing a solution. [ABSTRACT FROM AUTHOR]
- Published
- 2014
31. Dynamics and Stability Results for Hilfer Fractional Type Thermistor Problem
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D. Vivek, K. Kanagarajan, and Seenith Sivasundaram
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nonlocal thermistor problem ,Hilfer fractional derivative ,existence ,Ulam stability ,fixed point ,Thermodynamics ,QC310.15-319 ,Mathematics ,QA1-939 ,Analysis ,QA299.6-433 - Abstract
In this paper, we study the dynamics and stability of thermistor problem for Hilfer fractional type. Classical fixed point theorems are utilized in deriving the results.
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- 2017
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32. Study of dissipation dynamics and persistent toxicity of selected insecticides in chilli using LCMSMS.
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Sivakumar S, Angappan S, Thiyagarajan E, Sankaran SP, Perumal R, Veeranan VAG, Sahoo BK, Kanagaraj K, and Ikram M
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- Animals, Plant Leaves chemistry, Chromatography, Liquid methods, Pyrazoles analysis, Pyrazoles toxicity, Insecticides toxicity, Insecticides analysis, Thysanoptera drug effects, Tandem Mass Spectrometry methods, Pesticide Residues analysis, Pesticide Residues toxicity
- Abstract
Chilli, a globally cultivated and consumed crop is significantly impacted by Thrips parvispinus. The reliance on pesticides could result in residue contamination, adversely affecting quality, leading to export rejections and health risks to consumers. This study evaluated the bioefficacy and persistent toxicity of fipronil and tolfenpyrad against thrips in chilli, and persistence of their residues. Tolfenpyrad demonstrated higher field efficacy (60.94 to 78.53%) against thrips compared to fipronil (37.61 to 58.07%). Residue analysis was performed in leaves and green chilli fruits using LC-MS/MS. Fipronil's efficacy decreased after 5 to 7 days of application, but both fipronil and tolfenpyrad residues remained for 20 and 30 days, respectively. In contrast, the residues in leaves caused persistent toxicity to thrips, causing about 50% mortality until 10 to 15 days in tolfenpyrad treatment. In green chilli, residues of tolfenpyrad and fipronil persisted for up to 40 and 25 days, necessitating pre-harvest intervals of 3.17 and 19.39 to 30.65 days, respectively, but with no dietary risk to consumers. Tolfenpyrad exhibited superior efficacy against T. parvispinus compared to fipronil, with a longer duration of effectiveness in leaves and quicker residue dissipation in chilli fruits and a short pre-harvest interval, supporting its use in Integrated Pest Management., Competing Interests: Declarations. Competing interests: The authors declare no competing interests., (© 2025. The Author(s).)
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- 2025
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33. Natural product extract fractions as potential arthritis treatments: A detailed analysis using in-silico, in-vivo, and in-vitro methods.
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Samy BA, Raman K, Velayutham S, Senthilkumar N, Thirumalaivasan N, Kanagaraj K, Pothu R, Boddula R, Radwan AB, and Al-Qahtani N
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- Humans, Animals, Computer Simulation, Osteoarthritis drug therapy, Antirheumatic Agents therapeutic use, Antirheumatic Agents pharmacology, Biological Products therapeutic use, Biological Products pharmacology, Arthritis, Rheumatoid drug therapy, Anti-Inflammatory Agents therapeutic use, Anti-Inflammatory Agents pharmacology
- Abstract
Two characteristics of the systemic autoimmune disease rheumatoid arthritis (RA) include extra-articular involvement and inflammatory arthritis. It is a long-term inflammatory condition that mostly affects the synovial joints and is often triggered by a confluence of environmental factors, including tobacco use, and genetics. The review investigates natural products' role in arthritis through three key approaches. In-silico analysis identifies molecular mechanisms and targets of these products, revealing their potential for therapeutic use. In-vivo studies evaluate how well these products work and their safety in reducing joint inflammation. In-vitro studies focus on how these compounds interact at the cellular level and their effects on signaling pathways. Together, these approaches offer a comprehensive understanding of how natural products could benefit arthritis management. This review focuses on translational studies and highlights the possible role of natural compounds as adjunctive therapies to conventional arthritis treatments. In conclusion, this study indicates that natural products have potential advantages in treating osteoarthritis and rheumatoid arthritis based on in-silico analysis which shows anti-inflammatory effects, in-vivo studies that reduce joint inflammation, and in-vitro studies that amplify arthritis management. To improve the therapeutic advantages of natural products utilized for treating arthritis, an all-inclusive examination has been done to give direction for the following research efforts., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Author(s). Published by Elsevier B.V. All rights reserved.)
- Published
- 2025
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34. Validation of a blood biomarker panel for machine learning-based radiation biodosimetry in juvenile and adult C57BL/6 mice.
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Nemzow L, Phillippi MA, Kanagaraj K, Shuryak I, Taveras M, Wu X, and Turner HC
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- Animals, Mice, Female, Male, Whole-Body Irradiation, Biomarkers blood, Mice, Inbred C57BL, Machine Learning, Radiometry methods
- Abstract
Following a large-scale radiological event, timely collection of samples from all potentially exposed individuals may be precluded, and high-throughput bioassays capable of rapid and individualized dose assessment several days post-exposure will be essential for population triage and efficient implementation of medical treatment. The objective of this work was to validate the performance of a biomarker panel of radiosensitive intracellular leukocyte proteins (ACTN1, DDB2, and FDXR) and blood cell counts (CD19+ B-cells and CD3+ T-cells) for retrospective classification of exposure and dose estimation up to 7 days post-exposure in an in-vivo C57BL/6 mouse model. Juvenile and adult C57BL/6 mice of both sexes were total body irradiated with 0, 1, 2, 3, or 4 Gy, peripheral blood was collected 1, 4, and 7-days post-exposure, and individual blood biomarkers were quantified by imaging flow cytometry. An ensemble machine learning platform was used to identify the strongest predictor variables and combine them for biodosimetry outputs. This approach generated successful exposure classification (ROC AUC = 0.94, 95% CI: 0.90-0.97) and quantitative dose reconstruction (R
2 = 0.79, RMSE = 0.68 Gy, MAE = 0.53 Gy), supporting the potential utility of the proposed biomarker assay for determining exposure and received dose in an individual., (© 2024. The Author(s).)- Published
- 2024
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35. BAX and DDB2 as biomarkers for acute radiation exposure in the human blood ex vivo and non-human primate models.
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Kanagaraj K, Phillippi MA, Ober EH, Shuryak I, Kleiman NJ, Olson J, Schaaf G, Cline JM, and Turner HC
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- Animals, Humans, Radiation Exposure adverse effects, Male, Radiometry methods, Macaca mulatta, Female, Machine Learning, Radiation Dosage, Biomarkers blood, DNA-Binding Proteins blood, bcl-2-Associated X Protein metabolism, bcl-2-Associated X Protein blood
- Abstract
There are currently no available FDA-cleared biodosimetry tools for rapid and accurate assessment of absorbed radiation dose following a radiation/nuclear incident. Previously we developed a protein biomarker-based FAST-DOSE bioassay system for biodosimetry. The aim of this study was to integrate an ELISA platform with two high-performing FAST-DOSE biomarkers, BAX and DDB2, and to construct machine learning models that employ a multiparametric biomarker strategy for enhancing the accuracy of exposure classification and radiation dose prediction. The bioassay showed 97.92% and 96% accuracy in classifying samples in human and non-human primate (NHP) blood samples exposed ex vivo to 0-5 Gy X-rays, respectively up to 48 h after exposure, and an adequate correlation between reconstructed and actual dose in the human samples (R
2 = 0.79, RMSE = 0.80 Gy, and MAE = 0.63 Gy) and NHP (R2 = 0.80, RMSE = 0.78 Gy, and MAE = 0.61 Gy). Biomarker measurements in vivo from four NHPs exposed to a single 2.5 Gy total body dose showed a persistent upregulation in blood samples collected on days 2 and 5 after irradiation. The data indicates that using a combined approach of targeted proteins can increase bioassay sensitivity and provide a more accurate dose prediction., (© 2024. The Author(s).)- Published
- 2024
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36. Recent Advances of carbon Pathways for Sustainable Environment development.
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Aryamol KS, Kanagaraj K, Nangan S, Haponiuk JT, Okhawilai M, Pandiaraj S, Hanif MB, Alodhayb AN, Thomas S, Thirumalaivasan N, and Gopi S
- Subjects
- Sustainable Development, Quantum Dots chemistry, Green Chemistry Technology methods, Carbon chemistry
- Abstract
Carbon dots (CDs) are an emerging type of carbon nanomaterial with strong biocompatibility, distinct chemical and physical properties, and low toxicity. CDs may emit fluorescence in the ultraviolet (UV) to near-infrared (NIR) range, which renders them beneficial for biomedical applications. CDs are usually made from carbon precursors and can be synthesized using top-down and bottom-up methods and it can be easily functionalized using different methods. For specific cases of biomedical applications carbon dot functionalization augments the materials' characteristics. Novel functionalization techniques are still being investigated. This review will look at the benefits of functionalization to attain a high yield and various biological applications. Biomedical applications such as photodynamic and photothermal therapy, biosensing, bioimaging, and antiviral and antibacterial properties will be covered in this review. The future applications of green synthesized carbon dots will be determined in part by this review., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)
- Published
- 2024
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37. Exploring luminescent carbon dots derived from syrup bottle waste and curcumin for potential antimicrobial and bioimaging applications.
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Thirumalaivasan N, Kanagaraj K, Logesh K, Chandrasekaran S, Kumar S, Subramanian R, Senthilkumar N, Kumar A, Angadi VJ, and A Al-Kahtani A
- Subjects
- Carbon, Consciousness, Fluorescent Dyes, Curcumin pharmacology, Anti-Infective Agents pharmacology, Quantum Dots
- Abstract
In this study, we utilized a navel hybrid material, prepared by fusing fluorescent Carbon Dots SyCDs, derived from syrup bottles, with curcumin. This innovative approach not only offers significant advancements in antimicrobial activity and bioimaging but also represents a stride in sustainable and eco-friendly nanotechnology. The core of our study is the development of an efficient, cost-effective, and environmentally conscious method for synthesizing SyCDs. This is achieved by repurposing waste syrup bottles, thus addressing the pressing issue of plastic waste. The incorporation of curcumin, renowned for its biological properties, enhances the luminescent characteristics of SyCDs and augments their functionality. This combination overcomes the inherent limitations of curcumin when used in isolation. The hybrid material exhibits enhanced antimicrobial properties and proves to be a potent alternative to conventional fluorescent dyes for bioimaging, marking a substantial leap in the field of sustainable nanomaterials. Our work not only demonstrates the versatile applications of luminescent SyCDs in health and environmental science but also underscores the potential of sustainable approaches in addressing global environmental challenges. This study, represents a significant contribution to the domain of sustainable nanotechnology, highlighting the transformative power of integrating waste management with advanced material science., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)
- Published
- 2024
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38. Environmentally benign, bright luminescent carbon dots from IV bag waste and chitosan for antimicrobial and bioimaging applications.
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Ramasubburayan R, Senthilkumar N, Kanagaraj K, Basumatary S, Kathiresan S, Manjunathan J, Revathi M, Selvaraj M, and Prakash S
- Subjects
- Humans, HeLa Cells, Spectroscopy, Fourier Transform Infrared, Carbon chemistry, X-Ray Diffraction, Anti-Bacterial Agents pharmacology, Chitosan chemistry, Anti-Infective Agents, Metal Nanoparticles chemistry
- Abstract
Luminescent carbon dots have gained significant attention in various fields due to their unique optical properties and potential applications. Here, the study was aimed to propose a novel and sustainable approach for the synthesis of luminescent carbon dots (ICDs) using IV (Intravenous) medical bag waste. The ICDs were synthesized through a facile and cost-effective method that involved the carbonization of IV bag waste followed by surface functionalization with chitosan. The synthesized ICDs were characterized using UV-Visible spectrum (UV-Vis), Fourier Transform Infrared Spectroscopy (FT-IR), X-Ray Diffraction analysis (XRD), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The size of the ICDs is between 2 and 8 nm. The ICDs effectively inhibited the growth of both gram positive and gram negative bacterial strains with the inhibitory activity in the range of 11-14 mm and 12-18 mm, respectively. Results of antibiofilm activity of ICDs varying concentrations (50 and 100 μg/ml) showed that it effectively distorted the biofilm architecture and thereby validated its promising potentials. In vitro antioxidant activity showed remarkable DPPH radical scavenging potentials of ICDs (33.4%-70.1%). Results of MTT assay revealted that ICDs showed potent cytotoxic effect on HeLa cells in a dose dependant matter (25-400 μg/ml). Furthermore, when HeLa cells were excited at wavelengths of 380 nm, 440 nm and 540 nm, cell-imaging experiments using ICDs revealed the presence of blue, green, and red fluorescence. This innovative method not only addresses the issue of IV bag waste in a sustainable manner but also opens up exciting possibilities for the advancement of versatile carbon-based materials in the field of biomedicine., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Inc. All rights reserved.)
- Published
- 2023
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39. Sustainable preparation of luminescent carbon dots from syringe waste and hyaluronic acid for cellular imaging and antimicrobial applications.
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Nangan S, Kanagaraj K, Kaarthikeyan G, Kumar A, Ubaidullah M, Pandit B, Govindasamy R, and Natesan T
- Abstract
Addressing the global challenge of persistent waste through an eco-conscious strategy to transform it into valuable and versatile materials holds great significance in today's swiftly evolving world. By adopting a sustainable approach, we can repurpose waste syringes composed of polytetrafluoroethylene (PTFE) into fluorescent carbon dots (CDs) using a simple hydrothermal process. This research harnessed hyaluronic acid to carbonize and modify discarded plastic syringes, resulting in the creation of luminescent syringe carbon dots (SCDs). Rigorous analysis employing diverse techniques delved into their optical attributes, size distribution, and surface characteristics. Extensive biocompatibility assessments using established assay methods confirmed the safety of the derived SCDs, unveiling their potential antibacterial and antifungal traits. Additionally, a confocal microscope was employed to evaluate the cellular imaging capabilities of SCDs on HeLa cells. Notably, at bactericidal concentrations, SCDs exhibited mild cytotoxicity towards mammalian cells, showcasing cell viability surpassing 91.07% at 1 mg/mL. This pioneering exploration paves the way for potential applications of SCD-based nano-bactericides across various biomedical domains. The initial outcomes established herein mark a significant stride towards the creation of cost-effective and ecologically sound fluorescent probes for biomedical imaging, aimed at combating microbial infections. By ingeniously reutilizing polyethylene terephthalate (PET), this investigation offers a sustainable remedy to address the ecological predicaments linked with plastic waste. In doing so, it charts a course towards contributing to the development of affordable, eco-friendly solutions, heralding a promising prospect for a cleaner, healthier environment., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Inc. All rights reserved.)
- Published
- 2023
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40. Control of reactivity and selectivity in isomerization and rearrangement reactions inside confined spaces.
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Kanagaraj K, Rebek J Jr, and Yu Y
- Abstract
In the confined space of supramolecular systems, the substrate can be forced into a reactive conformation and labile intermediates may be stabilized while isolated from the bulk solution. In this highlight, unusual processes mediated by supramolecular hosts are described. These include unfavourable conformational equilibria, unusual product selectivities in bond and ring-chain isomerizations, accelerated rearrangement reactions through labile intermediates, and encapsulated oxidations. In the host, controlled or altered isomerization of the guests can occur via hydrophobic, photochemical and thermal interventions. The inner spaces of the hosts resemble enzyme cavities that stabilize labile intermediates not accessible in the bulk solvent. The effects of confinement and the binding forces involved are discussed and further applications are suggested.
- Published
- 2023
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41. Selective Binding and Isomerization of Oximes in a Self-Assembled Capsule.
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Kanagaraj K, Wang R, Zhao MK, Ballester P, Rebek J Jr, and Yu Y
- Abstract
A series of straight-chain (C7-C13) alkyl- O -methyl aldoximes (R-C(H)═NOMe) were synthesized with various functional groups at the remote ends (alkenes, halogen, -COOH, and NH
2 ). Their isomers about the C═N bond showed ∼60-40% E - Z- ratio in organic solutions. Surprisingly, their confinement in a water-soluble capsule with benzoselenodiazole walls shows high selectivity for the cis -/ Z -isomer. Their relative affinities for the chalcogen-bonded capsule at room temperature depend mainly on the guest chain length and functional groups. A chain length of 14 heavy atoms showed especially high E- to Z -isomer selectivity (>99%) and was used in separation. The E - Z isomerization occurred only in the capsular cavity at room temperature and was accelerated 10-fold by sonication. The Z -isomer selective binding, separation, and E - Z isomerization are supported by NMR, DOSY, and computational studies.- Published
- 2023
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42. Assessment of Micronuclei Frequency in the Peripheral Blood of Adult and Pediatric Patients Receiving Fractionated Total Body Irradiation.
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Kanagaraj K, Phillippi MA, Narayan P, Szolc B, Perrier JR, McLane A, Wolden SL, Barker CA, Wang Q, Amundson SA, Brenner DJ, and Turner HC
- Subjects
- Adult, Humans, Child, Micronucleus Tests methods, Cytokinesis genetics, Cytokinesis radiation effects, Lymphocytes, Whole-Body Irradiation adverse effects, Leukemia
- Abstract
The cytokinesis-block micronucleus (CBMN) assay is an established method for assessing chromosome damage in human peripheral blood lymphocytes resulting from exposure to genotoxic agents such as ionizing radiation. The objective of this study was to measure cytogenetic DNA damage and hematology parameters in vivo based on MN frequency in peripheral blood lymphocytes (PBLs) from adult and pediatric leukemia patients undergoing hematopoietic stem cell transplantation preceded by total body irradiation (TBI) as part of the conditioning regimen. CBMN assay cultures were prepared from fresh blood samples collected before and at 4 and 24 h after the start of TBI, corresponding to doses of 1.25 Gy and 3.75 Gy, respectively. For both age groups, there was a significant increase in MN yields with increasing dose (p < 0.05) and dose-dependent decrease in the nuclear division index (NDI; p < 0.0001). In the pre-radiotherapy samples, there was a significantly higher NDI measured in the pediatric cohort compared to the adult due to an increase in the percentage of tri- and quadri-nucleated cells scored. Complete blood counts with differential recorded before and after TBI at the 24-h time point showed a rapid increase in neutrophil (p = 0.0001) and decrease in lymphocyte (p = 0.0006) counts, resulting in a highly elevated neutrophil-to-lymphocyte ratio (NLR) of 14.45 ± 1.85 after 3.75 Gy TBI (pre-exposure = 4.62 ± 0.49), indicating a strong systemic inflammatory response. Correlation of the hematological cell subset counts with cytogenetic damage, indicated that only the lymphocyte subset survival fraction (after TBI compared with before TBI) showed a negative correlation with increasing MN frequency from 0 to 1.25 Gy (r = -0.931; p = 0.007). Further, the data presented here indicate that the combination of CBMN assay endpoints (MN frequency and NDI values) and hematology parameters could be used to assess cytogenetic damage and early hematopoietic injury in the peripheral blood of leukemia patients, 24 h after TBI exposure., (© 2023 The Author(s). Published by S. Karger AG, Basel.)
- Published
- 2023
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43. Role of Rim Functions in Recognition and Selectivity of Small-Molecule Guests in Water-Soluble Cavitand Hosts.
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Tang MM, Kanagaraj K, Rebek J Jr, and Yu Y
- Subjects
- Alcohols, Ethers, Cyclic, Iodides, Models, Molecular, Resorcinols, Urea, Cycloparaffins, Water chemistry
- Abstract
Groups on the upper rim of cavitands can play major roles in the recognition of small molecules. Water-soluble deep cavitands 1, 2 or 3 bearing the walls upper rim of imidazole, urea, and methyl urea, respectively, were synthesized and characterized as hosts of small-molecule guests. The vase forms of 1 or 2 are stabilized through H-bonding to solvent water molecules between adjacent walls. Various small alkyl organic molecules - alcohols, halides, cycloalkane derivatives and heterocycles - are efficiently bound in 1. For n-alcohols (C5 to C12), the -OH end is fixed at the upper rim and the alkyl parts are in the hydrophobic cavity. The longer alcohol guests (C7-C12) show coiling. Cycloalkane guests rotate rapidly on all 3 axes within the host cavity, while heterocycles show orientations placing their heteroatoms near the cavitand rim. Competition studies between alkyl chlorides, bromides and iodides showed preference for binding of iodides in 1. Competition between cavitands for hexyl halide guests halide showed the order 2>1>3., (© 2022 Wiley-VCH GmbH.)
- Published
- 2022
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44. The More the Slower: Self-Inhibition in Supramolecular Chirality Induction, Memory, Erasure, and Reversion.
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Ji J, Wei X, Wu W, Fan C, Zhou D, Kanagaraj K, Cheng G, Luo K, Meng XG, and Yang C
- Abstract
Self-inhibition has been observed widely in hierarchical biochemical processes but has yet to be demonstrated in pure molecular physical rather than chemical or biological processes. Herein, we report an unprecedented example of self-inhibition during the supramolecular chirality induction, memory, erasure, and inversion processes of pillar[5]arene (P[5]) derivatives. The addition of chiral alanine ethyl ester to bulky substituent-modified P[5]s led to time-dependent chirality induction due to the shift in the equilibrium of the S
P and RP conformers P[5]. Intriguingly, more chiral inducers led to more intensive final chiroptical properties but lower chiral induction rates. Thus, the chiral inducer plays the role of both activator and inhibitor. Such self-inhibition essentially arises from kinetics manipulation of three tandem equilibria. Moreover, the chiroptical properties could be memorized by replacing the chiral inducer with an achiral competitive binder, and the chiroptical signal could be erased and reversed by an antipodal chiral inducer, which also showed the self-inhibition property.- Published
- 2022
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45. Comparative analysis of physical doses and biomarker changes in subjects underwent Computed Tomography, Positron Emission Tomography-Computed Tomography, and interventional procedures.
- Author
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Visweswaran S, Raavi V, Abdul Syed Basheerudeen S, Kanagaraj K, Prasad A, Selvan Gnana Sekaran T, Pattan S, Shanmugam P, Ozimuthu A, Joseph S, and Perumal V
- Subjects
- Adult, Aged, Aged, 80 and over, Biomarkers metabolism, Case-Control Studies, Dose-Response Relationship, Radiation, Female, Humans, Male, Middle Aged, Young Adult, Positron Emission Tomography Computed Tomography adverse effects
- Abstract
Even though the medical uses of ionizing radiation are well-acknowledged globally as vital tools for the improvement of human health, they also symbolize the major man-made sources of radiation exposure to the population. Estimation of absorbed dose and biological changes after radiation-based imaging might help to better understand the effects of low dose radiation. Because of this, we measured the Entrance Surface Dose (ESD) at different anatomical locations using Lithium tetraborate doped with manganese (Li
2 B4 O7 : Mn), recorded Dose Length Product (DLP) and Dose Area Product (DAP), analyzed Chromosomal Aberration (CA), Micronucleus (MN), gamma-H2AX (γ-H2AX), and p53ser15 proteins in the blood lymphocytes of patients (n = 267) underwent Computed Tomography (CT), Positron Emission Tomography-CT (PET/CT), and interventional procedures and healthy volunteers (n = 19). The DLP and effective doses obtained from PET/CT procedures were significantly higher (p < 0.05) when compared to CT. Fluoroscopic time and DAP were significantly higher (p < 0.05) in therapeutic compared to diagnostic interventional procedures. All the anatomical locations registered a significant amount of ESD, the ESD obtained from CT and interventional procedures were significantly (p < 0.05) higher when compared to PET/CT. Fluoroscopic time did not correlate with the ESD (eye, head, thyroid, and shoulder; R2 = 0.03). CA frequency after PET/CT was significantly higher (p < 0.001) when compared to CT and interventional procedures. MN frequency was significantly higher in 24-hs (p < 0.001) post-interventional procedure compared to 2-hs. The mean ± SD of mean fluorescence intensity of γ-H2AX and p53ser15 obtained from all subjects underwent PET/CT and interventional procedures did not show a significant difference (p > 0.05) between pre- and post-procedure. However, the relative fluorescence intensity of γ-H2AX and p53ser15 was >1 in 58.5 % and 65.8 % of subjects respectively. Large inter-individual variation and lack of correlation between physical dose and biomarkers suggest the need for robust dosimetry with a large sample size to understand the health effects of low dose radiation., (Copyright © 2021 Elsevier B.V. All rights reserved.)- Published
- 2021
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46. Hydrophobic and Metal-Coordinated Confinement Effects Trigger Recognition and Selectivity.
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Zhang HB, Kanagaraj K, Rebek J Jr, and Yu Y
- Subjects
- Hydrophobic and Hydrophilic Interactions, Magnetic Resonance Spectroscopy, Models, Molecular, Molecular Conformation, Water
- Abstract
We report the synthesis and characterization of a new water-soluble cavitand 1 . The container features 2-aminobenzimidazole panels at the "rim" and pyridiniums at the "feet". In the solid state, a single-crystal X-ray structure of the organic-soluble precursor 2 showed a stable vase form. The structure is stabilized by hydrogen-bonded bridges between adjacent panels through solvents and ions. In aqueous solution, binding of hydrophobic and amphiphilic guest molecules to 1 was investigated using
1 H NMR. Alkanes, alcohols, acids, diols, and diacids formed 1:1 host-guest complexes, and the guest conformations were deduced from characteristic chemical shift changes. In the presence of [Pd(ethylenediamine)(H2 O)2 ·2NO3 ], cavitand 1 formed a complex incorporating two metals. The metal-coordinated cavitand also bound hydrophobic linear alkanes and difluorobenzene isomers in aqueous medium. The metallo-cavitand showed shape and size selectivity and was used to separate o -difluorobenzene from its isomers as observed by19 F NMR spectroscopy. The primary amino function of the cavitands offers possibilities for further elaboration to covalent clusters of these container compounds.- Published
- 2021
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47. The relative biological effectiveness of high-energy clinical 3 and 6 MV X-rays for micronucleus induction in human lymphocytes.
- Author
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Tamizh Selvan G, Kanagaraj K, and Venkatachalam P
- Subjects
- Humans, X-Rays, Dose-Response Relationship, Radiation, Adult, Male, Lymphocytes radiation effects, Relative Biological Effectiveness, Micronucleus Tests
- Abstract
Purpose: In the modern era of radiotherapy, use of conventional radiation modalities (based on γ-rays) is being replaced by high-energy linear accelerator-based X-rays. As a result of mishandling of equipment or mechanical errors, health workers can be exposed to these high-energy X-rays. Especially in the absence of personnel monitoring devices, biodosimetry with a lower energy X-ray calibration curve may not provide an acceptable dose estimate. Moreover, the relative biological effectiveness (RBE) value assigned for X-rays is the same (ONE) regardless of beam energy (V), employed in diagnosis, interventional medicine, and radiotherapy. Therefore, the purpose of the study is to examine the induced biological effects, measured through micronucleus (MN) formation, of X-rays of different energies (3 and 6 MV X-rays), and to investigate the RBE relative to 225 kVp X-rays., Materials and Methods: Peripheral blood lymphocytes (PBLs) from healthy donors ( n = 6), were irradiated with 225 kVp, 3 MV, and 6 MV energy X-rays and induced biological damage was quantified as MN formation using the cytokinesis blocked MN (CBMN) assay., Results: The MN per cell in the X-irradiated samples for the three different X-ray energies showed a significant ( p <.0001) dose-dependent increase, when compared to unexposed samples. Aberration frequencies obtained at the same dose for the three different energies showed significant ( p <.05) difference for the MN per cell among the energy levels; however, the in vitro dose-response curve parameters (slope, intercept, and coefficient) did not show any significant differences. The estimated dose in the blinded sample was within the 95% confidence intervals of each of the calibration curves. However, overall, the 6 MV dose-response curve coefficients yielded the closest dose estimate to that of the true dose. The calculated RBE values at 5% induced MN for 3 and 6 MV LINAC X-rays were 2.0 ± 0.04 and 0.70 ± 0.01, respectively, and the average RBE for the complete dose-response curves were 1.13 ± 0.04 and 0.80 ± 0.02 relative to 225 kVp X-rays as standard radiation., Conclusion: The established dose-response curves obtained for PBL exposed to different energy levels of X-rays of 225 kVp, 3 MV, and 6 MV are ready to use for biological dosimetry purposes. The calculated RBE values for the higher energies of X-rays relative to 225 kVp X-rays in this study suggest that RBE of X-rays may not be equal to one, with the true value dependent on the beam energy, the dose and dose rate, and the endpoint investigated.
- Published
- 2021
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48. pH-Controlled Chirality Inversion in Enantiodifferentiating Photocyclodimerization of 2-Antharacenecarboxylic Acid Mediated by γ-Cyclodextrin Derivatives.
- Author
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Kanagaraj K, Liang W, Rao M, Yao J, Wu W, Cheng G, Ji J, Wei X, Peng C, and Yang C
- Abstract
Several γ-cyclodextrin (γ-CDx) derivatives were used as chiral hosts for the photocyclodimerization of 2-anthracenecarboxylic acid (AC). The effect of pH on photoreactivity and stereochemical outcome of photoproducts was investigated. Upon changing the solution pH, the stereochemical outcome of HH cyclodimer 3 was inverted from 25.2% to -64.4% and 41.2% to -76.2%, respectively, in the photocyclodimerization of AC mediated by bis -quinoline-modified γ-CDx 7 and its N -methylated derivative 8 .
- Published
- 2020
- Full Text
- View/download PDF
49. Redox-Triggered Chirality Switching and Guest-Capture/Release with a Pillar[6]arene-Based Molecular Universal Joint.
- Author
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Xiao C, Wu W, Liang W, Zhou D, Kanagaraj K, Cheng G, Su D, Zhong Z, Chruma JJ, and Yang C
- Abstract
A chiral electrochemically responsive molecular universal joint (EMUJ) was synthesized by fusing a macrocyclic pillar[6]arene (P[6]) to a ferrocene-based side ring. A single crystal of an enantiopure EMUJ was successfully obtained, which allowed, for the first time, the definitive correlation between the absolute configuration and the circular dichroism spectrum of a P[6] derivative to be determined. The self-inclusion and self-exclusion conformational change of the EMUJ led to a chiroptical inversion of the P[6] moiety, which could be manipulated by both solvents and changes in temperature. The EMUJ also displayed a unique redox-triggered reversible in/out conformational switching, corresponding to an occupation/voidance switching of the P[6] cavity, respectively. This phenomenon is an unprecedented electrochemical manipulation of the capture and release of guest molecules by supramolecular hosts., (© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)
- Published
- 2020
- Full Text
- View/download PDF
50. A Quinoline-Appended Cyclodextrin Derivative as a Highly Selective Receptor and Colorimetric Probe for Nucleotides.
- Author
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Kanagaraj K, Xiao C, Rao M, Fan C, Borovkov V, Cheng G, Zhou D, Zhong Z, Su D, Yu X, Yao J, Hao T, Wu W, Chruma JJ, and Yang C
- Abstract
The design and development of specific recognition and sensing systems for biologically important anionic species has received growing attention in recent years, as they play significant roles in biology, pharmacy, and environmental sciences. Herein, a new supramolecular sensing probe L1 was developed for highly selective differentiation of nucleotides. L1 displayed extremely marked absorption and emission differentiation upon binding with nucleotide homologs of AMP, ADP, and ATP, due to the divergent spatial orientations of guests upon binding, which allowed for a naked-eye colorimetric differentiation for nucleotides. A differentiating mechanism was unambiguously rationalized by using various spectroscopic studies and theoretical calculations. Furthermore, we successfully demonstrated that L1 can be applied to the real-time monitoring of the enzyme-catalyzed phosphorylation/dephosphorylation processes and thus demonstrated an unprecedented visualizable strategy for selectively differentiating the structurally similar nucleotides and real-time monitoring of biological processes via fluorescent and colorimetric changes., Competing Interests: Declaration of Interests The authors declare no competing interests., (Copyright © 2020 The Authors. Published by Elsevier Inc. All rights reserved.)
- Published
- 2020
- Full Text
- View/download PDF
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