78 results on '"Satya Narayan Sahu"'
Search Results
2. A computational therapeutic evaluation of 5-Fluorouracil and different phytochemicals in view of dynamic behavior with native and mutated protein related to colon cancer
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Sneha Shriparna Satpathy, Satya Narayan Sahu, and Chandana Mohanty
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- 2023
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3. Binding performance of Boerhavia Diffusa plant extracts targeting mutant PLCE1 gene in type 3 nephrotic syndrome: A molecular docking approach
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Satya Narayan Sahu, Biswajit Mishra, Rojalin Sahu, and Chandana Mohanty
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- 2023
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4. Bioinformatics Study for Determination of the Binding Efficacy of Heme-Based Protein
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Satya Narayan Sahu, Biswajit Mishra, and Subrat Kumar Pattanayak
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- 2022
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5. Synthesis of First Coumarin Fluorescent Dye for Actin Visualization
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Subrata Kumar Padhan, Janmejaya Bag, Munmun Panda, Bijesh Kumar Biswal, Harekrushna Sahoo, Monalisa Mishra, and Satya Narayan Sahu
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Pharmacology ,Drosophila melanogaster ,Coumarins ,Organic Chemistry ,Biomedical Engineering ,Pharmaceutical Science ,Animals ,Bioengineering ,Actins ,Biotechnology ,Fluorescent Dyes ,Cell Line - Abstract
Selective fluorescence imaging of actin protein hugely depends on the fluorescently labeled actin-binding domain (ABD). Thus, it is always a challenging task to image the actin protein (
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- 2022
6. Theoretical Study on Graphene Oxide as a Cancer Drug Carrier
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Saraswati Soren, Rojalin Sahu, Satya Narayan Sahu, and Shanta Chakrabarty
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Materials science ,Graphene ,Cancer drugs ,Oxide ,Cancer ,Nanotechnology ,medicine.disease ,law.invention ,chemistry.chemical_compound ,chemistry ,law ,Drug delivery ,medicine ,Drug carrier - Published
- 2020
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7. Role of Pore Volume and Surface Area of Cu‐BTC and MIL‐100 (Fe) Metal‐Organic Frameworks on the Loading of Rifampicin: Collective Experimental and Docking Study
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Satya Narayan Sahu, Prasanna Kumar Panda, Subrat Kumar Pattanayak, Jagannath Panda, Rojalin Sahu, Bankim Chandra Tripathy, and Rasmirekha Pati
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Materials science ,Chemical engineering ,Docking (molecular) ,Metal-organic framework ,General Chemistry - Published
- 2020
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8. Theoretical Investigation of Metal–Organic Frameworks and Their Derived Materials for the Adsorption of Pharmaceutical and Personal Care Products
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Tejaswini Sahoo, Subrat Kumar Pattanayak, Satya Narayan Sahu, Rojalin Sahu, Jagannath Panda, and Biswajit Mishra
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Adsorption ,Personal care ,Chemistry ,Nanotechnology ,Metal-organic framework - Published
- 2020
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9. Through bond energy transfer (TBET)-operated fluoride ion sensing via spirolactam ring opening of a coumarin–fluorescein bichromophoric dyad
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Subrata Kumar Padhan, Satya Narayan Sahu, Sabyashachi Mishra, Vipin Kumar Mishra, and Narayan Murmu
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chemistry.chemical_compound ,Fluorophore ,chemistry ,General Chemical Engineering ,Moiety ,General Chemistry ,Fluorescein ,Bond energy ,Ring (chemistry) ,Photochemistry ,Fluoride ,Fluorescence ,Acceptor - Abstract
The detection of fluoride ions in a competitive environment often poses several challenges. In this work, we have designed and synthesized a coumarin functionalized fluorescein dyad (R3) which represents an ideal through bond energy transfer (TBET) fluorophore with the coumarin unit as donor and fluorescein unit as acceptor. The bichromophoric dyad demonstrates the detection of fluoride ions in the parts per billion (ppb) concentration level (22.8 ppb) with high selectivity via a TBET emission signal at 548 nm with a diagnostic bright yellow colour fluorescence output. Based on UV-visible, fluorescence, 1H NMR and DFT studies, it is shown that the fluoride ion induces the opening of the spirolactam ring of the fluorescein moiety and provides a π-conjugation link between the donor and acceptor units enabling a TBET phenomenon with a larger pseudo-Stokes shift of 172 nm. To the best of our knowledge, this is the first report where the fluoride ion is detected via a TBET signal between the coumarin and fluorescein units in a bichromophoric dyad.
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- 2020
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10. Fluorometric sensing of hydroxylamine in an aqueous medium utilizing a diphenyl imidazole-based probe
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Narayan Murmu, Punam Rana, Satya Narayan Sahu, Bhawani Prasad Bag, and Lipsarani Panda
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Chemistry ,Organic Chemistry ,Hydrazine ,technology, industry, and agriculture ,Biochemistry ,Fluorescence spectroscopy ,Benzaldehyde ,chemistry.chemical_compound ,Hydroxylamine ,Proton NMR ,Imidazole ,Reactivity (chemistry) ,Physical and Theoretical Chemistry ,Hydrate ,Nuclear chemistry - Abstract
The detection of hydroxylamine in an aqueous medium is challenging due to its very similar chemical reactivity to its nearest competitors such as hydrazine hydrate and primary amines. Moreover, the detection of hydroxylamine at neutral pH adds further complexity to the sensing phenomenon due to its poor reactivity in a neutral aqueous medium. In this work, we have presented a diphenyl imidazole benzaldehyde (DIB) probe which demonstrates the detection of hydroxylamine (HA) in micromolar concentrations with high selectivity in 5% DMSO phosphate buffer solution at pH 7.4 via a fluorescence "turn-on" signal. The interaction of hydroxylamine with the probe has been comprehensively studied by using fluorescence spectroscopy, proton NMR, FTIR, ESI-mass spectrometry and DLS measurements. The experimental results were further corroborated with the DFT studies. These results could pave the way toward the development of molecular indicators for hydroxylamine in chemical and biological platforms.
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- 2020
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11. List of contributors
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Kirti Agrawal, Mohammad Ali, Saniya Arfin, Shailendra Asthana, Garima Chand, Gunjan Gaur, Ashok Kumar Ghosh, Vikas Gupta, Sitaram Harihar, Penny Joshi, Jagat R. Kanwar, Punit Kaur, Kavindra Kumar Kesari, Arun Sidram Kharat, Abhijeet Kumar, Arun Kumar, Ashok Kumar, Dhruv Kumar, Amrita Kumari, Thuc Ly, Rahul Kumar Maurya, Manish K. Mishra, Shambhavi Mishra, Sneha Mohanty, Samyukta Narayanan, Ritu Pandey, Sparsh Phutela, Satish S. Poojary, Surendra Kumar Prajapat, Ambarish Priyadarshan, Mahesh Rachamalla, Ramesh C. Rai, Vivek Raj, Sonakshi Rastogi, Brijesh Rathi, Srijit Ray, Shubhadeep Roychoudhury, Satya Narayan Sahu, Anirudh Santoshkumar, Prashant Shukla, Anil Kumar Singh, Mukul Kumar Singh, Pushpendra Singh, Tejveer Singh, Abhinav Srivastava, Gaurava Srivastava, Sufi Mary Thomas, Alok Shiomurti Tripathi, Garima Tripathi, Manish Kumar Tripathi, Prabhanshu Tripathi, Santosh K. Upadhyay, Mudit Vaid, and Mohammad Yasir
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- 2022
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12. Contributors
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Laxmi R. Adil, Rashmi Ahire, Anshebo G. Alemu, Anshebo T. Alemu, Pallab K. Bairagi, Shahani Begum, Kamalakanta Behera, Dhiraj Bhatia, S.P. Bhatnagar, Satabdi Bhattacharjee, Debasis Bisoi, Prakash Bobde, Ch. G. Chandaluri, Moirangthem A. Chanu, Naveen K. Dandu, Anirban Das, Jayashankar Das, Hemlata Das, Dwiti K. Das, Sushma Dave, Vishakha Dave, Ayushman Gadnayak, Sayantani Garai, Goutam Ghosh, Sreejita Ghosh, Sougata Ghosh, Swati Goswami, Parameswar K. Iyer, Yogesh Jadhav, Sandesh Jadkar, Fahmida Khan, Prateek Khare, Mst N. Khatun, Sindhu Kilaru, Byoung-Suhk Kim, Kisan Kodam, Spoorthy Kolluri, Vijay Kumar, Dibyajit Lahiri, Lidong Li, N. Mahender Reddy, Indrani Medhi, Rasbindu Mehta, A.M. Vinu Mohan, Padmaja Mohanty, Jatindra N. Mohanty, Neeta Mohanty, Maheswata Moharana, Subrata Mondal, Vinod Morya, Dipro Mukherjee, Moupriya Nag, Vinod Nandre, Rahul Narasimhan, Ananya Nayak, Silpa P A, Sukdeb Pal, Deepak Panchal, Soumya S. Panda, Saroj Prasad Panda, Swagatika Panda, Medha Pandya, Sabyasachi Parida, Retwik Parui, Ravi Patel (Kumar), Snigdha Pattanaik, Subrat Kumar Pattanayak, Om Prakash, Anulipsa Priyadarshini, Sivaprakasam Radhakrishnan, Varun Rai, Pravat Rajbanshi, Anjali Rajwar, Kola Ramesh, Gubbala V. Ramesh, Satya Ranjan Misra, Rakesh Rawal, Rina Rani Ray, Swayamprabha Sahoo, Maheswata Sahoo, Tejaswini Sahoo, Satya Narayan Sahu, Jnana R. Sahu, Rojalin Sahu, Priyanka Samal, Debarchita Sarangi, D. Saritha, Deepak Senapati, Abhishek Sharma, Indu Sharma, Ram S. Singh, Vishal Singh (K.), Purusottam Tripathy, Suresh Waghmode, Shu Wang, and Ramesh B. Yathirajula
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- 2022
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13. A comprehensive study toward the treatment of inflammatory diseases through nanoparticles
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Maheswata Moharana, Satya Narayan Sahu, Subrat Kumar Pattanayak, and Fahmida Khan
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- 2022
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14. Combined targeting autophagy and metabolism for cancer therapy
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Garima Tripathi, Shambhavi Mishra, Ambarish Priyadarshan, Satya Narayan Sahu, Anil Kumar Singh, and Abhijeet Kumar
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- 2022
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15. Drug resistance reversal potential of multifunctional thieno[3,2-c]pyran via potentiation of antibiotics in MDR P. aeruginosa
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Ramendra Pratap, Sanghamitra Pati, Reeta Rai, Gaurav Raj Dwivedi, Rajni Kant, Khusbu Singh, Dharmendra Kumar Yadav, Satya Narayan Sahu, and Mahendra P. Darokar
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Time Factors ,Tetracycline ,medicine.drug_class ,Antibiotics ,Drug resistance reversal ,Microbial Sensitivity Tests ,Drug resistance ,RM1-950 ,medicine.disease_cause ,Structure-Activity Relationship ,chemistry.chemical_compound ,Drug Resistance, Multiple, Bacterial ,medicine ,Efflux pump inhibition ,Pharmacology ,Chemistry ,Pseudomonas aeruginosa ,Biofilm ,Drug Synergism ,General Medicine ,biochemical phenomena, metabolism, and nutrition ,2-c]pyran-2-ones ,Molecular biology ,Anti-Bacterial Agents ,Molecular Docking Simulation ,Multiple drug resistance ,Pyrones ,Biofilms ,Biofilm synthesis ,Drug Therapy, Combination ,Thieno[3 ,Efflux ,Therapeutics. Pharmacology ,Ethidium bromide ,Synthetic compounds ,medicine.drug - Abstract
We explored the antibacterial potential (alone and combination) against multidrug resistant (MDR) Pseudomonas aeruginosa isolates KG-P2 using synthesized thieno[3,2-c]pyran-2-ones in combination with different antibiotics. Out of 14 compounds, two compounds (3g and 3l) abridged the MIC of tetracycline (TET) by 16 folds. Compounds was killing the KG-P2 cells, in time dependent manner, lengthened post-antibiotic effect (PAE) of TET and found decreased the mutant prevention concentration (MPC) of TET. In ethidium bromide efflux experiment, two compounds repressed the drug transporter (efflux pumps) which is further supported by molecular docking of these compounds with efflux complex MexAB-OprM. In another study, these compounds inhibited the synthesis of biofilm.
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- 2021
16. Boerhavia diffusa plant extract can be a new potent therapeutics against mutant nephrin protein responsible for type1 nephrotic syndrome: Insight into hydrate-ligand docking interactions and molecular dynamics simulation study
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Satya Narayan Sahu, Sneha Shriparna Satpathy, Saswati Pattnaik, Chandana Mohanty, and Subrat Kumar Pattanayak
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Inorganic Chemistry ,Organic Chemistry ,Drug Discovery ,Electrochemistry ,Physical and Theoretical Chemistry - Published
- 2022
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17. Current Strategies and Future Perspectives of Autoimmune Disorder
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Rojalin Sahu, Biswajit Mishra, Subrat Kumar Pattanayak, and Satya Narayan Sahu
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Psychotherapist ,Current (fluid) ,Psychology - Published
- 2021
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18. Nanomaterial catalyzed green synthesis of tetrazoles and its derivatives: a review on recent advancements
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Satya Narayan Sahu, Suman Swami, and Rahul Shrivastava
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General Chemical Engineering ,General Chemistry - Abstract
Tetrazoles are indispensable nitrogen containing heterocyclic scaffolds that offer a broad spectrum of applications in various domains such as medicinal chemistry, high energy material science, biochemistry, pharmacology etc.
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- 2021
19. Impact of mutation on podocin protein involved in type 2 nephrotic syndrome: Insights into docking and molecular dynamics simulation study
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Subrat Kumar Pattanayak, Maheswata Moharana, Satya Narayan Sahu, and Rojalin Sahu
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Genetics ,biology ,Mutant ,Wild type ,Single-nucleotide polymorphism ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,medicine.disease ,01 natural sciences ,Atomic and Molecular Physics, and Optics ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,Docking (molecular) ,Mutant protein ,Materials Chemistry ,Podocin ,biology.protein ,medicine ,Physical and Theoretical Chemistry ,0210 nano-technology ,Gene ,Nephrotic syndrome ,Spectroscopy - Abstract
Podocin is expressed in the nephrotic tissues and its mutation inside the gene have been associated to familial idiopathic type 2 nephrotic syndrome. Here we have analyzed the most affected mutation position R138Q of human podocin protein which occurs at SPFH_PODOCIN domain of the titled protein. Molecular docking study has been carried out through AutoDock vina to study the molecular interaction between mutant and wild type models of the studied protein with biological active compounds of Boerhaavia diffusa plant extracts. Both boeravinone B and F are having higher binding energy as compared to others in mutant protein. Furthermore, molecular dynamics simulation study was carried out of with a trajectory of 50 ns for both the wild type and mutant model. This study reveals that, flexibility nature decreases in the mutant protein. The recognition of disease related non-synonymous single nucleotide polymorphisms and analysis of their effects by computational approaches has potential to provided knowledge for the diagnosis, and treatment of diseases like nephrotic syndrome.
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- 2019
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20. Adsorptive behavior of zeolitic imidazolate framework-8 towards anionic dye in aqueous media: Combined experimental and molecular docking study
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Jagannath Panda, Satya Narayan Sahu, Jitendra Kumar Sahoo, Mahalaxmi Samal, Rojalin Sahu, Prasanna Kumar Panda, and Subrat Kumar Pattanayak
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Thermogravimetric analysis ,Materials science ,Enthalpy ,Ionic bonding ,Sorption ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,Atomic and Molecular Physics, and Optics ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,Adsorption ,Chemical engineering ,Materials Chemistry ,Metal-organic framework ,Freundlich equation ,Physical and Theoretical Chemistry ,0210 nano-technology ,Spectroscopy ,Zeolitic imidazolate framework - Abstract
In the present work, zeolitic imidazole framework-8 (ZIF-8), a special class of metal organic framework (MOF) was prepared under a cleaner and greener synthesis route. ZIF-8 was characterized by using powder X-ray diffraction (PXRD), fourier transform infrared (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermo gravimetric analysis (TGA) and UV–Visible diffused reflectance spectroscopy (UV-DRS). The material was used to remove reactive blue-4 (RB4) from aqueous media via physical adsorption process. The adsorption kinetics, isotherms, effects of dose and ionic strengths were studied. The results of the above studies concluded that pseudo-second-order kinetics model and Freundlich isotherm fitted well with our experimental adsorption data. Thermodynamics parameters of adsorption like enthalpy, entropy and free energy were evaluated. The sorption process has taken place spontaneously and it was exothermic in nature. The adsorption of RB4 was discussed focusing on electrostatic attractions, pore-filling effects, π–π interactions and hydrogen bonding interactions. The results from this study indicated the ability of ZIF-8 to adsorb dye efficiently and its potential applications in wastewater treatment.
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- 2019
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21. Sequential displacement strategy for selective and highly sensitive detection of Zn2+, Hg2+ and S2− ions: An approach toward a molecular keypad lock
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Satya Narayan Sahu, Narayan Murmu, Punam Rana, Subrata Kumar Padhan, and Jitendra Palei
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Detection limit ,Chemistry ,chemistry.chemical_element ,02 engineering and technology ,Zinc ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Photochemistry ,Ligand (biochemistry) ,01 natural sciences ,Fluorescence ,Atomic and Molecular Physics, and Optics ,Fluorescence spectroscopy ,0104 chemical sciences ,Analytical Chemistry ,Ion ,Keypad ,0210 nano-technology ,Instrumentation ,Spectroscopy ,Stoichiometry - Abstract
A thiocarbonohydrazone locked salicylidene based macrocycle ligand L has been synthesized and its ion sensing properties were examined by UV–visible and fluorescence spectroscopy. The macrocycle serves as a highly selective colorimetric sensor for Hg2+ ions while it acts as an excellent fluorescent sensor for Zn2+ ions by exhibiting a green fluorescence at 498 nm even in the presence of interfering ions. A detailed analysis of binding characteristics such as complex stoichiometry, association constant and detection limits of L toward Hg2+ and Zn2+ ions were evaluated by UV–visible and fluorescence experiments which revealed a stronger binding affinity and higher detection limit of L toward the mercury ions. Further, the sequential displacement strategy for the chromofluorogenic detection of Zn2+, Hg2+ and S2− ions by ligand L, has been studied comprehensively. Finally, the ion-responsive fluorescence output signal of L were employed to design a molecular keypad lock which could be accessible by two users having two different set of chemical passwords (inputs) through distinguishable optical trajectories.
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- 2019
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22. Fluorescence-based ion sensing in lipid membranes: a simple method of sensing in aqueous medium with enhanced efficiency
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Subrata Kumar Padhan, Hirak Chakraborty, Satya Narayan Sahu, Geetanjali Meher, Leena Sushmita Barla, and Gourab Prasad Pattnaik
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Aqueous solution ,Chemistry ,General Chemical Engineering ,Inorganic chemistry ,technology, industry, and agriculture ,02 engineering and technology ,General Chemistry ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Fluorescence ,0104 chemical sciences ,Ion ,chemistry.chemical_compound ,Membrane ,Molecule ,lipids (amino acids, peptides, and proteins) ,Surface charge ,Solubility ,0210 nano-technology ,POPC - Abstract
Detection of ions in chemical, biological and environmental samples has gathered tremendous momentum considering the beneficial as well as adverse effects of the ions. Generally, most of the ions are beneficial up to an optimum concentration, beyond which they are toxic to human health. However, most of the fluorescence-based ion sensors are only active in non-aqueous solution because of the low solubility of the sensor molecules in aqueous buffer medium. In the present work, we have demonstrated that encapsulation of an aqueous insoluble thiocarbonohydrazone-locked salicylidene-based macrocyclic ligand in 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) membranes allows the selective detection of Zn2+ in aqueous medium with approximately 3-fold enhanced efficiency compared to its efficiency in DMSO medium. We have further modulated the charge of the membrane surface by adding various concentrations of a negatively charged lipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol (POPG), and showed that negative surface charge further enhances the Zn2+ sensing efficiency up to approximately 6-fold. This strategy opens up a new avenue of utilizing organic sensors to detect vital ions in aqueous medium.
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- 2019
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23. Ultrasensitive detection of aqueous Cu2+ ions by a coumarin-salicylidene based AIEgen
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Subrat Mahapatra, Subrata Kumar Padhan, Narayan Murmu, Satya Narayan Sahu, and Manas Kumar Dalai
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inorganic chemicals ,Detection limit ,Aqueous solution ,Chemistry ,Metal ions in aqueous solution ,Analytical chemistry ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Fluorescence ,0104 chemical sciences ,Ion ,Tap water ,Phase (matter) ,Materials Chemistry ,General Materials Science ,Particle size ,0210 nano-technology - Abstract
This work reports the aggregation induced emission (AIE) behaviour of a coumarin-salicylidene Schiff base probe 3 which shows bright yellow AIE fluorescence in DMSO–water medium (fw 80%) buffered by 10 mM HEPES at pH 7.4. The aggregated probe (AIEgen-3) selectively discriminates Cu2+ ions over a series of other interfering metal ions via a fluorescence “on–off” strategy through a CHEQ process. DLS measurements revealed an average particle size of 372 nm for AIEgen-3 at an 80% water fraction, which dramatically increases to 656 nm in the presence of Cu2+ ions, indicating the formation of more structured aggregates, which was further supported by TEM and ESI-MS experiments. A comprehensive analysis of the binding characteristics and interference studies of AIEgen-3 with various metal ions have been carried out by fluorescence and UV-visible experiments. AIEgen-3 shows a fluorescence detection limit (LOD) of 24 nM (∼1.5 ppb) for Cu2+ ions, which is considerably far below the values of detection limits recently reported for other Cu2+ ion sensors in aqueous medium. Further, the analytical applications of AIEgen-3 have been demonstrated by the estimation of Cu2+ ions in tap water and pharmaceutical samples both in solution and the solid phase, which shows the potentiality of the probe for on-site detection of Cu2+ ions in chemical, environmental and biological samples.
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- 2019
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24. Computational study to evaluate the potency of phytochemicals in
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Satya Narayan, Sahu, Sneha Shriparna, Satpathy, Chandana, Mohanty, and Subrat Kumar, Pattanayak
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Molecular Docking Simulation ,Plant Extracts ,Cyclin-Dependent Kinase 2 ,Phytochemicals ,Point Mutation ,Mutant Proteins ,Nyctaginaceae - Abstract
A protein's function is closely related to its structural properties. Mutations can affect the functionality of a protein. Different cancer tissues have found disordered expression of the cyclin-dependent kinase 2-associated Protein 1 (CDK2AP1) gene. A protein molecule's conformational flexibility affects its interaction with phytochemicals and their biological partners at various levels.
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- 2021
25. Metal–organic frameworks for heterogeneous photocatalysis of organic dyes
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Subrat Kumar Pattanayak, Satya Narayan Sahu, Rashmi Rekha Tripathy, Jnana Ranjan Sahu, Jagannath Panda, Tejaswini Sahoo, and Rojalin Sahu
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Adsorption ,Materials science ,Photocatalysis ,Nanotechnology ,Metal-organic framework ,Environmental pollution ,Gas separation ,Heterogeneous catalysis ,Porosity ,Catalysis - Abstract
Metal–organic frameworks (MOFs) are organic–inorganic porous hybrid crystalline materials with extremely high surface areas and tunable pore sizes. These materials have attracted researchers across the globe for their structural diversity and tunable properties, as well as their well-designed topology. These classes of materials have numerous applications in a number of fields such as sensing, gas storage, gas separation, adsorption, purification and separation of liquid, imaging, drug delivery, heterogeneous catalysis, and so on. Among these wide range of applications of MOFs, many MOFs exhibit photocatalytic activity and are being used as photocatalysts to eliminate organic pollutions such as organic dyes. MOFs containing metals like Co, Ni, Zr, Ti, Al, Cr, Fe, Ce, Tb, Dy, and Zn are being reported to be very impressive as photocatalysts for organic dye degradation. We strongly believe that this chapter will encourage researchers to develop new heterogeneous catalysts based on MOFs to use solar power to degrade toxic organic dyes to mitigate environmental pollution.
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- 2021
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26. Computational study to evaluate the potency of phytochemicals in Boerhavia diffusa and the impact of point mutation on cyclin-dependent kinase 2-associated protein 1
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Subrat Kumar Pattanayak, Satya Narayan Sahu, Sneha Shriparna Satpathy, and Chandana Mohanty
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0303 health sciences ,Boerhavia ,biology ,Point mutation ,fungi ,030303 biophysics ,Cyclin-dependent kinase 2 ,food and beverages ,A protein ,Cancer ,General Medicine ,biology.organism_classification ,medicine.disease ,03 medical and health sciences ,Biochemistry ,Structural Biology ,biology.protein ,medicine ,Potency ,Molecular Biology ,Function (biology) - Abstract
A protein's function is closely related to its structural properties. Mutations can affect the functionality of a protein. Different cancer tissues have found disordered expression of the cyclin-dependent kinase 2-associated Protein 1 (CDK2AP1) gene. A protein molecule's conformational flexibility affects its interaction with phytochemicals and their biological partners at various levels. Boerhavia diffusa has been investigated most extensively for its medicinal activities like anticancer properties. It contains many bioactive compounds like Boeravinone A, Boeravinone B, Boeravinone C, Boeravinone D, Boeravinone E, Boeravinone F, Boeravinone G, Boeravinone H, Boeravinone I and Boeravinone J. We have studied to analyse the binding efficacy properties as well as essential dynamic behaviour, free energy landscape of both the native and mutant protein CDK2AP1 with bioactive compounds from Boerhavia diffusa plant extracts through computational approaches by homology modelling, docking and molecular dynamics simulation. From the molecular docking study, we found that. Boeravinone J have best binding affinity (–7.9 kcal/mol) towards the native protein of CDKAP1 compared to others phytochemicals. However, we found the binding energy for H23R and C105R (mutation point) −7.8 and −7.6 kcal/mol, respectively. A single minima energy point (from 100 ns molecular dynamics simulation study) was found in the H23R mutant with Boeravinone J complex suggested that minimum structural changes with less conformational mobility compared C105A mutant model. Communicated by Ramaswamy H. Sarma
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- 2021
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27. A molecular docking and dynamics study to screen phytochemicals that target mutant thymidine phosphorylase for colon cancer therapy
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Sneha Shriparna Satpathy, Satya Narayan Sahu, Subrat Kumar Pattanayak, and Chandana Mohanty
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Inorganic Chemistry ,Organic Chemistry ,Drug Discovery ,Electrochemistry ,Physical and Theoretical Chemistry - Published
- 2022
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28. Evaluation of binding performance of bioactive compounds against main protease and mutant model spike receptor binding domain of SARS-CoV-2: Docking, ADMET properties and molecular dynamics simulation study
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Maheswata Moharana, Anuradha Das, Satya Narayan Sahu, Subrat Kumar Pattanayak, and Fahmida Khan
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Inorganic Chemistry ,Organic Chemistry ,Drug Discovery ,Electrochemistry ,Physical and Theoretical Chemistry - Published
- 2022
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29. Interaction of Ru-4′-(2-pyridyl)- 2,2′:6′,2″-Terpyridine with Diseased HER2 Protein
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Satya Narayan Sahu, Subrat Kumar Pattanayak, Rojalin Sahu, Tejaswini Sahoo, and Biswajit Mishra
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Mutation ,Chemistry ,In silico ,Mutant ,Cancer ,medicine.disease_cause ,medicine.disease ,chemistry.chemical_compound ,Breast cancer ,medicine ,Cancer research ,Terpyridine ,skin and connective tissue diseases ,Inhibitory effect ,Cancer death - Abstract
The development of new approaches to improve screening, diagnosis, prevention and treatment of cancer is an area of intensive research. Breast cancer is one such widespread category of cancer among women which is the world’s second leading cause of cancer death universally. The objective of this study is to analyze the structural stability of different diseased mutants of HER2 protein as well as to find out the inhibitory effects of Ru-terpyridine over mutant HER2 protein. To accomplish the study insight, we have carried out using different computational tools. From our in silico study, we conclude that, after mutation at positions D769H and V777L in HER2 protein, it was proceeded to cancerous growth and it becomes destabilize, followed by the binding performance of the ruthenium terpyridine over mutant HER2 protein shows the inhibitory effect against HER2 protein-targeted breast cancer.
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- 2020
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30. Molecular dynamics simulation perception study of the binding affinity performance for main protease of SARS-CoV-2
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Subrat Kumar Pattanayak, Biswajit Mishra, Satya Narayan Sahu, and Rojalin Sahu
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Conformational change ,Stereochemistry ,medicine.medical_treatment ,Molecular Dynamics Simulation ,Hydrophobic effect ,symbols.namesake ,chemistry.chemical_compound ,Molecular dynamics ,Structural Biology ,binding affinity ,medicine ,Humans ,Molecule ,drug likeness properties ,Molecular Biology ,Coronavirus 3C Proteases ,Protease ,SARS-CoV-2 ,SARC-CoV-2 virus ,Carnosic acid ,molecular dynamics simulations ,General Medicine ,COVID-19 Drug Treatment ,Gibbs free energy ,Molecular Docking Simulation ,Gibbs free energy landscape ,chemistry ,symbols ,van der Waals force ,Research Article - Abstract
Like common cold and flu, SARC-CoV-2 virus spreads by droplets of sneezes or coughs which virus affects people of various age groups. Today, this virus is almost distributed all over the world. Since binding process plays a crucial role between host and receptor, therefore, we studied the molecules intended toward inhibition process through molecular docking and molecular dynamics simulation process. From the molecular docking study, it is noteworthy that remdesivir shows better binding affinity toward the main protease of SARS-CoV2 compared to other studied drugs. Within studied phytochemicals, carnosic acid shows better binding poses toward main protease of SARS-CoV2 among studied phytochemicals. The amino acid residues GLN110 and PHE294 were almost found in all the studied interactions of drugs and phytochemicals with main protease of SARS-CoV-2. Furthermore, the results show a larger contribution of the Van der Waals energies as compared to others like electrostatic energies suggesting that ligands at the binding pocket are predominantly stabilized by hydrophobic interactions. The conformational change during ligand binding was predicted from Gibbs free energy landscape analysis through molecular dynamics simulation. We observed that, there were two main free energy basins for both docked carnosic acid complex and for docked remdesivir complex, only one main free energy basin was found in the global free energy minimum region. Communicated by Ramaswamy H. Sarma
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- 2020
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31. Butterfly pea (Clitoria ternatea) extract as a green analytical tool for selective colorimetric detection of bisulphate (HSO
- Author
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Punam, Rana, Narayan, Murmu, Subrata Kumar, Padhan, and Satya Narayan, Sahu
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Anions ,Spectrometry, Fluorescence ,Solubility ,Metals ,Plant Extracts ,Sulfates ,Solvents ,Color ,Water ,Colorimetry ,Green Chemistry Technology ,Spectrophotometry, Ultraviolet ,Clitoria - Abstract
The blue color of butterfly pea (Clitoria ternatea) was extracted by Milli-Q water and evaluated for selective detection of bisulphate (HSO
- Published
- 2020
32. Binding performance of phytochemicals with mutant threonine-protein kinase Chk2 protein: An in silico study
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Satya Narayan Sahu, Rupayana Panda, Fahmida Khan, and Subrat Kumar Pattanayak
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Biochemistry ,Chemistry ,In silico ,Mutant ,Threonine ,Checkpoint Kinase 2 - Published
- 2020
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33. Contributors
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Geetika Aggarwal, Alaknanda Ashok, Maanvi Bhatnagar, Richard Binns, Xuewu Dai, B. Sri Sai Deepthi, Pradeep Kumar Dewangan, Ankur Dumka, Bharat Gupta, Gauri Shanker Gupta, Dharm Singh Jat, Vijayalakshmi Kakulapati, Faruk Kazi, Fahmida Khan, Sudhansu Kumar Mishra, Sweta Kumari, Anton S. Limbo, Sheri Mahender Reddy, Namrata Misra, Dusmanta Kuamar Mohanta, Maheswata Moharana, Subrat Kumar Pattanayak, Sahar Qazi, Mayur Rathi, Khalid Raza, Reza Saatchi, Susrita Sahoo, Satya Narayan Sahu, Sitanshu Sekhar Sahu, Charu Singh, Rakesh Kumar Sinha, Shefali Sonavane, Mrutyunjay Suar, Sunil Tamhankar, João Manuel R.S. Tavares, and Padma Rani Verma
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- 2020
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34. Molecular interaction study of phytochemicals with native and mutant protein related to nephrotic syndrome
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Satya Narayan Sahu, Subrat Kumar Pattanayak, and Rojalin Sahu
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Mutation ,biology ,urogenital system ,Chemistry ,Mutant ,urologic and male genital diseases ,medicine.disease ,medicine.disease_cause ,chemistry.chemical_compound ,Berberine ,Biochemistry ,Mutant protein ,Podocin ,biology.protein ,medicine ,Prohibitin ,Stomatin ,Nephrotic syndrome - Abstract
Analysis of structural and functional binding performance of proteins related to genetic basis of diseases is a measure challenge. Podocin protein is a member of flotillin, stomatin and prohibitin, which expressed in nephron tissue. Type 2 nephrotic syndrome (NPHS2) occurs due to mutation in podocin protein. In the present article we have evaluated the binding performance of podocin protein both native as well as mutant with different phytochemicals like aegeline and berberine. We found that aegeline shown better inhibitory effect as compare to berberine against type 2 nephrotic syndrome.
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- 2020
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35. Biosensor and its implementation in diagnosis of infectious diseases
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Subrat Kumar Pattanayak, Satya Narayan Sahu, Susrita Sahoo, Mrutyunjay Suar, and Namrata Misra
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Single chip ,chemistry.chemical_compound ,Medical diagnostic ,biology ,chemistry ,Computer science ,parasitic diseases ,Plasmodium falciparum ,Computational biology ,biology.organism_classification ,Biosensor ,Heme - Abstract
The recent advancements in biotechnology and biomarkers discovery are now refining many biological systems in disease and diagnostic. The growing demand of application of biosensors in the field of medical diagnostic is because of its high sensitivity and multifunctional performances by a single chip. Currently, biosensor is widely used in health care, particularly diagnosis of infectious diseases as the number of predicted deaths remains high, with the pandemics and epidemics hazards and antibiotics resistance to various pathogens. The current scenario of biosensor technologies has potential to convey bed-side diagnostics, which matches traditional standards with respect to cost, accuracy, and time. Nevertheless, constant refinement in the technology is needed in order to provide lab-on-chip rapid, affordable, and accurate diagnostic. In this chapter, the importance of biosensor to diagnose several infectious as well as pathogenesis diseases like malaria has been discussed. Previous studies have stated that both Plasmodium falciparum dihydrofolate reductase–thymidylate synthase (PfDHFR-TS) and P. falciparum heme detoxification protein (PfHDP) are promising biomarker targets for malaria. Herein, in-depth analysis underpinning molecular interaction of PfDHFR and PfHDP with heme is studied employing molecular docking approach. Various structure validation tools confirmed the reliability of the modeled structures. The binding energy was found to be −7.47 kcal/mol and −9.61 kcal/mol for docked PfHDP and heme and PfDHFR-TS and heme complexes, respectively. The binding energy and other parameters like intermolecular energy and electrostatic energy corroborated that heme could perform better sensing strength toward PfDHFR-TS.
- Published
- 2020
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36. Real-time data analytics in healthcare using the Internet of Things
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Satya Narayan Sahu, Maheswata Moharana, Fahmida Khan, Subrat Kumar Pattanayak, Shanta Chakrabarty, and Purna Chandra Prusti
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Computer science ,business.industry ,Analytics ,Interface (computing) ,Real-time computing ,Data analysis ,Cloud computing ,The Internet ,Real-time data ,business ,Field (computer science) ,Variety (cybernetics) - Abstract
The Internet of Things (IoT) represents a new direction in modeling and monitoring biomedical data. A wide variety of devices embedded with sensors and actuators interconnected over the Internet can now interface directly with one another, allowing for quick and precise collection and analysis of data. This presents all sorts of interesting possibilities for the field of healthcare, one of which is the heart rate monitoring system proposed in this chapter. The system uses a pulse sensor attached to a person’s fingertip to measure heart rate in beats per minute. The data generated is visualized via liquid crystal display and stored in the cloud for later use and analysis. With the help of the IoT, patients can be monitored continuously and real-time data can be collected and shared. This allows for more precise diagnosis and management of cardiovascular conditions. This chapter presents our proposed system and explains how it works.
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- 2020
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37. Contributors
- Author
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Christos Anagnostopoulos, Shivaranjani Anbarsu, Bhargav Appasani, N.P.G. Bhavani, Shanta Chakrabarty, Everton de Matos, Rick Siow Mong Goh, Malka N. Halgamuge, Zhaozheng He, Fabiano Hessel, Chittaranjan Hota, N. Jayachitra, Irosha Jayatilleka, Sergio F. Johann, V. Karthikeyan, Fahmida Khan, Zengxiang Li, Yongjun Li, Dusmanta Kumar Mohanta, Maheswata Moharana, Carlos Roberto Moratelli, Stefanos Nikolaou, Syam Kumar Pasupuleti, Subrat Kumar Pattanayak, Dimitrios Pezaros, Gabriel Portal, Purna Chandra Prusti, Arockia Xavier Annie Rayan, Satya Narayan Sahu, Rajesh Kumar Shrivastava, V. Srividhya, K. Sujatha, Ramão Tiago Tiburski, Dheerendra Varma, Vettriselvi Vetrian, Mingzbhong Xiao, and Quanqing Xu
- Published
- 2020
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38. Healthcare Information Technology for Rural Healthcare Development: Insight into Bioinformatics Techniques
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Satya Narayan Sahu, Shanta Chakrabarty, Jagannath Panda, Subrat Kumar Pattanayak, Tejaswini Sahoo, and Rojalin Sahu
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Government ,business.industry ,Computer science ,media_common.quotation_subject ,Bioinformatics ,Constructive ,Pipeline (software) ,Field (computer science) ,Visualization ,Health care ,Quality (business) ,Rural area ,business ,media_common - Abstract
Continuous investments made by government of India in healthcare information technology as well as various health care programmers allow a revolution in healthcare and technology sector. This revolution helps in improvement of quality and reduction of cost in this field. However in the present scenario the healthcare systems are still in pitiable condition in many rural areas. Most of the time the lack of effective communication between patient and doctor creates ample of health hazards in rural areas. To avoid the communication gap and early prediction of diseases in rural community a pipeline is modeled in the present study, which is based on human whole genome sequencing to protein sequence and the diagnosis of disease by using different biomarkers and computational techniques. Advances in computational methodologies have ushered of innovations in calculation, visualization and prediction of factors relating to different diseases with novel strategies like protein interactive networks comparative genomics, bioinformatics and different online/offline software and tools. By the help of this studied modeled strategy doctor can easily predict the diseases and refer to the patient for early treatment. The health hazards in rural areas can be minimized with constructive application of this method in health care system.
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- 2020
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39. Optical discrimination of fluoride and cyanide ions by coumarin-salicylidene based chromofluorescent probes in organic and aqueous medium
- Author
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Subrata Kumar Padhan, Mana Bhanjan Podh, Satya Narayan Sahu, and Prabhat K. Sahu
- Subjects
010405 organic chemistry ,Chemistry ,Cyanide ,Inorganic chemistry ,Metals and Alloys ,010402 general chemistry ,Condensed Matter Physics ,01 natural sciences ,Fluorescence ,0104 chemical sciences ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,Ion ,chemistry.chemical_compound ,Deprotonation ,Materials Chemistry ,Proton NMR ,Titration ,Electrical and Electronic Engineering ,Acetonitrile ,Instrumentation ,Fluoride - Abstract
Two chromofluorescent coumarin-functionalized salicylidene based probes (3a and 3b) have been synthesized and evaluated for selective detection of fluoride and cyanide ions. Probes 3a and 3b selectively detect fluoride ions in acetonitrile medium via H-bond interaction and subsequent deprotonation to elicit a distinct visual colour change from colourless to deep red with a significant enhancement in their emission intensity to “turn on” a yellow fluorescence. In addition, probe 3a could optically discriminate the presence of cyanide ions over other anions by a colour change from colourless to deep yellow with an enhancement of green fluorescence in aqueous-acetonitrile medium (1:1 v/v). Job’s plot experiments revealed a 1:2 binding stoichiometry between the probes and fluoride or cyanide ions. A detailed analysis of the binding characteristics of probe 3a with fluoride and cyanide ions have been further carried out by 1H NMR titration studies which indicates a good correlation between colorimetric, UV–vis and 1H NMR observations. These experimental results were further corroborated from the theoretical models using quantum chemical calculations.
- Published
- 2018
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40. A Base-Mediated 6-exo -trig versus 6-exo -dig Carbocyclization Strategy for the Synthesis of Functionalized Biaryl Compounds
- Author
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Ramendra Pratap, Ranjay Shaw, Rahul Panwar, Satya Narayan Sahu, Abhinav Kumar, and Pratik Yadav
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chemistry.chemical_classification ,Base (chemistry) ,010405 organic chemistry ,Stereochemistry ,Organic Chemistry ,010402 general chemistry ,01 natural sciences ,0104 chemical sciences ,chemistry.chemical_compound ,chemistry ,Baldwin's rules ,Yield (chemistry) ,Dig ,Allyl cyanide ,Chemoselectivity - Abstract
A base-mediated carbocyclization study has been performed between two allowed Baldwin cyclization modes (6-exo-trig and 6-exo-dig) and it was found that 6-exo-trig cyclization was preferred over 6-exo-dig. Allyl cyanide was found to be suitable and efficient pronucleophile for this investigation and two sp2–sp2 transition-metal-free C−C bond formations took place in a single operation to yield two differently functionalized biaryl compounds.
- Published
- 2017
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41. Computational Biology Approach in Management of Big Data of Healthcare Sector
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Sushma Rani Martha, Satya Narayan Sahu, Pradeep Kumar Maharana, Maheswata Moharana, Subrat Kumar Pattanayak, and Akalabya Bissoyi
- Subjects
Bond length ,String database ,Virtual screening ,Residue (chemistry) ,Gene interaction ,business.industry ,Hydrogen bond ,Computer science ,Big data ,Stacking ,Computational biology ,business - Abstract
It is very much necessary to properly manage and screen the most optimal data, avoiding redundancy in the place of necessity. In this chapter, we are examining gene interaction of Alzheimer’s disease (AD) using a string database. Through molecular docking analysis, we studied binding energy, binding residue, bond name, and bond length of the interaction between the proteins that are most targeted with drugs for AD. In this chapter, we have tried to demonstrate some of the approaches that can be implemented for screening of genes and proteins related to a common human genetic disorder. Using virtual screening, we have collected a list of the most appropriate drugs for the targeted disorder. Finally, we studied the interaction between drugs and each protein, which was carried out using the molecular docking process. We found the TYR 134 is involved in a conventional hydrogen bond in GSK3B and an alstertaullone interaction. Both ILE62 and ASP200 are involved in a π-sigma and π-anion bond, respectively. Between GSK3B and I-5, LYS 85 and ARG141 residue are involved in a hydrogen bond. The residue TYR 134 is involved in a π-π stacking bond.
- Published
- 2019
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42. Natural bond orbital analysis of creatinine: A DFT approach study
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Satya Narayan Sahu, Maheswata Moharana, and Subrat Kumar Pattanayak
- Subjects
Crystallography ,Creatinine ,chemistry.chemical_compound ,Chemistry ,Mole ,Density functional theory ,Conformational isomerism ,Acceptor ,Natural bond orbital - Abstract
We have studied different interactions on the basis of the NBO analysis of both conformer of creatinine by using density function theory method. The energy between donor of C1-C3 and acceptor of C2-N8 is 1.69 kcal/mol, donor of C1 - C3 and acceptor of N6 - C11 is 3.96 kcal/mol for amino isomer. However we found the energy difference between C1 - N 6 and C 2 - N9 is 3.90 kcal/mol, C2 - N6 and N7 - H8 is 2.42 kcal/mol and C3 - N7 and C2 - N9 is 3.61 kcal/mol. The occupancy for C1-C3, C1-H4,C1-H5 and C1-N6 are 1.98294,1.97219,1.97491 and1.98091 respectively for amino isomer. For imino isomer we found the occupancy for C1 - C3, C1 - H4, C1 - N6, C3- O11 are 1.97607, 1.97033,1.98459 and 1.99574 respectively. These interaction energies are responsible for stabilization and also some nonbonding interactions enhance the stability.We have studied different interactions on the basis of the NBO analysis of both conformer of creatinine by using density function theory method. The energy between donor of C1-C3 and acceptor of C2-N8 is 1.69 kcal/mol, donor of C1 - C3 and acceptor of N6 - C11 is 3.96 kcal/mol for amino isomer. However we found the energy difference between C1 - N 6 and C 2 - N9 is 3.90 kcal/mol, C2 - N6 and N7 - H8 is 2.42 kcal/mol and C3 - N7 and C2 - N9 is 3.61 kcal/mol. The occupancy for C1-C3, C1-H4,C1-H5 and C1-N6 are 1.98294,1.97219,1.97491 and1.98091 respectively for amino isomer. For imino isomer we found the occupancy for C1 - C3, C1 - H4, C1 - N6, C3- O11 are 1.97607, 1.97033,1.98459 and 1.99574 respectively. These interaction energies are responsible for stabilization and also some nonbonding interactions enhance the stability.
- Published
- 2019
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43. Molecular docking approach study of binding performance of antifungal proteins
- Author
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Satya Narayan Sahu, Maheswata Moharana, Subrat Kumar Pattanayak, and Rojalin Sahu
- Subjects
Hydrophobic effect ,Antifungal ,Antifungal protein ,Chemistry ,Docking (molecular) ,Stereochemistry ,Hydrogen bond ,medicine.drug_class ,Binding energy ,Protein Data Bank (RCSB PDB) ,medicine ,Ligand (biochemistry) - Abstract
Herein, we present the molecular docking study to find out the comparative study of binding performance between three antifungal proteins like ginkbilobin-2 (PDB ID:3A2E), ripening-associated proteins (PDB ID:1Z3Q) which are plant producing antifungal proteins, where as protein s100-a12 (PDB ID:1E8A) is a human producing antifungal protein with the below discussed compound. The binding energy is found -5.29 kcal/mol, for protein having PDBID: 1E8A. For protein PDB ID:1Z3Q with our studied ligand, the binding energy is found -5.56 kcal/mol and for protein PDBID: 3A2E the binding energy is -5.08 kcal/mol. During our docking study we found three hydrogen bonding pattern are present in the 1E8A, where as four in both the case like 1Z3Q and 3A2E. Besides hydrogen bonds, hydrophobic interactions are present during the interactions.
- Published
- 2019
- Full Text
- View/download PDF
44. Contributors
- Author
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Satyabrata Aich, Navneet Arora, Rabindra Kumar Barik, Akalabya Bissoyi, Dibya Jyoti Bora, Rajkumar Buyya, D.K. Chaturvedi, Sumit Chauhan, Himansu Das, Satya Ranjan Dash, Pandit Byomakesha Dash, Sukhpal Singh Gill, Mayank Gupta, Somnath Karmakar, Ramgopal Kashyap, Fuad Khan, Chul-Soo Kim, Hee-Cheol Kim, Pradeep Kumar Maharana, Sitikantha Mallik, Sushma Rani Martha, Bhabani Shankar Prasad Mishra, Chinmaya Misra, Suchismita Mohanty, Subhadarshini Mohanty, Subasish Mohapatra, Maheswata Moharana, Bighnaraj Naik, Janmenjoy Nayak, Md. Nuruddin Qaisar Bhuiyan, Md. Mehedi Hassan Onik, Luina Pani, Subrat Kumar Pattanayak, Chittaranjan Pradhan, Farhin Haque Proma, Rohit Rastogi, Shamim H. Ripon, Abhaya Kumar Sahoo, Satya Narayan Sahu, Santosh Satya, Md. Shamsujjoha, Pallavi Sharma, Kanithi Vakula, Vishwas Yadav, and Jinhong Yang
- Published
- 2019
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45. Synthesis of a new photoresponsive molecular carcerand
- Author
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Jochen Mattay, Jens Eberhard, Alexander B. Rozhenko, and Satya Narayan Sahu
- Subjects
Cis-trans isomerization ,Azobenzene ,010405 organic chemistry ,Chemistry ,Molecular capsule ,General Chemical Engineering ,General Physics and Astronomy ,Ether ,General Chemistry ,010402 general chemistry ,Photochemistry ,01 natural sciences ,0104 chemical sciences ,OFT ,chemistry.chemical_compound ,Covalent bond ,Resorcin[4]arene cavitand ,Proton NMR ,Carcerand ,Spectroscopy ,Isomerization ,Cis–trans isomerism - Abstract
The synthesis of a covalently bonded new photoresponsive molecular capsule formed from two resorcin [4]arene cavitands by fourfold ether linkages using azobenzene subunits is reported. The new molecular capsule undergoes trans to cis isomerization upon irradiation with 365 nm light and can be reversed back from cis to trans form by means of exposure to visible light (530 nm) in benzene solution. The photo-switchable behaviour was also investigated by H-1 NMR spectroscopy which further substantiated the UV-vis experiment. The quantum chemical calculations both at PM6 as well as at the DFT (B97-D) level of approximation for various stereoisomers starting from all-trans to all-cis indicated an increasing flexibility of these molecular capsules. (C) 2016 Elsevier B.V. All rights reserved.
- Published
- 2016
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46. One-pot and step-wise synthesis of thieno[3,2-c]pyridin-4-ones
- Author
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Ramendra Pratap, Surjeet Singh, Shally Shally, Ranjay Shaw, Satya Narayan Sahu, and Vishnu Ji Ram
- Subjects
010405 organic chemistry ,General Chemical Engineering ,Hydrazine ,General Chemistry ,010402 general chemistry ,01 natural sciences ,Medicinal chemistry ,0104 chemical sciences ,chemistry.chemical_compound ,chemistry ,Organic chemistry ,Hydrate ,Single crystal ,Methyl mercaptoacetate - Abstract
Both one pot and step wise synthesis of methyl 3,5-diaminothieno[3,2-c]pyridin-4-one-2-carboxylates 6 have been delineated by the reaction of 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles 3, methyl mercaptoacetate and hydrazine hydrate. During the stepwise synthesis, functionalized thieno[3,2-c]pyran-4-ones 4 were isolated and treated with hydrazine hydrate to afford the desired products. Analogously, condensation–cyclisation of 5 with hydrazine hydrate delivered identical products, thieno[3,2-c]pyridin-4-ones 6, in excellent yields. The structure of isolated product 6 was ascertained by spectroscopic and single crystal X-ray diffraction analyses.
- Published
- 2016
- Full Text
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47. Coumarin functionalized thiocarbonohydrazones as a new class of chromofluorescent receptors for selective detection of fluoride ion
- Author
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Prabhat K. Sahu, Subrata Kumar Padhan, and Satya Narayan Sahu
- Subjects
010405 organic chemistry ,Chemistry ,General Chemical Engineering ,Inorganic chemistry ,General Chemistry ,010402 general chemistry ,Coumarin ,01 natural sciences ,Fluorescence ,0104 chemical sciences ,Ion ,Turn (biochemistry) ,chemistry.chemical_compound ,Deprotonation ,Receptor ,Fluoride ,Stoichiometry - Abstract
Two chromofluorescent thiocarbonohydrazone receptors (4 and 5) functionalized with coumarin derivatives have been synthesized and evaluated for selective detection of fluoride ions. Receptor 4 selectively recognizes fluoride ions via H-bond interaction and subsequent deprotonation to elicit a distinct visual colour change from colourless to pink with a significant 20-fold enhancement in its emission intensity to “turn on” a blue fluorescent. In contrast, receptor 5 exhibited a visible colour change from colourless to deep red upon interaction with fluoride ions over other anions. Detailed analysis of the binding characteristics of these receptors with fluoride ions revealed a 1 : 1 binding stoichiometry at lower concentrations while higher concentrations led to a 1 : 2 binding stoichiometry between the receptor and fluoride ions. These experimental results were further corroborated with quantum chemical calculations.
- Published
- 2016
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48. Efficient removal of two anionic dyes by a highly robust zirconium based metal organic framework from aqueous medium: Experimental findings with molecular docking study
- Author
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Soumya P Biswal, Satya Narayan Sahu, Raghabendra Samantaray, Jitendra Kumar Sahoo, Subrat Kumar Pattanayak, Rojalin Sahu, and Jagannath Panda
- Subjects
Thermogravimetric analysis ,Hydrogen bond ,Chemistry ,Materials Science (miscellaneous) ,Binding energy ,Inorganic chemistry ,Infrared spectroscopy ,02 engineering and technology ,Management, Monitoring, Policy and Law ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Pollution ,0104 chemical sciences ,Adsorption ,Proton NMR ,Metal-organic framework ,0210 nano-technology ,Mesoporous material ,Waste Management and Disposal ,Water Science and Technology - Abstract
A Zr (IV) based Metal Organic Framework (MOF), UiO-66 has been synthesized by hydrothermal method, and its application for adsorption of two industrially important anionic dyes, Reactive Blue (RB) and Congo Red (CR) was studied. The MOF was thoroughly characterized by Powder X-ray Diffraction (PXRD),UV-vis Diffused Reflectance Spectra (UV-DRS), Fourier-transform Infrared spectroscopy (FT-IR),Thermo Gravimetric Analysis (TGA), N2 adsorption isotherm, 1H Nuclear Magnetic Resonance spectra (1H NMR), Scanning Electronic Microscopy (SEM) and Transmission Electron Microscopy (TEM). From the obtained results, it has been confirmed that our synthesized MOF is mesoporous in nature. The hierarchical adsorption behavior of the MOF has been studied with the dyes, CR and RB by both experimental and molecular docking methods. The binding energy of UiO-66 was found to be -12.82 kcal/mol with CR and -9.42 kcal/mol with RB. Hydrogen bonding and hydrophobic interaction plays a crucial role during adsorption process of both the dyes. Both ligand efficiency and binding energy of CR is found higher as compared to RB. The comprehensive evidences from our experimental as well as molecular docking studies clearly demonstrated that adsorption of CR is higher as compared to RB by the MOF, UiO-66.
- Published
- 2020
- Full Text
- View/download PDF
49. Butterfly pea (Clitoria ternatea) extract as a green analytical tool for selective colorimetric detection of bisulphate (HSO4−) ion in aqueous medium
- Author
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Subrata Kumar Padhan, Punam Rana, Narayan Murmu, and Satya Narayan Sahu
- Subjects
biology ,Aqueous medium ,Chemistry ,Clitoria ternatea ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,biology.organism_classification ,01 natural sciences ,Economic benefits ,Fluorescence ,Atomic and Molecular Physics, and Optics ,0104 chemical sciences ,Analytical Chemistry ,Ion ,Hypsochromic shift ,0210 nano-technology ,Instrumentation ,Spectroscopy ,Nuclear chemistry - Abstract
The blue color of butterfly pea (Clitoria ternatea) was extracted by Milli-Q water and evaluated for selective detection of bisulphate (HSO4−) ions. The stability of the Clitoria ternatea extract was established by UV–visible and fluorescence techniques. The blue water extract from Clitoria ternatea selectively recognizes HSO4− ions over various anions via a distinct visual color change from blue to purple with a significant hypsochromic shift of 68 nm in the UV–visible absorption spectra. Thus Clitoria ternatea extract provides a selective real time colorimetric monitoring of HSO4− ions which would pave the way for the development of low cost green analytical tool. This type of detection technique enhances the environmental and economic benefits and can emerge as an alternative form of synthetic chelating sensors.
- Published
- 2020
- Full Text
- View/download PDF
50. Fullerene-Free Molecular Acceptors for Organic Photovoltaics
- Author
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Amaresh Mishra and Satya Narayan Sahu
- Subjects
chemistry.chemical_classification ,Fabrication ,Materials science ,Fullerene ,Organic solar cell ,Band gap ,Photovoltaic system ,Nanotechnology ,02 engineering and technology ,Electron acceptor ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Organic semiconductor ,chemistry ,0210 nano-technology ,Ternary operation - Abstract
Solution-processed bulk-heterojunction solar cells (BHJSCs) are the focus of photovoltaic research for the last 20 years due to new materials development, bandgap tunability through molecular design, high efficiency, and cost-effective fabrication and optimization. Much attention has been paid to the design and development of donor materials whereas the development of new electron accepting materials is at its infancy. For a long time fullerene and its derivatives have dominated the field as electron acceptor materials. In last few years, a significant progress has been made towards the development of fullerene-free acceptors (FFA) which in combination with conjugated polymers/oligomers as the donors reached power conversion efficiencies (PCE) up to 14% and exceed those of the fullerene-based OSCs. These sharp growth in PCE makes OSCs as one of the fastest growing solar technology. Specifically, in these devices the choice of FFAs and corresponding complementary donor materials plays critical role in achieving high efficiencies. This chapter summarizes recent development in the design principles of FFAs for BHJSCs. The role of FFAs in binary and ternary devices is discussed as a way to improve the device performance. A special attention is paid to the structure-activity relationships with the device performance and an approach for efficiency enhancement of OSCs.
- Published
- 2018
- Full Text
- View/download PDF
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