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Browsing by Author "Dinesha, P."

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    A study of the effect of injection pressure on the combustion, performance, and emission characteristics of cardanol biofuel blend fuelled compression ignition engine
    (John Wiley and Sons Ltd Southern Gate Chichester, West Sussex PO19 8SQ, 2015) Dinesha, P.; Mohanan, P.
    The use of biodiesel along with other alternative fuel sources is expected to address the twin problems of pollution and energy security. This study investigates the effect of injection pressure (IP) on the performance, combustion, and emission characteristics of a four-stroke single cylinder direct injection diesel engine fuelled with a biofuel, namely cardanol-methanol-diesel blend (B20M10). The results are compared with baseline diesel operations under standard operating conditions. The biofuel blend B20M10 (20% cardanol, 10% methanol, and 70% diesel) is used as fuel, and the combustion, performance, and emission characteristics are investigated at IP levels of 180, 200, and 220 bar. The test results show that the optimum fuel IP is 220 bar with B20M10. At this optimized pressure, a reduction in CO, HC, and smoke emissions with an increase in the oxides of nitrogen (NOx) and brake thermal efficiency (BTE) are noticed compared with 180 and 200 bar B20M10 operations. When compared with diesel (180 bar IP), B20M10 blend at 220 bar IP gives marginally lower BTE and lower CO and HC emissions, but oxides of nitrogen and smoke are slightly more. © 2014 Curtin University of Technology and John Wiley & Sons, Ltd.
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    An experimental investigation on performance and emission parameters of a multi-cylinder SI engine with gasoline–LPG dual fuel mode of operation
    (Taylor and Francis Ltd. michael.wagreich@univie.ac.at, 2017) Nayak, V.; Shankar, K.S.; Dinesha, P.; Mohanan, P.
    The present study deals with the performance and emission characteristics of a multi-point fuel injection (MPFI) spark ignition (SI) engine in gasoline–liquefied petroleum gas (LPG) dual fuel mode of operation. The LPG–gasoline ratio varied from 0 to 100% by controlling the injector signals at various speed and load conditions. Experiments show that the power output decreases with increase in speed and LPG content at lower load marginally due to lower volumetric efficiency. At higher load and lower speed conditions as the percentage of LPG increases there is not much difference in the power output. Results also reveal that 50% LPG flow gives maximum efficiency at full load condition and 4000 rpm due to lower fuel consumption. With 50% usage of LPG, the average increase in brake thermal efficiency (BTE) is 2% till the engine speed of 4000 rpm at full load (100%) and half load (50%) conditions. As the LPG ratio increases the engine will work in the lean region for all speed and load conditions. For all load and speed conditions, results reveal that 100% LPG will give minimum hydrocarbon (HC) and carbon monoxide (CO) emissions. Oxide of nitrogen (NOX) emissions are higher for 100% LPG. However 50% LPG flow gives good agreement of NOX, HC and CO emissions when compared with gasoline operation. © 2016 Informa UK Limited, trading as Taylor & Francis Group.
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    Combined effect of oxygen enrichment and exhaust gas recirculation on the performance and emissions of a diesel engine fueled with biofuel blends
    (Taylor and Francis Ltd. michael.wagreich@univie.ac.at, 2018) Dinesha, P.; Mohanan, P.
    The present study investigates the combined effect of oxygen enrichment and exhaust gas recirculation (EGR) on the performance and emission characteristics of a cardanol biofuel blend, namely B20M10 (20% cardanol, 70% diesel and 10% methanol by volume). The tests are conducted on a four-stroke single-cylinder diesel engine at different loading conditions. Intake air is enriched by 7% of the atmospheric oxygen concentration and exhaust gas is recirculated by 10, 15 and 20% of the total intake charge. Research results reveal that the oxides of nitrogen (NOx) emission decreases as the percentage of EGR increases from 0 to 20%. The results shows 11.8% lower NOx B20M10 at 7% oxygen enrichment and 20% EGR when compared to B20M10 without oxygen enrichment and 0% EGR. Higher carbon monoxide (CO), unburnt hydrocarbon (HC) and smoke, and lower brake thermal efficiency are obtained for higher EGR percentages. From the studies it can be stated that B20M10 cardanol biofuel blend with 7% intake air oxygen enrichment and 15% EGR shows better reduction in NOx emissions with minimum penalty of performance and other emission characteristics. © 2016 Informa UK Limited, trading as Taylor & Francis Group.
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    Cycle by cycle variations of LPG-gasoline dual fuel on a multi-cylinder MPFI gasoline engine
    (Taylor and Francis Ltd. michael.wagreich@univie.ac.at, 2018) Vighnesha, N.; Shankar, K.S.; Dinesha, P.; Mohanan, P.
    Combustion stability of a multipoint port fuel injection spark ignition engine working on liquefied petroleum gas (LPG)-gasoline dual fuel mode of operation was analysed. LPG-gasoline ratio was varied from 0 to 100% by controlling the injector signals at wide open throttle condition and 3000 RPM. Increasing LPG ratio will give higher peak pressure and higher indicated mean effective pressure (IMEP) because of the higher flame propagation speed of LPG. The experiment showed that maximum pressure will occur nearer to top dead centre when compared to gasoline. Fluctuation in maximum pressure is higher for LPG and is minimum for 50% LPG. Time return map showed that combustion instabilibity will be more for 100% LPG and is less for 50% LPG. Coefficient of variation of IMEP and maximum pressure for gasoline is higher than LPG. With 100% LPG, NOx emission is almost three times that of gasoline. Hence it can be concluded that 50% LPG will give the better combustion characteristics when compared to other fuel blends. © 2017, © 2017 Informa UK Limited, trading as Taylor & Francis Group.
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    Design, synthesis, characterization, and biological evaluation of novel pyrazine-1,3,4-oxadiazole/[1,2,4] triazolo[3,4-b][1,3,4]thiadiazine hybrids as potent antimycobacterial agents
    (Elsevier B.V., 2024) Naik, S.; Dinesha, P.; Udayakumar, U.; Shetty, V.P.; Deekshit, V.K.
    In this study, we present novel pyrazine-1,3,4-oxadiazole hybrids (T1-T9) and [1,2,4]triazolo[3,4-b][1,3,4]thiadiazine derivatives (T10-T18), which possess remarkable antimicrobial activity. These compounds have been meticulously scrutinized for their efficacy in combatting the M. tuberculosis H37Rv strain. Three compounds T7, T8, and T17 showed promising antitubercular activity with MIC of 1.56 µg/mL. The target compounds are also evaluated for their antibacterial activity against S. aureus, S. mutans, E. coli, and S. Typhi, and antifungal activity against A. niger. Most of the compounds showed significant antibacterial and antifungal activity. All the active compounds exhibited very low toxicity and none of the active compounds were toxic to the normal cells. To deepen our understanding of these compounds, an in-silico ADME, and molecular docking analysis against the DprE1 enzyme were conducted, followed by DFT studies to shed some light on their electronic properties, and enhance our grasp of their pharmacological potential. © 2024 Elsevier B.V.
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    Effect of oxygen enrichment of intake air on the performance and emission of single cylinder CI engine fueled with cardanol blends
    (Taylor and Francis Inc. 325 Chestnut St, Suite 800 Philadelphia PA 19106, 2015) Dinesha, P.; Mohanan, P.
    In this study, the effect of intake air enrichment on the performance and emission characteristics of a single-cylinder direct-injection diesel engine fueled with non edible oil namely Cardanol-diesel-methanol blend (B20M10) are investigated. With increase of intake air oxygen concentration, CO and HC decreased while brake thermal efficiency and NOx considerably increased. The maximum Brake Thermal Efficiency of 33.98% is obtained for B20M10 with 7% oxygen enrichment of intake air. Maximum NOx emission 20% is obtained for B20M10 with 7% oxygen enrichment for the full load condition. Decreases of 20% and 14.5% in CO emission are obtained for B20M10, over B20M10 with 7% oxygen enrichment, where as 76.8% and 74% decrease in hydrocarbon emission is obtained over B20M10 without oxygen enrichment.
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    Effect of oxygen enrichment on the performance, combustion, and emission of single cylinder stationary CI engine fueled with cardanol diesel blends
    (Korean Society of Mechanical Engineers, 2014) Dinesha, P.; Nayak, V.; Mohanan, P.
    We investigated the effect of intake air enrichment on the performance, combustion, and emission characteristics of a single cylinder direct-injection stationary diesel engine fueled with non- edible alternative fuel, namely, cardanol - diesel - methanol blend (B20M10). The results were compared with baseline diesel operations under standard operating conditions. The bio-fuel blend B20M10 (20% cardanol, 10% Methanol, and 70% diesel) was used as fuel and the combustion, performance, and emission characteristics were investigated by oxygen enriching of intake air with 3, 5, and 7 percentage by weight. With the increase of intake air oxygen concentration, CO, HC, and smoke were found to be decreased. But BTE and NOx emission were considerably increased. The blended fuel B20M10 with 7% oxygen enrichment of intake air was compared with diesel operation. The results show a 0.5% lesser BTE, 28% more NOx emission at full load condition. There is not much variation of smoke emission to be noticed for this fuel combination compared to diesel. © 2014 The Korean Society of Mechanical Engineers and Springer-Verlag Berlin Heidelberg.
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    Effect of varying 9-Octadecenoic acid (oleic fatty acid) content in biofuel on the performance and emission of a compression ignition engine at varying compression ratio
    (Taylor and Francis Ltd. michael.wagreich@univie.ac.at, 2018) Dinesha, P.; Jagannath, K.; Mohanan, P.
    The 9-Octadecenoic acid (oleic fatty acid) content of vegetable oil seeds can be altered by mutagenesis, thereby increasing its content in the oil, for the purpose of increasing shelf life. In this work, the effect of varying the oleic acid content in ester on the performance and emission of a CI engine was examined. For this purpose, the situation was simulated by adding commercially available 9-Octadecenoic acid to pongamia ester; in terms of different percentages, the experiments were conducted with 10% and 20% extra oleic acid, at 16, 17, 17.5 and 18 compression ratio (CR). The results indicate that the smoke emission and BSEC increase with increase in oleic acid content, whereas the BTE and NOx decrease with increased proportions of oleic acid for all CRs. Pongamia methyl ester with 10% extra oleic acid at 17 CR results in lower NOx when compared to neat pongamia methyl ester at a normal CR of 17.5. Smoke emission increases with extra oleic acid content for all CRs; however, it is minimum at 17 CR for 10% extra oleic acid. From the research it is concluded that pongamia methyl ester with 10% extra oleic acid at 17 CR results in better performance and emission. © 2017 Informa UK Limited, trading as Taylor & Francis Group.
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    Evaluation of combustion, performance and emissions of a diesel engine fueled with bio-fuel produced from cashew nut shell liquid
    (Taylor and Francis Ltd. michael.wagreich@univie.ac.at, 2015) Dinesha, P.; Mohanan, P.
    Presently, energy security and food security are two major problems of developing countries. The use of edible oils as an alternative fuel for internal combustion may lead to a food crisis. The non-edible plant-based alternative fuel not only results in energy security but also helps to keep the environment free from pollution. In this experimental investigation, a non-edible plant-based bio-fuel cardanol produced from cashew nut shell liquid (CNSL) is used to study the combustion, performance and emissions of a single-cylinder diesel engine. The test conditions of the engine are 200 bar injection pressure and 27.5 degree bTDC injection timing. The bio-fuel blends B10M10 (10% cardanol + 80% diesel + 10% methanol), B20M10, and B30M10 (30% cardanol + 60% diesel + 10% methanol) were tested at 25%, 50%, 75%, and full load conditions. The results were compared with baseline diesel operation. From the experimental work, it was observed that the brake thermal efficiency of B10M10 and B20M10 (20% cardanol + 70% diesel + 10% methanol) is comparatively similar to that of diesel. The lower emissions of CO, hydrocarbon, and smoke are encouraging to recognize B20M10 as an optimized fuel blend for a compression ignition engine at 200 bar injection pressure and 27.5 degree bTDC. The significant factors of cardanol bio-fuel include its low cost, non-edible, abundance, and it is a by-product of the cashew nut industries. © © 2015 Taylor & Francis.
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    Experimental analysis of cardanol biofuel as an alternative fuel for diesel engines with air-side oxygen enrichment
    (2014) Dinesha, P.; Nayak, V.; Kumar, D.; Mohanan, P.
    The present study investigates the effect of air-side oxygen concentration enrichment on the performance and emission of a single cylinder diesel engine using a bio-fuel blend as fuel. In this study, a natural phenolic compound, namely, cardanol is selected as the bio-fuel, which is obtained from the shell of cashew nut after purification. A blend of B10M10 (10% cardanol +10% methanol + 80% diesel by volume) is prepared and tested in the engine at various loading conditions. The experiments are carried out at atmospheric oxygen condition and an increment of 3, 5, and 7% of atmospheric oxygen concentration by weight. There is a drastic reduction in HC, CO, and smoke except for NOx emission. The level of NOx emission increases as the oxygen concentration in the intake air is increased. The performance characteristic will increase as the oxygen concentration increases, and higher brake thermal efficiency is obtained for B10M10 at 7% oxygen concentration. B10M10 with 7% oxygen enrichment gives better results, similar to diesel, except for NOx emission. � (2014) Trans Tech Publications, Switzerland.
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    Experimental analysis of cardanol biofuel as an alternative fuel for diesel engines with air-side oxygen enrichment
    (Trans Tech Publications Ltd ttp@transtec.ch, 2014) Dinesha, P.; Nayak, V.; Kumar, D.; Mohanan, P.
    The present study investigates the effect of air-side oxygen concentration enrichment on the performance and emission of a single cylinder diesel engine using a bio-fuel blend as fuel. In this study, a natural phenolic compound, namely, cardanol is selected as the bio-fuel, which is obtained from the shell of cashew nut after purification. A blend of B10M10 (10% cardanol +10% methanol + 80% diesel by volume) is prepared and tested in the engine at various loading conditions. The experiments are carried out at atmospheric oxygen condition and an increment of 3, 5, and 7% of atmospheric oxygen concentration by weight. There is a drastic reduction in HC, CO, and smoke except for NOx emission. The level of NOx emission increases as the oxygen concentration in the intake air is increased. The performance characteristic will increase as the oxygen concentration increases, and higher brake thermal efficiency is obtained for B10M10 at 7% oxygen concentration. B10M10 with 7% oxygen enrichment gives better results, similar to diesel, except for NOx emission. © (2014) Trans Tech Publications, Switzerland.
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    Experimental investigations on the performance and emission characteristics of single cylinder CI engine fueled with cardanol - Diesel - Methanol blends
    (2013) Dinesha, P.; Mohanan, P.
    In this study, non edible oil namely Cardanol is directly blended with diesel for use in a single cylinder CI engine. Mthanol is added as an additive to improve the volatility, atomization etc. Experiments are carried out with various blends of cardanol namely B20 and B30 with 10% methanol and results are compared with B20. Results have shown that blend of 20% cardanol in diesel with 10% methanol gives higher brake thermal efficiency (BTE) at all loads compared to the 20% cardanol in diesel and minimum NOx emissions are observed. Smoke opacity and CO emissions are lower for the blend of 20% cardanol in diesel with 10% methanol than B20 at all load conditions. The results reveal that blend of 20% Cardanol - in diesel with 10% volume provide better engine performance (BTE) and improved emission characteristics.
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    Experimental investigations on the performance and emission characteristics of single cylinder CI engine fueled with cardanol - Diesel - Methanol blends
    (Korean Society of Combustion, 2013) Dinesha, P.; Mohanan, P.
    In this study, non edible oil namely Cardanol is directly blended with diesel for use in a single cylinder CI engine. Mthanol is added as an additive to improve the volatility, atomization etc. Experiments are carried out with various blends of cardanol namely B20 and B30 with 10% methanol and results are compared with B20. Results have shown that blend of 20% cardanol in diesel with 10% methanol gives higher brake thermal efficiency (BTE) at all loads compared to the 20% cardanol in diesel and minimum NOx emissions are observed. Smoke opacity and CO emissions are lower for the blend of 20% cardanol in diesel with 10% methanol than B20 at all load conditions. The results reveal that blend of 20% Cardanol - in diesel with 10% volume provide better engine performance (BTE) and improved emission characteristics.
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    Hydrazineyl-linked imidazole[1,2-a]pyrimidine-thiazole hybrids: design, synthesis, and in vitro biological evaluation studies
    (Royal Society of Chemistry, 2025) Dinesha, P.; Naik, S.; Udayakumar, U.; Revanasiddappa, B.C.; Ranjan, V.; Veeranagaiah, N.S.
    This research work details the use of a molecular hybridization technique to create a library of four series of hydrazineyl-linked imidazo[1,2-a]pyrimidine-thiazole derivatives. The structure of one of the final products, K2, was validated using single-crystal X-ray diffraction. Twenty-six novel hybrid molecules (K1-K26) were synthesized and tested for activity against the mycobacterium tuberculosis H37Rv strain. Three compounds (K1, K2, and K3) demonstrated significant inhibitory efficacy, with a MIC value of 1.6 ?g mL?1. The target compounds also showed significant antibacterial activity against four bacterial strains, namely S. aureus, E. coli, B. subtilis, and P. aeruginosa. In cytotoxicity studies using VERO cells, the potent anti-TB compounds (K1, K2, and K3) showed non-toxic profiles. Furthermore, in silico ADME assessment results, molecular docking (against InhA and CYP121), and DFT studies revealed the active compounds' significant potential as scaffolds for novel antitubercular medicines. © 2025 The Royal Society of Chemistry.
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    Impact of injection timing on the performance and emission characteristics of a diesel engine fueled with cardanol blends
    (2015) Dinesha, P.; Nayak, V.; Mohanan, P.
    The present study investigates the effects of fuel injection timing (IT) on the performance and emission characteristics of a four stroke, single cylinder direct injection water cooled diesel engine when fueled with the blend of cardanol bio-fuel blends namely B10M10, B20M10 and B30M10. Tests have been conducted with an engine speed of 1500 rpm, fixed compression ratio 17.5:1, at full load condition and 220 bar injection pressure (IP). The performance and emission characteristics are studied at three different ITs. The fuel IT is varied by retarding 2 deg. and advancing 2 deg. with respect to 27.5 deg. bTDC and the tests are performed at 25.5, 27.5, and 29.5 deg. bTDC ITs. At the advanced IT, BSEC decreased as early start of fuel injection ensures more complete combustion owing to improved reaction between fuel and oxygen. Considerable reduction in CO, HC, and smoke emissions are achieved, while NOx emission showed an increasing trend with 29.5 deg. IT and 220 bar IP. The results of the present investigation of cardanol bio-fuel blends show slight variation in performance, combustion, and emission characteristics between B10M10 and B20M10 compared to B30M10 blend at 29.5 deg. bTDC advanced IT and 220 bar IP.
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    Impact of injection timing on the performance and emission characteristics of a diesel engine fueled with cardanol blends
    (Combustion Institute, 2015) Dinesha, P.; Nayak, V.; Mohanan, P.
    The present study investigates the effects of fuel injection timing (IT) on the performance and emission characteristics of a four stroke, single cylinder direct injection water cooled diesel engine when fueled with the blend of cardanol bio-fuel blends namely B10M10, B20M10 and B30M10. Tests have been conducted with an engine speed of 1500 rpm, fixed compression ratio 17.5:1, at full load condition and 220 bar injection pressure (IP). The performance and emission characteristics are studied at three different ITs. The fuel IT is varied by retarding 2 deg. and advancing 2 deg. with respect to 27.5 deg. bTDC and the tests are performed at 25.5, 27.5, and 29.5 deg. bTDC ITs. At the advanced IT, BSEC decreased as early start of fuel injection ensures more complete combustion owing to improved reaction between fuel and oxygen. Considerable reduction in CO, HC, and smoke emissions are achieved, while NOx emission showed an increasing trend with 29.5 deg. IT and 220 bar IP. The results of the present investigation of cardanol bio-fuel blends show slight variation in performance, combustion, and emission characteristics between B10M10 and B20M10 compared to B30M10 blend at 29.5 deg. bTDC advanced IT and 220 bar IP.
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    Noncovalent inhibitors of DprE1 for tuberculosis treatment: design, synthesis, characterization, in vitro and in silico studies of 4-oxo-1,4-dihydroquinazolinylpyrazine-2-carboxamides
    (Taylor and Francis Ltd., 2025) Naik, S.; Dinesha, P.; Udayakumar, U.
    In this study, we present a novel series of 4-oxo-1,4-dihydroquinazolinylpyrazine-2-carboxamide derivatives, which exert their inhibitory effect on decaprenylphosphoryl-?-D-ribose 2’-epimerase (DprE1) via the establishment of non-covalent interactions with the pivotal Cys387 residue located within the enzyme’s active site. These compounds underwent scrutiny for their efficacy in combatting the Mycobacterium tuberculosis H37Rv strain, and compounds T8 and T13 exhibited promising antitubercular activity, boasting a minimal inhibitory concentration (MIC) of 7.99 and 8.27 µM respectively. Additionally, three compounds, T2, T3 and T12, showcased substantial antibacterial activity whereas compounds T12 and T13 exhibited pronounced antifungal efficacy. Remarkably, all active compounds demonstrated negligible cytotoxicity, and none posed harm to normal cells. To attain a more profound comprehension of the attributes of these compounds, we conducted in silico investigations to evaluate their Absorption, Distribution, Metabolism and Excretion properties. Additionally, molecular docking analyses were executed to elucidate their interactions with the DprE1 enzyme. Finally, Density Functional Theory studies were leveraged to explore the electronic characteristics of these compounds, thereby providing insights into their potential utility in the realm of pharmaceuticals. © 2024 Informa UK Limited, trading as Taylor & Francis Group.
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    Performance and emission characteristics of LPG-Gasoline dual fuel on a multi-cylinder MPFI gasoline engine
    (2015) Nayak, V.; Shankar, K.S.; Dinesha, P.; Mohanan, P.
    The present research experimentally investigates the performance and emission characteristics of LPG-Gasoline dual fuel on a gasoline engine. The engine setup consists of four stroke, four cylinder, water cooled MPFI engine with eddy current type loading unit. Experiments have been conducted with different LPG-Gasoline ratio (0%, 25%, 50%, 75%, and 100%) by mass and different speeds from 2000 to 4500 rpm in steps of 500 rpm at full load condition. From experimental investigation it is found that with the 50% usage of LPG, increases the brake thermal efficiency and volumetric efficiency when compared to gasoline for speed range of 2000 rpm to 4000 rpm. LPG will have much lower CO and HC emissions when compared to gasoline. This is a positive effect on environment. But for other LPG-gasoline ratio these emissions going to increases when compared to LPG but it is well below when compared to gasoline for all speeds. NOx emission is more for LPG almost 4 times that of gasoline for all speed conditions. For other LPG-gasoline ratio NOx emission is lower.
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    Performance and emission characteristics of LPG-Gasoline dual fuel on a multi-cylinder MPFI gasoline engine
    (Combustion Institute, 2015) Nayak, V.; Shankar, K.S.; Dinesha, P.; Mohanan, P.
    The present research experimentally investigates the performance and emission characteristics of LPG-Gasoline dual fuel on a gasoline engine. The engine setup consists of four stroke, four cylinder, water cooled MPFI engine with eddy current type loading unit. Experiments have been conducted with different LPG-Gasoline ratio (0%, 25%, 50%, 75%, and 100%) by mass and different speeds from 2000 to 4500 rpm in steps of 500 rpm at full load condition. From experimental investigation it is found that with the 50% usage of LPG, increases the brake thermal efficiency and volumetric efficiency when compared to gasoline for speed range of 2000 rpm to 4000 rpm. LPG will have much lower CO and HC emissions when compared to gasoline. This is a positive effect on environment. But for other LPG-gasoline ratio these emissions going to increases when compared to LPG but it is well below when compared to gasoline for all speeds. NOx emission is more for LPG almost 4 times that of gasoline for all speed conditions. For other LPG-gasoline ratio NOx emission is lower.
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    Structure-based drug design and characterization of novel pyrazine hydrazinylidene derivatives with a benzenesulfonate scaffold as noncovalent inhibitors of DprE1 tor tuberculosis treatment
    (Springer Nature, 2024) Naik, S.; Dinesha, P.; Udayakumar, D.
    In this study, we present a novel series of (E)-4-((2-(pyrazine-2-carbonyl) hydrazineylidene)methyl)phenyl benzenesulfonate (T1-T8) and 4-((E)-(((Z)-amino(pyrazin-2-yl)methylene)hydrazineylidene)methyl)phenyl benzenesulfonate (T9-T16) derivatives which exert their inhibitory effects on decaprenylphosphoryl-?-D-ribose 2'-epimerase (DprE1) through the formation of hydrogen bonds with the pivotal active site Cys387 residue. Their effectiveness against the M. tuberculosis H37Rv strain was examined and notably, three compounds (namely T4, T7, and T12) exhibited promising antitubercular activity, with a minimum inhibitory concentration (MIC) of 1.56 µg/mL. The target compounds were screened for their antibacterial activity against a range of bacterial strains, encompassing S. aureus, B. subtilis, S. mutans, E. coli, S. typhi, and K. pneumoniae. Additionally, their antifungal efficacy against A. fumigatus and A. niger also was scrutinized. Compounds T6 and T12 demonstrated significant antibacterial activity, while compound T6 exhibited substantial antifungal activity. Importantly, all of these active compounds demonstrated exceedingly low toxicity without any adverse effects on normal cells. To deepen our understanding of these compounds, we have undertaken an in silico analysis encompassing Absorption, Distribution, Metabolism, and Excretion (ADME) considerations. Furthermore, molecular docking analyses against the DprE1 enzyme was conducted and Density-Functional Theory (DFT) studies were employed to elucidate the electronic properties of the compounds, thereby enhancing our understanding of their pharmacological potential. © The Author(s), under exclusive licence to Springer Nature Switzerland AG 2024.
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