Search Results - "Yarasi, Soujanya"

Chemoinformatics and Machine Learning Approaches for Identifying Antiviral Compounds by John, Lijo, Soujanya, Yarasi, Mahanta, Hridoy Jyoti, Narahari Sastry, G.

“…Current pandemics propelled research efforts in unprecedented fashion, primarily triggering computational efforts towards new vaccine and drug development as…”
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Multicomponent Domino Approaches for the Synthesis of Spirooxazolidine‐2‐thiones and Spirooxothiolane‐2‐imines by Reddy Indukuri, Divakar, Reddy Potuganti, Gal, Maria Cherian, Arsha, Babu Nanubolu, Jagadeesh, Soujanya, Yarasi, Alla, Manjula

“…A one pot multicomponent protocol is described herein as an approach for construction of spirooxazolidine‐2‐thiones and spirooxothiolane‐2‐imines. In a DBU…”
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Trimethylsumanene: Enantioselective Synthesis, Substituent Effect on Bowl Structure, Inversion Energy, and Electron Conductivity by Higashibayashi, Shuhei, Tsuruoka, Ryoji, Soujanya, Yarasi, Purushotham, Uppula, Sastry, G Narahari, Seki, Shu, Ishikawa, Takeharu, Toyota, Shinji, Sakurai, Hidehiro

“…C3 symmetric chiral trimethylsumanene was enantioselectively synthesized through Pd-catalyzed syn-selective cyclotrimerization of an enantiomerically pure…”
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Synthesis, characterization and evaluation of porous carbon adsorbents derived from waste biomass for CO2 capture by Mallesh, Dosali, Swapna, Shobanaboyina, Rajitha, Paka, Soujanya, Yarasi, Sumana, Chenna, Lingaiah, Nakka

“…In this work, subabul wood biomass was used to prepare carbon adsorbents by physical and chemical activation methods at various carbonization temperatures. The…”
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Initial Excited-State Structural Dynamics of Uracil from Resonance Raman Spectroscopy Are Different from Those of Thymine (5-Methyluracil) by Yarasi, Soujanya, Ng, Susan, Loppnow, Glen R

“…To explore the origin of the differences in UV photochemistry of uracil (RNA) and thymine (DNA) nucleobases, we have measured the UV resonance Raman spectra of…”
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Functionalized Rutile TiO2(110) as a Sorbent To Capture CO2 through Noncovalent Interactions: A Computational Investigation by Parameswari, Akshinthala, Soujanya, Yarasi, Sastry, G. Narahari

“…The present study evaluates the CO2 adsorption capacity of functionalized rutile TiO2(110), using the density functional theory and ab initio molecular…”
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Functionalized Rutile TiO 2 (110) as a Sorbent To Capture CO 2 through Noncovalent Interactions: A Computational Investigation by Parameswari, Akshinthala, Soujanya, Yarasi, Sastry, G. Narahari

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Molecular design of porphyrin dyes for dye sensitized solar cells: A quantitative structure property relationship study by Madugula, Sita Sirisha, Yarasi, Soujanya

“…Porphyrins dyes are known as promising sensitizers for dye sensitized solar cell (DSC) devices because of their intrinsic features with maximum reported…”
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Reduced Order Machine Learning Models for Accurate Prediction of CO2 Capture in Physical Solvents by Mehtab, Vazida, Alam, Shadab, Povari, Sangeetha, Nakka, Lingaiah, Soujanya, Yarasi, Chenna, Sumana

“…CO2 sorption in physical solvents is one of the promising approaches for carbon capture from highly concentrated CO2 streams at high pressures. Identifying an…”
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Reduced Order Machine Learning Models for Accurate Prediction of CO 2 Capture in Physical Solvents by Mehtab, Vazida, Alam, Shadab, Povari, Sangeetha, Nakka, Lingaiah, Soujanya, Yarasi, Chenna, Sumana

“…CO sorption in physical solvents is one of the promising approaches for carbon capture from highly concentrated CO streams at high pressures. Identifying an…”
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Shedding Light on Benzo[d]pyrrolo[2,1‑b]thiazole-3-carbonitrile Sensitizer-Based TiO2 Photocatalysts for Enhanced Hydrogen Generation by Chanda, Nageshwarrao, Saini, Manoj Kumar, Basak, Ashok K., Soujanya, Yarasi, Bojja, Sreedhar, Pal, Ujjwal

“…In this work, we study a series of benzo­[d]­pyrrolo­[2,1-b]­thiazole-3-carbonitrile (BP) derivatives, which act as sensitizers for photocatalytic hydrogen…”
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Shedding light on small molecule coumarin dyes for efficient photocatalytic hydrogen evolution by Chanda, Nageshwarrao, Gonuguntla, Spandana, Verma, Shashi Kant, Basak, Ashok K., Soujanya, Yarasi, Ahmadipour, Mohsen, Bojja, Sreedhar, Pal, Ujjwal

“…The development of simple coumarin-based organic dyes loaded over TiO2 is found to possess great potential for efficient photocatalytic hydrogen generation…”
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Shedding Light on Benzo[ d ]pyrrolo[2,1- b ]thiazole-3-carbonitrile Sensitizer-Based TiO 2 Photocatalysts for Enhanced Hydrogen Generation by Chanda, Nageshwarrao, Saini, Manoj Kumar, Basak, Ashok K., Soujanya, Yarasi, Bojja, Sreedhar, Pal, Ujjwal

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Controlled Ru (II) & Rh (III) Catalyzed [4+2] & [4+1] Carbo‐Annulations via C−H Activation Using Sulfoxonium Ylide and Maleimide: Facile Access to Fused Benzoisoindole & Spiroindanone by Vaggu, Raju, Muraharikar, Akhila, Bhargav Kumar, Yenamareddy, Soujanya, Yarasi, Grée, René, Das, Saibal

“…Abstract A well‐ordered strategy of sulfoxonium ylides as a directing group as well as carbene source for the Ru‐catalysed [4+2] and Rh‐catalysed [4+1]…”
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Molecular design of corrole-based D-[pi]-A sensitizers for dye-sensitized solar cell applications by Srikanth, Malladi, Sastry, Garikapati Narahari, Soujanya, Yarasi

“…First principles calculations based on density functional theory (DFT) have been performed to design a new set of donor-corrole-bridge-acceptor type systems…”
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Computational Design of Functionalized Imidazolate Linkers of Zeolitic Imidazolate Frameworks for Enhanced CO2 Adsorption by Hussain, M. Althaf, Soujanya, Yarasi, Sastry, G. Narahari

“…Zeolitic imidazolate frameworks (ZIFs) represent the class of metal–organic frameworks (MOFs) that possess high porosity, large surface area, exceptional…”
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Molecular design of corrole-based D-π-A sensitizers for dye-sensitized solar cell applications by Srikanth, Malladi, Sastry, Garikapati Narahari, Soujanya, Yarasi

“…First principles calculations based on density functional theory (DFT) have been performed to design a new set of donor‐corrole‐bridge‐acceptor type systems…”
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Rational design of Ru(II)-phenanthroline complex embedded porous TiO2photocatalyst for efficient hydrogen production by Gonuguntla, Spandana, Tiwari, Amritanjali, Gopinath, Jonnalagadda, Yarasi, Soujanya, Sesha Sainath, Annadanam V., Pal, Ujjwal

“…The design of an efficient photocatalytic system with a capability of effective photon conversion for hydrogen evolution is highly challenging. Herein, we…”
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Understanding the Structural and Electronic Effect of Zr 4+ -Doped KNb(Zr)O 3 Perovskite for Enhanced Photoactivity: A Combined Experimental and Computational Study by Mondal, Indranil, Srikanth, Malladi, Srinivasu, Kancharlapalli, Soujanya, Yarasi, Pal, Ujjwal

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Identification and Characterization of the Isomeric Impurity of the Fungicide “Cyazofamid” by Kannoujia, Jyoti, Nagineni, Devendra, Rodda, Ramesh, Chilukuri, Ramesh, Babu Nanubolu, Jagadeesh, Akshinthala, Parameswari, Yarasi, Soujanya, Kantevari, Srinivas, Sripadi, Prabhakar

“…Identification and characterization of biproducts/ impurities present in agrochemicals are critical in view of their efficacy and safety towards public health…”
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