Upendra Natarajan - Related publications
Affiliations: | 1994-1998 | University of Akron, Akron, OH, United States | |
| 2000-2006 | CSIR-National Chemical Laboratory, Pune, India | ||
| 2007- | IIT Madras |
Area:
Nanochemistry, Polymer Chemistry, Chemical EngineeringWebsite:
http://www.che.iitm.ac.in/~unatarajan/
NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
50 most relevant papers in past 60 days:
50 most relevant papers in past 60 days:
| Year | Citation | Score | |
|---|---|---|---|
| 2021 | Yadav AK, Bandyopadhyay P, Urbic T, Dill KA. Analytical 2-Dimensional Model of Nonpolar and Ionic Solvation in Water. The Journal of Physical Chemistry. B. PMID 33539097 DOI: 10.1021/acs.jpcb.0c10329 | ||
| 2021 | Neeman EM, Huet TR. Conformational changes in hydroxyl functional groups upon hydration: the case study of fenchol. Physical Chemistry Chemical Physics : Pccp. 23: 2179-2185. PMID 33438689 DOI: 10.1039/d0cp06042a | ||
| 2021 | Sarkar S, Maity A, Chakrabarti R. Microscopic structural features of water in aqueous-reline mixtures of varying compositions. Physical Chemistry Chemical Physics : Pccp. PMID 33532810 DOI: 10.1039/d0cp05341d | ||
| 2021 | Xie F, Mahendiran S, Seifert NA, Xu Y. Modifying conformational distribution of chiral tetrahydro-2-furoic acid through its interaction with water: a rotational spectroscopic and theoretical investigation. Physical Chemistry Chemical Physics : Pccp. PMID 33533340 DOI: 10.1039/d0cp06265k | ||
| 2021 | Contreras R, Lodeiro L, Rozas-Castro N, Ormazábal-Toledo R. On the role of water in the hydrogen bond network in DESs: an molecular dynamics and quantum mechanical study on the urea-betaine system. Physical Chemistry Chemical Physics : Pccp. PMID 33439167 DOI: 10.1039/d0cp06078j | ||
| 2021 | Nguyen MTH, Tichacek O, Martinez-Seara H, Mason PE, Jungwirth P. Resolving the Equal Number Density Puzzle: Molecular Picture from Simulations of LiCl(aq) and NaCl(aq). The Journal of Physical Chemistry. B. PMID 33534574 DOI: 10.1021/acs.jpcb.0c10599 | ||
| 2021 | Gupta AR, Yadav A, Sharma S. Scavenging fluoride from the aqueous system with porous organometallic three-dimensional architecture: An emerging adsorbent. Environmental Science and Pollution Research International. PMID 33392992 DOI: 10.1007/s11356-020-11916-4 | ||
| 2021 | Chang TM, Billeck SE. Structure, Molecular Interactions, and Dynamics of Aqueous [BMIM][BF] Mixtures: A Molecular Dynamics Study. The Journal of Physical Chemistry. B. PMID 33497566 DOI: 10.1021/acs.jpcb.0c09731 | ||
| 2021 | Zhao H, Tan Y, Zhang R, Zhao Y, Zhang C, Zhang L. Anion-water hydrogen bond vibration revealed by the terahertz Kerr effect. Optics Letters. 46: 230-233. PMID 33448994 DOI: 10.1364/OL.409849 | ||
| 2021 | Kim S, Kim J, Lee D. Making Waxy Salts in Water: Synthetic Control of Hydrophobicity for Anion-Induced and Aggregation-Enhanced Light Emission. Angewandte Chemie (International Ed. in English). PMID 33619856 DOI: 10.1002/anie.202100729 | ||
| 2021 | Patel LA, Yoon TJ, Currier RP, Maerzke KA. NaCl aggregation in water at elevated temperatures and pressures: Comparison of classical force fields. The Journal of Chemical Physics. 154: 064503. PMID 33588550 DOI: 10.1063/5.0030962 | ||
| 2021 | Roda A, Santos F, Chua YZ, Kumar A, Do HT, Paiva A, Duarte ARC, Held C. Unravelling the nature of citric acid:L-arginine:water mixtures: the bifunctional role of water. Physical Chemistry Chemical Physics : Pccp. PMID 33427255 DOI: 10.1039/d0cp04992a | ||
| 2021 | Cho HJ, Kim KS, Kim H, Kim T, Malyutin AG, Rees DC, Yoo BK, Song C. Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone. Acs Applied Materials & Interfaces. PMID 33544590 DOI: 10.1021/acsami.0c21248 | ||
| 2021 | Pontoni L, Roviello V, Race M, Savignano L, van Hullebusch ED, Esposito G, Pirozzi F, Fabbricino M. Supramolecular aggregation of colloidal natural organic matter masks priority pollutants released in water from peat soil. Environmental Research. 110761. PMID 33524333 DOI: 10.1016/j.envres.2021.110761 | ||
| 2021 | López-Bueno C, Herreros-Lucas C, Suárez-Rodríguez M, Bittermann M, Amigo A, Woutersen S, Gimenez-Lopez M, Rivadulla F. A new type of supramolecular fluid based on H2O-alkylammonium/phosphonium solutions. Angewandte Chemie (International Ed. in English). PMID 33416197 DOI: 10.1002/anie.202015800 | ||
| 2021 | Mariano M, Souza SF, Borges AC, do Nascimento DM, Bernardes JS. Tailoring strength of nanocellulose foams by electrostatic complexation. Carbohydrate Polymers. 256: 117547. PMID 33483055 DOI: 10.1016/j.carbpol.2020.117547 | ||
| 2021 | Qi C, Zhu Z, Wang C, Zheng Y. Anomalously Low Dielectric Constant of Ordered Interfacial Water. The Journal of Physical Chemistry Letters. 10668-10674. PMID 33439661 DOI: 10.1021/acs.jpclett.0c03299 | ||
| 2021 | Li M, Chen L, Gui L, Cao S, Liu D, Zhao G, Ding M, Yan J, Wang D. Born-Oppenheimer molecular dynamics simulations on structures of high-density and low-density water: a comparison of the SCAN meta-GGA and PBE GGA functionals. Physical Chemistry Chemical Physics : Pccp. PMID 33447832 DOI: 10.1039/d0cp05707j | ||
| 2021 | Fan T, Yan Z, Yang C, Qiu S, Peng X, Zhang J, Hu L, Chen L. Preparation of menthol-based hydrophobic deep eutectic solvents for the extraction of triphenylmethane dyes: quantitative properties and extraction mechanism. The Analyst. PMID 33507168 DOI: 10.1039/d0an01864c | ||
| 2021 | Yen TH, Lin CH, Chen YL. Effects of Gas Adsorption and Surface Conditions on Interfacial Nanobubbles. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 33595315 DOI: 10.1021/acs.langmuir.0c03511 | ||
| 2021 | Dumlu H, Marquardt A, Zirdehi EM, Varnik F, Shen Y, Neuking K, Eggeler G. A Mechanical Analysis of Chemically Stimulated Linear Shape Memory Polymer Actuation. Materials (Basel, Switzerland). 14. PMID 33498441 DOI: 10.3390/ma14030481 | ||
| 2021 | Roy S, Mondal JA. "Breaking" and "Making" of Water Structure at the Air/Water-Electrolyte (NaXO; X = Cl, Br, I) Interface. The Journal of Physical Chemistry Letters. 1955-1960. PMID 33591757 DOI: 10.1021/acs.jpclett.0c03827 | ||
| 2021 | Sun M, Yang Q, Zhang Y, Wang P, Hou D, Liu Q, Zhang J, Zhang J. Structure, dynamics and transport behavior of migrating corrosion inhibitors on the surface of calcium silicate hydrate: a molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. PMID 33506236 DOI: 10.1039/d0cp05211f | ||
| 2021 | Li X, Silge S, Saal A, Kircher G, Koynov K, Berger R, Butt HJ. Adaptation of a Styrene-Acrylic Acid Copolymer Surface to Water. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 33439030 DOI: 10.1021/acs.langmuir.0c03226 | ||
| 2021 | Momeni MR, Zhang Z, Dell'Angelo D, Shakib FA. Gauging van der Waals interactions in aqueous solutions of 2D MOFs: when water likes organic linkers more than open-metal sites. Physical Chemistry Chemical Physics : Pccp. 23: 3135-3143. PMID 33491712 DOI: 10.1039/d0cp05923d | ||
| 2021 | Pal J, Patla A, Subramanian R. Thermodynamic properties of forming methanol-water and ethanol-water clusters at various temperatures and pressures and implications for atmospheric chemistry: A DFT study. Chemosphere. 272: 129846. PMID 33582505 DOI: 10.1016/j.chemosphere.2021.129846 | ||
| 2021 | Müller P, Bonthuis DJ, Miller R, Schneck E. Ionic Surfactants at Air/Water and Oil/Water Interfaces: A Comparison Based on Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. 125: 406-415. PMID 33400514 DOI: 10.1021/acs.jpcb.0c08615 | ||
| 2021 | Li J, Joseph T, Ghorbani-Asl M, Kolekar S, Krasheninnikov AV, Batzill M. Mirror twin boundaries in MoSe monolayers as one dimensional nanotemplates for selective water adsorption. Nanoscale. PMID 33393546 DOI: 10.1039/d0nr08345c | ||
| 2021 | Fajardo-Rojas F, Alvarez Solano OA, Samaniuk JR, Pradilla D. Deviation from Equilibrium Thermodynamics of an Asphaltene Model Compound during Compression-Expansion Experiments at Fluid-Fluid Interfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 33497231 DOI: 10.1021/acs.langmuir.0c03151 | ||
| 2021 | Gu S, Xu Z, Yang X. Molecular Insight into the Adsorption Thermodynamics and Interfacial Behavior of GOs at the Liquid-Liquid Interface. The Journal of Physical Chemistry. B. PMID 33566621 DOI: 10.1021/acs.jpcb.0c10118 | ||
| 2021 | Groves TS, Perez-Martinez CS, Lhermerout R, Perkin S. Surface Forces and Structure in a Water-in-Salt Electrolyte. The Journal of Physical Chemistry Letters. 1702-1707. PMID 33560858 DOI: 10.1021/acs.jpclett.0c03718 | ||
| 2021 | To T, Sakamoto Y, Sadakane K, Matsugami M, Takamuku T. Aggregation of the Dipeptide Leu-Gly in Alcohol-Water Binary Solvents Elucidated from the Solvation Structure for Each Moiety. The Journal of Physical Chemistry. B. PMID 33395527 DOI: 10.1021/acs.jpcb.0c08809 | ||
| 2021 | Zhang Y, Hong X, Cao XM, Huang XQ, Hu B, Ding SY, Lin H. Functional Porous Organic Polymers with Conjugated Triaryl Triazine as the Core for Superfast Adsorption Removal of Organic Dyes. Acs Applied Materials & Interfaces. PMID 33517654 DOI: 10.1021/acsami.0c21374 | ||
| 2021 | Han B, Isborn CM, Shi L. Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models. Journal of Chemical Theory and Computation. PMID 33405925 DOI: 10.1021/acs.jctc.0c01102 | ||
| 2021 | Malik A, Kashyap HK. Heterogeneity in hydrophobic deep eutectic solvents: SAXS prepeak and local environments. Physical Chemistry Chemical Physics : Pccp. PMID 33543176 DOI: 10.1039/d0cp05407k | ||
| 2021 | Xie Z, Li Z, Li J, Kou J, Yao J, Fan J. Electric field-induced gas dissolving in aqueous solutions. The Journal of Chemical Physics. 154: 024705. PMID 33445907 DOI: 10.1063/5.0037387 | ||
| 2021 | Friesen S, Fedotova MV, Kruchinin SE, Buchner R. Hydration and dynamics of L-glutamate ion in aqueous solution. Physical Chemistry Chemical Physics : Pccp. PMID 33409510 DOI: 10.1039/d0cp05489e | ||
| 2021 | Rozsa VF, Galli G. Molecular Polarizabilities in Aqueous Systems from First-Principles. The Journal of Physical Chemistry. B. PMID 33587849 DOI: 10.1021/acs.jpcb.0c10732 | ||
| 2021 | Shiery RC, Fulton JL, Balasubramanian M, Nguyen MT, Lu JB, Li J, Rousseau R, Glezakou VA, Cantu DC. Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy. Inorganic Chemistry. PMID 33544594 DOI: 10.1021/acs.inorgchem.0c03438 | ||
| 2021 | Guo J, Tucker ZD, Wang Y, Ashfeld BL, Luo T. Ionic liquid enables highly efficient low temperature desalination by directional solvent extraction. Nature Communications. 12: 437. PMID 33469033 DOI: 10.1038/s41467-020-20706-y | ||
| 2021 | Tandiana R, Brun E, Sicard-Roselli C, Domin D, Van-Oanh NT, Clavaguéra C. Probing the structural properties of the water solvation shell around gold nanoparticles: A computational study. The Journal of Chemical Physics. 154: 044706. PMID 33514087 DOI: 10.1063/5.0037551 | ||
| 2021 | Zhang C, Li X, Wang S, Wang J, Zhu S, Guan S. Does Expanding or Contracting MgO Lattice Really Help with Corrosion Resistance of Mg Surface: Insights from Molecular Dynamics Simulations. Acs Omega. 6: 1099-1107. PMID 33490769 DOI: 10.1021/acsomega.0c03755 | ||
| 2021 | Dandekar R, Ardekani AM. Monoclonal Antibody Aggregation near Silicone Oil-Water Interfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 37: 1386-1398. PMID 33478225 DOI: 10.1021/acs.langmuir.0c02785 | ||
| 2021 | Takeda J, Iwao Y, Karashima M, Yamamoto K, Ikeda Y. Structural Evaluation of the Choline and Geranic Acid/Water Complex by SAXS and NMR Analyses. Acs Biomaterials Science & Engineering. PMID 33393288 DOI: 10.1021/acsbiomaterials.0c01324 | ||
| 2021 | Hu S, Vo L, Monteiro D, Bodnar S, Prince P, Koh CA. Structural Effects of Gas Hydrate Antiagglomerant Molecules on Interfacial Interparticle Force Interactions. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 33507761 DOI: 10.1021/acs.langmuir.0c02503 | ||
| 2021 | Yan JN, Du YN, Jiang XY, Han JR, Pan JF, Wu HT. Intermolecular interaction in the hybrid gel of scallop (Patinopecten yessoensis) male gonad hydrolysates and κ-carrageenan. Journal of Food Science. PMID 33565634 DOI: 10.1111/1750-3841.15618 | ||
| 2021 | Shen Y, Ni WX, Li B. Porous Organic Polymer Synthesized by Green Diazo-Coupling Reaction for Adsorptive Removal of Methylene Blue. Acs Omega. 6: 3202-3208. PMID 33553936 DOI: 10.1021/acsomega.0c05634 | ||
| 2021 | Li M, Zhuang B, Lu Y, An L, Wang ZG. Salt-Induced Liquid-Liquid Phase Separation: Combined Experimental and Theoretical Investigation of Water-Acetonitrile-Salt Mixtures. Journal of the American Chemical Society. 143: 773-784. PMID 33416302 DOI: 10.1021/jacs.0c09420 | ||
| 2021 | Kim KI, Lawler R, Moon HJ, Narayanan P, Sakwa-Novak MA, Jones CW, Jang SS. Distribution and Transport of CO in Hydrated Hyperbranched Poly(ethylenimine) Membranes: A Molecular Dynamics Simulation Approach. Acs Omega. 6: 3390-3398. PMID 33553957 DOI: 10.1021/acsomega.0c05923 | ||
| 2021 | Mohr S, Hoevelmann F, Wylde J, Schelero N, Sarria J, Purkayastha N, Ward Z, Navarro Acero P, Michalis VK. Ranking the Efficiency of Gas Hydrate Anti-agglomerants through Molecular Dynamic Simulations. The Journal of Physical Chemistry. B. 125: 1487-1502. PMID 33529037 DOI: 10.1021/acs.jpcb.0c08969 |