Publications

  • Chlorophyll-Induced Lamellar to Nonlamellar Phase Transitions and Dynamical Heterogeneity in Plant Thylakoid Membranes, Samapika Sahu, Renu Saini, and Ananya Debnath*, The Journal of Physical Chemistry B (invited), 2024, 128, 41, 10154–10164, doi: 10.1021/acs.jpcb.4c04164
    • Published as part of special collection on "The Dynamic Structure of the Lipid Bilayer and Its Modulation by Small Molecules".
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  • Influence of dimethyl sulfoxide on membrane fluidity under rapid supercooling, Samapika Sahu, Prasanjit Dutta, and Ananya Debnath*, Eur. Phys. J. Spec. Top. , 2024, 1-15, https://doi.org/10.1140/epjs/s11734-024-01296-y

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  • Interface Water Assists in Dimethyl Sulfoxide Crossing and Poration in Model Bilayer, Samapika Sahu, Avinash Garg, Renu Saini, and Ananya Debnath*, Langmuir (invited), 2024, 40, 11, 5764–5775, https://doi.org/10.1021/acs.langmuir.3c03498
    • Published as part of Langmuir virtual special issue "2023 Pioneers in Applied and Fundamental Interfacial Chemistry: Janet A. W. Elliott".
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  • Aspirin-Induced Ordering and Faster Dynamics of a Cationic Bilayer for Drug Encapsulation, Samapika Sahu, Harish Srinivasan, Sankalp E. Jadhav, Veerendra K. Sharma*, and Ananya Debnath*, Langmuir , 2023, 39, 46, 16432-16443, https://doi.org/10.1021/acs.langmuir.3c02241
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  • Thylakoid Composition Facilitates Chlorophyll a Dimerization through Stronger Interlipid Interactions, Renu Saini, and Ananya Debnath*, J. Phys. Chem. B , 2023, 127, 42, 9082–9094, https://doi.org/10.1021/acs.jpcb.3c04942
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  • Aggregation of chlorophylls on plant thylakoid membranes using coarse-grained simulations, Renu Saini, Suleman Jalilahmad Ansari and Ananya Debnath*, Phys. Chem. Chem. Phys. , 2023,25, 11356-11367, DOI:https://doi.org/10.1039/D3CP00037K
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  • Relaxation time scales of interfacial water upon fluid to ripple to gel phase transitions of bilayers, Sheeba Malik, Smarajit Karmakar, and Ananya Debnath*, J. Chem. Phys. 158, (2023); doi: 10.1063/5.0138681
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  • Quantifying dynamical heterogeneity length scales of interface water across model membrane phase transitions, Sheeba Malik, Smarajit Karmakar, and Ananya Debnath*, J. Chem. Phys. as Communication 158, 091103 (2023); https://doi.org/10.1063/5.0137727
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  • Structural changes of interfacial water upon fluid-ripple-gel phase transitions of bilayers, Sheeba Malik, Ananya Debnath*, Chem. Phys. Let., 799, 139613, (2022)
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  • Development of a hydrolase mimicking peptide amphiphile and its immobilization on silica surface for stereoselective and enhanced catalysis, Payel Dowari, Malay Kumar Baroi, Tanushree Das, Basab Kanti Dasa, Saurav Das, Sumit Chowdhuri, Avinash Garg, Ananya Debnath and Debapratim Das*, J Colloid and Interface Science, , 618, 98-110, (2022),https://doi.org/10.1016/j.jcis.2022.03.076
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  • Dehydration induced dynamical heterogeneity and ordering mechanism of lipid bilayers, Sheeba Malik and Ananya Debnath*, J. Chem. Phys. 154, 174904 (2021), https://doi.org/10.1063/5.0044614
    • Invited article in the Special Collection in Honor of Women in Chemical Physics and Physical Chemistry Monomer_aggregate
  • A Comparative Study on DMSO-Induced Modulation of the Structural and Dynamical Properties of Model Bilayer Membranes, Sangita Kundu, Sheeba Malik, Meghna Ghosh, Sourav Nandi, Arghajit Pyne, Ananya Debnath*, and Nilmoni Sarkar*Langmuir, 2021, 37, 6, 2065–2078.
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  • Interactions Determining the Structural Integrity of the Trimer of Plant Light Harvesting Complex in Lipid Membranes, Renu Saini, Christoph Globisch, Leon Franke, Christine Peter and Ananya Debnath*,Journal of Membrane Biology, 2021 Jan 11. doi: 10.1007/s00232-020-00162-x
    • Invited article on the special issue on Molecular Interplay at the Membrane. Monomer_aggregate

  • Modulation of Membrane Fluidity to Control Interfacial Water Structure and Dynamics in Saturated and Unsaturated Phospholipid Vesicles, Dipankar Mondal, Sheeba Malik, Pavel Banerjee, Niloy Kundu, Ananya Debnath* and Nilmoni Sarkar*, Langmuir, 2020, 36, 41, 12423–12434, https://doi.org/10.1021/acs.langmuir.0c02736.
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  • Dynamic coupling of hydration layer to a fluid phospholipid membrane: Intermittency and multiple time-scale relaxations", Abhinav Srivastava#, Sheeba Malik#, Smarajit Karmakar and Ananya Debnath*, Physical Chemistry Chemical Physics, 2020, 22, 21158-21168, doi ="10.1039/D0CP02803G", #equal first author.
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  • Asymmetry and Rippling in Mixed Surfactant Bilayers from All-Atom and Coarse-Grained Simulations: Interdigitation and Per Chain Entropy, Arpita Srivastava and Ananya Debnath*, , The Journal of Physical Chemistry B, 2020, 124, 29, 6420–6436. https://doi.org/10.1021/acs.jpcb.0c03761
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  • Molecular dynamics simulations of a stacked π–conjugated soft material: binding energy and preferential geometry for self-assembly, Arpita Srivastava, Avinash Garg, Debapratim Das and Ananya Debnath*, Invited article on Bulletin of Materials Science for the Thematic issue on Soft Materials, 2020, 43, 181, 1-8. https://doi.org/10.1007/s12034-020-2053-4
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  • Quantification of spatio-temporal scales of dynamical heterogeneity of water near lipid membranes above supercooling, Abhinav Srivatsava, Smarajit Karmakar and Ananya Debnath*, Soft Matter, 2019, 15, 9805 - 9815, DOI: 10.1039/C9SM01725A.
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  • Heterogeneity in structure and dynamics of water near bilayers using TIP3P and TIP4P/2005 water models, Abhinav Srivastava, Sheeba Malik and Ananya Debnath*, Chemical Physics, 525, 2019, 110396.
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  • Unusual confinement properties of a water insoluble small peptide hydrogel, Nilotpal Singha, Arpita Srivastava, Bapan Pramanik, Sahnawaz Ahmed, Payel Dowari, Sumit Chowdhuri, Basab Kanti Das, Ananya Debnath* and Debapratim Das*, Chemical Science, 2019,10, 5920-5928.
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  • Hydration dynamics of a lipid membrane: Hydrogen bond networks and lipid-lipid associations, Abhinav Srivastava and Ananya Debnath*, The Journal of Chemical Physics (2018), 094901 (2018); https://doi.org/10.1063/1.5011803.
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  • Solvent Assisted Tuning of Morphology of a Peptide-Perylenediimide Conjugate: Helical Fibers to Nano-Rings and their Differential Semiconductivity, Sahnawaz Ahmed, Bapan Pramanik, K. N. Amba Sankar, Abhinav Srivastava, Nilotpal Singha, Payel Dowari, Arpita Srivastava, Kallol Mohanta, Ananya Debnath, Debapratim Das*, Scientific Reports (2017), 7, Article number: 9485, doi:10.1038/s41598-017-09730-z.
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  • Trigonella seed extract ameliorates inflammation via regulation of inflammasome adaptor protein, ASC, Nidhi Sharma, Samyuktha Suresh, Ananya Debnath, Sushmita Jha*, Frontiers In Bioscience, Elite, (2017), 9, 246-257.
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  • Influence of water concentrations on the phase transformation of a model surfactant/co-surfactant/water system, Raju Lunkad, Arpita Srivastava, Ananya Debnath*, Chemical Physics, (2017) 483–484, 103–111.
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  • Derivation of coarse-grained simulation models of chlorophyll molecules in lipid bilayers for applications in light harvesting systems Ananya Debnath*, Sabine Wiegand, Harald Paulsen, Kurt Kremer, Christine Peter, Physical Chemistry Chemical Physics, (2015), 17, 22054-22063.
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  • Structure and Dynamics of Phospholipid Nanodiscs from All-Atom and Coarse-Grained Simulations Ananya Debnath* and Lars V. Schaefer*, The Journal of Physical Chemistry B, 2015, 119 (23), pp 6991–7002.
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  • Laterally structured ripple and square phases with one and three dimensional thickness modulations in a model bilayer system - Ananya Debnath, Foram M. Thakkar, Prabal K. Maiti, V. Kumaran and K. G. Ayappa*, Soft Matter, (2014), 10, 7630-7637.
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  • Diffusion in an elastic medium: A model for macromolecule transport across the nuclear pore complex - Rajarshi Chakrabarti, Ananya Debnath, K.L. Sebastian*, Physica A , 404, 65–78 (2014).
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  • Simulation of Influence of Bilayer Melting on Dynamics and Thermodynamics of Interfacial Water - Ananya Debnath*, K. G. Ayappa* and Prabal K. Maiti*, Physical Review Letter, 110, 018303 (2013).
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  • Barrier crossing in one and three dimensions by a long chain - Ananya Debnath*, Alok K R Paul and K L Sebastian, J. Stat. Mech. Theory & Exp., P11024 (2010).
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  • Dynamics and Entropy of Water in the Hydration layer of Lipid Bilayer - Ananya Debnath, Biswaroop Mukherjee, Prabal Maiti, Ganapathy Ayappa*, and S. T. Lin , Journal of Chemical Physics , 133, 174704 (2010). Selected for Virtual Journal of Biological Physics Research, November 15, 2010 Issue.
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  • The influence of Bilayer Composition on the Gel to Liquid Crystalline Transition - Ananya Debnath, Ganapathy Ayappa*, V. Kumaran and Prabal Maiti, Journal of Phyical Chemistry B , 113 (31), 10660 (2009).
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  • Barrier Crossing by a Star Polymer - Ananya Debnath and K. L. Sebastian*, Physical Review E, 76, 051803 (2007). Selected for Virtual Journal of Biological Physics Research, November 15, 2007.
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  • Polymer in a double well: dynamics of translocation of short chains over a barrier - K. L. Sebastian* and Ananya Debnath, Journal of Physics: Condensed Matter 18, S283-S296 (2006).
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  • Rate Processes with Dynamical Disorder: A Direct Variational Approach - Ananya Debnath, Rajarshi Chakrabarti and K. L. Sebastian*, Journal of Chemical Physics , 124 (20) 204111 (2006).
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    Conference paper

  • Cylindrical to Spherical Shape transformations of Micelles using All-Atom and Coarse-Grained Molecular Dy- namics Simulations- Arpita Srivastava, Ananya Debnath*, AIP Conference Proceedings, 2142, 130004 (2019); https://doi.org/10.1063/1.5122512.
  • Inducing the Two-Dimensional Ripple Phase In Surfactant Bilayer Membranes - Ananya Debnath, Foram M. Thakkar, Prabal K. Maiti, V. Kumaran and K. G. Ayappa, 10, 2011, Proceedings AIChE Annual Meeting.

    • *Corresponding author