Publications-2019

Joël Tchoufag, Pushpita Ghosh, Connor B. Pogue, Beiyan Nan, and Kranthi K. Mandadapu,"Mechanisms for bacterial gliding motility on soft substrates" pnas, 2019/11/21/1914678116

Sudeshna Patra, Pallavi Thakur, Bhaskar Soman, Anand B. Puthirath, Pulickel M. Ajayan, Santosh Mogurampelly, V. Karthik Chethan, and T. N. Narayanan,"Mechanistic insight into the improved Li ion conductivity of solid polymer electrolytes" RSC Advances,2019,9, 38646-38657

Prachi Bisht and Mustansir Barma,"Interface growth driven by a single active particle" Phys. Rev. E 100, 052120 (2019)

Pankaj Popli, Sayantani Kayal, Peter Sollich, and Surajit Sengupta,"Exploring the link between crystal defects and non-affine displacement fluctuations" Phys. Rev. E 100, 033002 (2019)

N. Shankaraiah, Surajit Sengupta and Gautam I. Menon,"Orientational correlations in fluids with quenched disorder" J. Chem. Phys. 151, 124501 (2019)

JK Koneru, X Zhu, J Mondal,"Quantitative Assessment of the Conformational Heterogeneity in Amylose across Force Fields"Journal of Chemical Theory and Computation 15 (11), 6203-6212 (2019)

M Mukherjee, J Mondal,"Osmolyte-Induced Macromolecular Aggregation Is Length-Scale Dependent"The Journal of Physical Chemistry B 123 (41), 8697-8703 (2019)

Pushpita Ghosh,"Emergent spatiotemporal instabilities in reactive spatially extended systems by thermodiffusion"10.1103/PhysRevE.100.042217

Bhanu Prasad Bhowmik, Pinaki Chaudhuri, and Smarajit Karmakar,"Effect of pinning on the yielding transition of amorphous solids" Physical Review Letters (Vol. 123, No. 18)

Anku Guha, Sreekanth Narayanru, Nisheal M. Kaley, D. Krishna Rao, Jagannath Mondal and T. N. Narayanan,"Mechanistic Insight into High Yield Electrochemical Nitrogen Reduction to Ammonia using Lithium Ions"Materials Today Communications

Shauri Chakraborty, Sakuntala Chatterjee and Mustansir Barma, "Dynamics of coupled modes for sliding particles on a fluctuating landscape "Phys. Rev. E 100.042117 (2019)

Sudeshna Patra, Munnaiah Yeddalla, Piyush Daga, and T. N. Narayanan,, "Anisotropic Mechanical Responses of Poly(ethylene oxide) based Lithium Ions Containing Solid Polymer Electrolytes, "Macromolecular Chemistry and Physics

J. K. Koneru, S. Sinha* and J. Mondal*, "In Silico Re-Optimization of Binding Affinity and Drug-Resistance Circumvention Ability in Kinase Inhibitors:Case study with RL-45 and Src kinase, " J. Phys. Chem. B, 123, 6664 (2019)

B. Sarkar, Z. Siddiqui, P. K. Nguyen, N. Dube, W. Fu, S. Park, S. Jaisinghani, R. Paul, S. D. Kozuch, D. Deng, P. Montoro,M. Li, D. Sabatino,D. S. Perlin,W. Zhang, J. Mondal and V. A. Kumar, "Membrane-Disrupting Nanofibrous Peptide Hydrogels ," ACS Biomater. Sci. Eng, 5,4657(2019)

Mukul G. Jain, G. Rajalakshmi, V. Agarwal, P. K. Madhu, K. R. Mote. "On the direct relation between REDOR and DIPSHIFT experiments in solid-state NMR.,"J. Magn. Reson.

Gumpena R, Lountos GT, Raran-Kurussi S, Tropea JE, Cherry S, Waugh DS., "Crystal structure of the human dual specificity phosphatase 1 catalytic domain.,"Protein Sci. 2018 Feb;27(2):561-567.

Lountos GT, Raran-Kurussi S, Zhao BM, Dyas BK, Burke TR Jr, Ulrich RG, Waugh DS., "High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.,"Acta Crystallogr D Struct Biol. 2018 Oct 1;74(Pt 10):1015-1026.

Rahul Sharma, Krishna Rani Sahoo, Pankaj Kumar Rastogi, Ravi K. Biroju, Wolfgang Theis, and T. N. Narayanan, "On the Synthesis of Morphology Controlled Transition Metal Dichalcogenides via CVD for Electrochemical Hydrogen Generation," Physica Status Solidi (Rapid Research Letters) 1900257 (2019).

Sehmus Ozden, Sumit Bawari, Soumya Vinod, Ulises Martinez, Sandhya Susarla, Claudia Narvaez, Jarin Joyner, Chandra Sekhar Tiwari, T. N. Narayanan, P. M. Ajayan, "Interface and Defect Engineering of Hybrid Nanostructures Toward an Efficient HER Catalyst," Nanoscale 11, 12489-12496 (2019).

Sumit Bawari, Sourav Pal, Shubhadeep Pal, Jagannath Mondal, and T. N. Narayanan, "Enhanced Photo-Electrocatalytic Hydrogen Generation in Graphene/hBN van der Waals Structures" The Journal of Physical Chemistry C, DOI: 10.1021/acs.jpcc.9b01996 (2019) .

T. J. Vineeth Francis, Rashmi Ranjan Suna, P. K. Madhu, Nirmal K. Viswanathan, G. Rajalakshmi, "Ultra-sensitive single-beam atom-optical magnetometer using weak measurement method" AIP Advances, 9, 065113, 2019 .

Mrinmoy Mukherjee, Jagannath Mondal, and Smarajit Karmakar, "Role of α and β relaxations in collapsing dynamics of a polymer chain in supercooled glass-forming liquid" J. Chem. Phys. 150, 114503 (2019) .

Mustansir Barma, Satya N Majumdar and David Mukamel, "Fluctuation-dominated phase ordering at a mixed order transition" J. Phys. A: Math. Theor. 52, 254001 (2019).

Mrinmoy Mukherjee and Jagannath Mondal, "Osmolyte induced collapse of a charged macromolecule" J.Phys.Chem. B, 123,4636-4644 (2019).

Shubhadeep Pal, Sumit Bawari, Vineesh T. V., Naresh Shyaga, and T. N. Narayanan "Selenium Coupled Reduced Graphene Oxide as Single Atom Site Direct Four Electron Oxygen Reduction Reaction Catalyst," ACS Applied Energy Materials 2019, 2, 3624−3632.

E. Kupce, K. R. Mote, P. K. Madhu, "Experiments with direct detection of multiple FIDs," J. Magn. Reson. 304, 16-34, 2019.

M. G. Jain, K. R. Mote, P. K. Madhu, "NMR crystallography at fast magic-angle spinning frequencies: Application of novel recoupling methods," Crystals, 9,231, 2019

Suchetan Pal, Angana Ray, Chrysafis Andreou, Yadong Zhou, Tatini Rakshit, Marek Wlodarczyk, Masatomo Maeda, Ricardo Toledo-Crow, Naxhije Berisha, Jiang Yang, Hsiao-Ting Hsu, Anton Oseledchyk, Jagannath Mondal, Shengli Zou and Moritz F. Kircher, "DNA-enabled rational design of fluorescence-Raman bimodal nanoprobes for cancer imaging and therapy," Nature Communications volume 10, Article number: 1926 (2019)

Kshama Sharma, Asif Equbal, Niels Chr. Nielsen, and P. K. Madhu, "A unified heteronuclear decoupling picture in solid-state NMR under low radio-frequency amplitude and fast magic-angle-spinning frequency regime," J. Chem. Phys. 150, 144201 (2019)

Rakesh Chatterjee, Nimrod Segall, Carl Merrigan, Kabir Ramola, Bulbul Chakraborty, and Yair Shokef, "Motion of active tracer in a lattice gas with cross-shaped particles," J. Chem. Phys. 150, 144508 (2019).

Rutvij Bhavsar and Raghunathan Ramakrishnan, "Machine learning modeling of Wigner intracule functionals for two electrons in one-dimension," J. Chem. Phys. 150, 144114 (1-9), 2019.

M. G. Jain, K. R. Mote, J. Hellwagner, G. Rajalakshmi, M. Ernst, P. K. Madhu, V. Agarwal, "Measuring strong one-bond dipolar couplings using REDOR in magic-angle spinning solid-state NMR," J. Chem. Phys. 150, 134201, 2019.

Soorya. P. N, Pallavi Thakur, Aravind Puthirath Balan, Asha Ann Abraham, Femi Mathew, Munaiah Yeddala, Thoufeeq S, Chandrasekhar Tiwary, Senoy Thomas, T. N. Narayanan , P. M. Ajayan, and M. R. Anantharaman, "Two-Dimensional Amorphous Cr2O3 Modified Metallic Electrodes for Hydrogen Evolution Reaction," Physica Status Solidi (Rapid Research Letters) 1900025 (2019).

Sabyasachi Chakraborty, Prakriti Kayastha, and Raghunathan Ramakrishnan , "The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling," J. Chem. Phys. 150, 114106 (1-14), 2019.

P. K. Rastogi, Krishna Rani Sahoo, Pallavi Thakur, Rahul Sharma, Sumit Bawari, Ramakrishna Podila, and and T. N. Narayanan, "Graphene-hBN non-van der Waals Vertical Heterostructures for Four Electron Oxygen Reduction Reaction," Physical Chemistry Chemical Physics , 21, 3942-3953 (2019)

Anjana R. Kammath, Raghunathan Ramakrishnan, "Exact separation of radial and angular correlation energies in two-electron atoms," Chem. Phys. Lett. 720, 93-96, 2019.

P. Bielytskyi, D. Grasing, S. Zahn, K.R Mote, A. Alia, P. K. Madhu, J.Matysik "Assignment of NMR resonances of protons covalently bound to photochemically active cofactors in photosynthetic reaction centres by 13C-1H photo-CIDNP MAS-J-HMQC experiment," J. Magn. Reson. 298, 64-76, 2019.