Our cavitands in other hands

Competitive Binding of Organic Dyes between Cucurbiturils and Octa Acid, Gupta, Shipra; Zhao, Yaopeng; Varadharajan, Ramkumar; Ramamurthy, V., ACS Omega 2018, 3(5), 5083-5091 DOI: 10.1021/acsomega.8b00433

 

Understanding the Complexation of aliphatic and aromatic acids guests with octa acid, Choudhury, Rajib; Ramamurthy, V., Journal of Physical Organic Chemistry 2018, 31(5), n/a DOI: 10.1002/poc.3795

 

Host-guest interactions between octane acid and cations/nucleobases, Chakraborty, Debdutta; Chattaraj, Pratim Kumar, Journal of Computational Chemistry 2018, 39(3), 161-175 DOI: 10.1002/jcc.25097

 

Volume Conserving Geometric Isomerization of Encapsulated Azobenzenes in Ground and Excited States and as Radical Ion, Mohan, Raj; Ramamurthy, V., Organic Letters 2017, 19(22), 6116-6119 DOI: 10.1021/acs.orglett.7b02963

 

Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations, Steinmann, Casper; Olsson, Martin A.; Ryde, Ulf, Journal of Chemical Theory and Computation 2017, 14(6), 3228-3237 DOI: 10.1021/acs.jctc.8b00081

 

Comparison of QM/MM Methods to Obtain Ligand-Binding Free Energies, Olsson, Martin A.; Ryde, Ulf, Journal of Chemical Theory and Computation 2017, 13(5), 2245-2253 DOI: 10.1021/acs.jctc.6b01217

 

Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T), Caldararu, Octav; Olsson, Martin A.; Riplinger, Christoph; Neese, Frank; Ryde, Ulf, Journal of Computer Aided Molecular Design 2017, 31(1), 87-106 DOI: 10.1007/s10822-016-9957-5

 

Supramolecular self-assembly of water-soluble cavitands: investigated by molecular dynamics simulation, Cendejas, Kassandra; Parker, Hope E.; Molina, Dennis; Choudhury, Rajib, Journal of Inclusion Phenomena and Macrocyclic Chemistry 2017, 89(1-2), 199-205 DOI: 10.1007/s10847-017-0750-4

 

Ultrafast electron transfer from upper excited state of encapsulated azulenes to acceptors across an organic molecular wall, Raj, A. Mohan; Porel, Mintu; Mukherjee, Puspal; Ma, Xiuyuan; Choudhury, Rajib; Galoppini, Elena; Sen, Pratik; Ramamurthy, V., Journal of Physical Chemistry C 2017, 121(37), 20205-20216 DOI: 10.1021/acs.jpcc.7b07260

 

Photoinduced electron transfer across an organic molecular wall: octane acid encapsulated ESIPT dyes as electron donors, Santos, Fabiano S.; Ramasamy, Elamparuthi; Ramamurthy, V.; Rodembusch, Fabiano S., Photochemical and Photobiological Sciences 2017, 16(6), 840-844 DOI: 10.10.1039/C7PP00065K

 

The SAMPL5 host-guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method, Yin, Jian; Henriksen, Niel M.; Slochower, David R.; Gilson, Michael K., Journal of Computer-Aided Molecular Design 2017, 31(1), 133-145 DOI: 10.1007/s10822-016-9970-8

 

Reversible Disassembly-Assembly of Octa Acid-Guest Capsule in Water Triggered by a Photochromic Process, Mohan Raj, A.; Raymo, Francisco M.; Ramamurthy, V., Organic Letters 2016, 18(7), 1566-1569. DOI: 10.1021/acs.orglett.6b00405

 

Photorelease of Incarcerated Caged Acids from Hydrophobic Coumaryl Esters into Aqueous Solution, Kamatham, Nareshbabu; Mendes, Debora C.; Da Silva, Jose P.; Givens, Richard S.; Ramamurthy V., Organic Letters 2016, 18(21), 5480-5483 DOI: 10.1021/acs.orglett.6b02655

 

Confinement effect on the photo physics of ESIPT fluorophores, Santos, Fabiano S.; Ramasamy, Elamparuthi; Ramamurthy, V.; Rodembusch, Fabiano S., Journal of Materials Chemistry C: Materials for Optical and Electronic Devices 2016, 4(14), 2820-2827. DOI: 10.1039/C5TC03245H

 

Photorelease of Incarcerated Guests in Aqueous Solution with Phenacyl Esters as the Trigger, Jagadesan, Pradeepkumar; Da Silva, Jose P.; Givens, Richard S.; Ramamurthy, V. Organic Letters 2015, 17(5), 1276-1279. DOI: 10.1021/acs.orglett.5b00252

 

Photoisomerization and Photooxygenation of 1,4-Diaryl-1,3-dienes in a Confined Space, Samanta, Shampa R.; Choudhury, Rajib.; Ramamurthy, V. Journal of Physical Chemistry A 2014, 118(45), 10554-10562. DOI: 10.1021/jp505196v

 

A Latent Reaction in a Model GFP Chromophore Revealed upon Confinement: Photohydroxylation of ortho-Halo Benzylidene-3-methylimidazolidiones via an Electrocyclization Process, Samanta, Shampa R.; Da Silva, Jose P.; Baldridge, Anthony; Tolbert, Laren M.; Ramamurthy, V. Organic Letters 2014, 16(12), 3304-3307. DOI: 10.1021/ol5013058

 

Converging free energies of binding in cucurbit[7]uril and oct-acid host-guest systems from SAMPL4 using expanded ensemble simulations, Monroe, Jacob I.; Shirts, Michael R. Journal of Computer-Aided Molecular Design 2014, 28(4), 401-415. DOI: 10.1007/s10822-014-9716-4

 

Blind Prediction of Binding Affinities for Charged Supramolecular Host-Guest Systems: Achievements and Shortcomings of DFT-D3, Sure, Rebecca; Antony, Jens; Grimme, Stefan Journal of Physical Chemistry B 2014, 118(12), 3431-3440. DOI: 10.1021/jp411616b

 

Deep-Cavity Cavitand Octa Acid as a Hydrogen Donor: Photofunctionalization with Nitrenes Generated from Azidoadamantanes, Choudhury, Rajib; Gupta, Shipra; Da Silva, Jose P.; Ramamurthy, V., Journal of Organic Chemistry 2013, 78(5), 1824-1832. DOI: 10.1021/jo301499t

 

Photochemical Reaction Containers as Energy and Electron-Transfer Agents, Jagadesan, Pradeepkumar; Mondal, Barnali; Parthasarathy, Anand; Rao, V. Jayathirtha; Ramamurthy, V., Organic Letters 2013, 15(6), 1326-1329. DOI: 10.1021/ol400267k

 

Role of Free Space and Conformational Control on Photoproduct Selectivity of Optically Pure a-Alkyldeoxybenzoins within a Water-Soluble Organic Capsule, Kulasekharan, Revathy; Maddipatla, Murthy V. S. N.; Parthasarathy, Anand; Ramamurthy, V. Journal of Organic Chemistry 2013, 78(3), 942-949. DOI: 10.1021/jo3023928

 

Photo-induced electron transfer between a donor and an acceptor separated by a capsular wall, Porel, Mintu; Jockusch, Steffen; Parthasarathy, Anand; Rao, V. Jayathirtha; Turro, Nicholas J.; Ramamurthy, V. Chemical Communications 2012, 48(21), 2710-2712. DOI: 10.1039/C2CC17938E

 

Supramolecular control during triplet sensitized geometric isomerization of stilbenes encapsulated in a water soluble organic capsule, Samanta, S. R.; Parthasarathy, A.; Ramamurthy, V. Photochemical & Photobiological Sciences 2012, 11(11), 1652-1660. DOI: 10.1039/c2pp25115a

 

Interaction between Encapsulated Excited Organic Molecules and Free Nitroxides: Communication Across a Molecular Wall, Porel, Mintu; Jockusch, Steffen; Ottaviani, M. Francesca; Turro, N. J.; Ramamurthy, V., Langmuir 2011, 27(17), 10548-10555. DOI: 10.1021/la202120u

 

Role of free space and weak interactions on geometric isomerization of stilbenes held in a molecular container, Parthasarathy, Anand; Ramamurthy, V., Photochemical & Photobiological Sciences 2011, 10(9), 1455-1462. DOI: 10.1039/c1pp05035d

 

Photochemical Generation and Reactivity of Carbenes within an Organic Cavitand and Capsule: Photochemistry of Adamantanediazirines, Gupta, Shipra; Choudhury, Rajib; Krois, Daniel; Wagner, Gerald; Brinker, Udo H.; Ramamurthy, V., Organic Letters, 2011, 13(22), 6074-6077.  DOI: 10.1021/ol202568s

 

Interaction between Encapsulated Excited Organic Molecules and Free Nitroxides: Communication Across a Molecular Wall, Porel, Mintu; Jockusch, Steffen; Ottaviani, M. Francesca; Turro, N. J.; Ramamurthy, V., Langmuir, 2011, 27(17), 10548-10555.  DOI: 10.1021/la202120u

 

Ultrafast singlet-singlet energy transfer between an acceptor electrostatically attached to the walls of an organic capsule and the enclosed donor, Gupta, Shipra; Adhikari, Aniruddha; Mandal, Amit Kumar; Bhattacharyya, Kankan; Ramamurthy, V., Journal of Physical Chemistry C 2011, 115(19), 9593-9600.  DOI: 10.1021/jp2001578

 

Encapsulation of Tetrathiafulvalene Inside a Dimeric Molecular Capsule, Qiu, Yanhua; Yi, Song; Kaifer, Angel E., Organic Letters, 2011, 13(7), 1770-1773,  DOI: 10.1021/ol200258g

 

Dynamics of capsuleplex formed between octaacid and organic guest molecules – Photophysical techniques reveal the opening and closing of capsuleplex, Jayaraj, Nithyanandhan; Jockusch, Steffen; Kaanumalle, Lakshmi S.; Turro, N. J.; Ramamurthy, V., Canadian Journal of Chemistry, 2011, 89(2), 203-213. DOI: 10.1139/V10-104.

 

Steric and Electronic Effects in Capsule-Confined Green Fluorescent Protein Chromophores, Baldridge, A., Samanta, S. R.; Jayaraj, N.; Ramamurthy, V.; Tolbert, L. M., J. Am. Chem. Soc., 2011, 133, 712–715.  DOI: 10.1021/ja1094606

 

Chemistry in Confined Spaces: High-Energy Conformer of a Piperidine Derivative is Favored Within a Water-Soluble Capsuleplex, Porel, M., Jayaraj, N,; Raghothama, S.; Ramamurthy, V., Org. Lett., 2010, 12, 4544–4547.  DOI: 10.1021/ol101841n

 

Electron Spin Polarization Transfer from a Nitroxide Incarcerated within a Nanocapsule to a Nitroxide in the Bulk Aqueous Solution, Jockusch, S.; Zeika, O.; Jayaraj, N.; Ramamurthy, V.; Turro, N. J., J. Phys. Chem. Lett., 2010, 1, 2628–2632.  DOI: 10.1021/jz101006s

 

Closed Nano-container Enables Thioketones to Phosphoresce at Room Temperature in Aqueous Solution, Jayaraj, N.; Maddipatla, M. V. S. N.; Prabhakar, R.; Jockusch, S.; Turro, N. J.; Ramamurthy, V,. J. Phys. Chem. B, 2010, 114, 14320–14328.  DOI: 10.1021/jp911698s

 

Structure-Reactivity Relationships: Reactions of a 5-Substituted Aziadamantane in a Resorcin[4]arene-based Cavitand, Wagner, G.; Knoll, W.; Bobek, M.M.; Breker, L.; van Herwijnen, H.W.G.; Brinker, U.H. Org. Lett., 2010, 12, 332-335.  DOI: 10.1021/ol902667a

 

Activation of Fluorescent Protein Chromophores by Encapsulation, Baldridge, A., Samanta, S. R.; Jayaraj, N.; Ramamurthy, V.; Tolbert, L., J. Am. Chem. Soc., 2010, 132, 1498–1499. DOI: 10.1021/ja908870k

 

Guest Rotations within a Capsuleplex Probed by NMR and EPR Techniques, Kulasekharan, R.; Jayaraj, N,; Porel, M.; Choudhury, R.; Sundaresan, A. K.;  Parthasarathy, A.; Ottaviani, M. F.; Jockusch, S.; Turro N. J.; Ramamurthy, V., Langmuir, 2010, 26, 6943–6953. DOI: 10.1021/la904196g

 

Cavitand Octa Acid Forms a Nonpolar Capsuleplex Dependent on the Molecular Size and Hydrophobicity of the Guest, Porel, Mintu; Jayaraj, Nithyanandhan; Kaanumalle, Lakshmi S.; Maddipatla, Murthy V. S. N.; Parthasarathy, Anand; Ramamurthy, V, Langmuir 2009, 25(6), 3473-3481. DOI:10.1021/la804194w

 

Mediated Electrochemical Oxidation of a Fully Encapsulated Redox Active Center, Podkoscielny, D.; Gadde S.; Kaifer, A. E. J. Am. Chem. Soc., 2009, 131, 12876-12877 DOI: 10.1021/ja9045108

 

Nature of Supramolecular Complexes Controlled by the Structure of the Guest Molecules: Formation of Octa Acid Based Capsuleplex and Cavitandplex, Jayaraj, N.; Zhao, Y.; Parthasarathy, A.; Porel, M.; Liu R. S. H.; Ramamurthy, V., Langmuir, 2009, 25, 10575–10586.  DOI: 10.1021/la901367k

 

Cavitand Octa Acid Forms a Nonpolar Capsuleplex Dependent on the Molecular Size and Hydrophobicity of the Guest, Porel, M.; Jayaraj, N.; Kaanumalle, L. S.; Maddipatla, M. V. S. N.; Parthasarathy A.; Ramamurthy, V. Langmuir, 2009, 25, 3473–3481. DOI: 10.1021/la804194w

 

Photochromism of a diarylethene derivative in aqueous solution capping with a water-soluble nano-cavitand, Saitoha, M.; Fukaminatoa, T.; Irie, M. Journal of Photochemistry and Photobiology A: Chemistry, 2009, 207, 28-31. DOI: 10.1016/j.jphotochem.2009.03.010

 

An EPR and NMR Study of Supramolecular Effects on Paramagnetic Interaction between a Nitroxide Incarcerated within a Nanocapsule with a Nitroxide in Bulk Aqueous Media, Chen, J. Y.-C.; Jayaraj, N.; Jockusch, S.; Ottaviani, M. F.; Ramamurthy, V.; and Turro, N. J., J. Am. Chem. Soc., 2008, 130, 7206–7207.  DOI: 10.1021/ja801667w

 

Controlling Photochemical Geometric Isomerization of a Stilbene and Dimerization of a Styrene Using a Confined Reaction Cavity in Water, Parthasarathy, A.; Kaanumalle, L. S.; Ramamurthy, R. Org. Lett., 2007, 9, 5059–5062.  DOI: 10.1021/ol702322u

 

Making a Difference on Excited-State Chemistry by Controlling Free Space within a Nanocapsule: Photochemistry of 1-(4-Alkylphenyl)-3-phenylpropan-2-ones, Sundaresan A. K.; Ramamurthy, V., Org. Lett., 2007, 9, 3575–3578.  DOI: 10.1021/ol0713990

 

Photodimerization of acenaphthylene within a nanocapsule: excited state lifetime dependent dimer selectivity, Kaanumalle, L. S.; Ramamurthy, V., Chem. Commun., 2007, 1062-1064.  DOI: 10.1039/B615937K