Supramolecular Synthon Identification in Azelaic Acid – Isonicotinamide

Autor: Jayasubba Reddy Yarava, Lokeswara Rao Potnuru, Bholanath Pahari, Srinu Tothadi, K.V. Ramanathan

Publikováno v: Journal of Magnetic Resonance Open, Vol 10, Iss , Pp 100056- (2022)

Supramolecular synthons are the smallest structural units that contain the information inherent in building large molecular assemblies. Here, we apply solid-state NMR methods for the identification of the synthon in a cocrystal of Azelaic acid [(CH2)

Externí odkaz: https://doaj.org/article/b419b2849ac841688ff541ebef87a593

Minimalist De Novo Design of an Artificial Enzyme

Autor: Jahnu Saikia, Venugopal T. Bhat, Lokeswara Rao Potnuru, Amay S. Redkar, Vipin Agarwal, Vibin Ramakrishnan

Publikováno v: ACS omega. 7(23)

We employed a reductionist approach in designing the first heterochiral tripeptide that forms a robust heterogeneous short peptide catalyst similar to the "histidine brace" active site of lytic polysaccharide monooxygenases. The histidine brace is a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::27d8971f17ba8a85cc89e6113c2d5c6c
https://pubmed.ncbi.nlm.nih.gov/35721939

Accuracy of

Autor: Lokeswara Rao, Potnuru, Nghia Tuan, Duong, Sahil, Ahlawat, Sreejith, Raran-Kurussi, Matthias, Ernst, Yusuke, Nishiyama, Vipin, Agarwal

Publikováno v: The Journal of chemical physics. 153(8)

Selective recoupling of protons (SERP) is a method to selectively and quantitatively measure magnetic dipole-dipole interaction between protons and, in turn, the proton-proton distance in solid-state samples at fast magic-angle spinning. We present a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::37f3cdc6ba2778c3a3e90b3c9329affd
https://pubmed.ncbi.nlm.nih.gov/32872876

Selective 1H–1H recoupling via symmetry sequences in fully protonated samples at fast magic angle spinning

Autor: Vipin Agarwal, Sreejith Raran-Kurussi, Yusuke Nishiyama, Lokeswara Rao Potnuru, Budaraju Sasank, Nghia Tuan Duong

Publikováno v: Journal of Magnetic Resonance. 328:107004

Proton-detected solid-state NMR at fast Magic Angle Spinning (MAS) is becoming the norm to characterize molecules. Routinely 1H-1H and 1H-X dipolar couplings are used to characterize the structure and dynamics of molecules. Selective proton recouplin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3c4bbe229283783e139bd1165b71eb6e
https://doi.org/10.1016/j.jmr.2021.107004

Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3•••CH3 Hydrophobic Interactions

Autor: Arnaud Grosjean, T. N. Guru Row, Alison J. Edwards, K. V. Ramanathan, Lokeswara Rao Potnuru, Sounak Sarkar, Sajesh P. Thomas

Publikováno v: Sarkar, S, Thomas, S P, Potnuru, L R, Edwards, A J, Grosjean, A, Ramanathan, K V & Row, T N G 2019, ' Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3•••CH3 Hydrophobic Interactions ', Journal of Physical Chemistry Letters, vol. 10, no. 22, pp. 7224-7229 . https://doi.org/10.1021/acs.jpclett.9b02734

Hydrophobic interactions are often explored in solution-state aggregation of molecules. However, an experimental electron density description about these interactions is still lacking. Here, we report a systematic study on the electronic nature of me

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a33963cb5a1dd037bb6c1a07f40ac142
https://pure.au.dk/portal/da/publications/experimental-insights-into-the-electronic-nature-spectral-features-and-role-of-entropy-in-short-ch3ch3-hydrophobic-interactions(49f9e7c0-f531-4996-8e3b-ddaaeb774e17).html