How the Chalcogen Atom Size Dictates the Hydrogen‐Bond Donor Capability of Carboxamides, Thioamides, and Selenoamides

C Nieuwland, C Fonseca Guerra - Chemistry–A European …, 2022 - Wiley Online Library
The amino groups of thio‐and selenoamides can act as stronger hydrogen‐bond donors
than of carboxamides, despite the lower electronegativity of S and Se. This phenomenon …

Carbon-centered hydrogen bonds in proteins

J Dutta, AK Sahu, AS Bhadauria… - Journal of Chemical …, 2022 - ACS Publications
Hydrogen bonding (H-bonding) without lone pair (s) of electrons and π-electrons is a
concept developed 2–3 years ago. H-bonds involving less electronegative tetrahedral …

Hydrogen Bonding Directed Reversal of 13C NMR Chemical Shielding

S Jena, C Routray, J Dutta, HS Biswal - Angewandte Chemie, 2022 - Wiley Online Library
The deshielding or downfield 13C NMR chemical shift of amide carbonyl carbon upon H‐
bonding is a widely observed phenomenon. This downfield shift is commonly used as a …

Critical assessment of selenourea as an efficient small molecule fluorescence quenching probe to monitor protein dynamics

S Jena, KD Tulsiyan, RR Sahoo, S Rout, AK Sahu… - Chemical …, 2023 - pubs.rsc.org
Organoselenium compounds have recently been the experimentalists' delight due to their
broad applications in organic synthesis, medicinal chemistry, and materials science …

Aromaticity of nucleic acid bases

H Szatylowicz, OA Stasyuk, M Solà… - Wiley Interdisciplinary …, 2021 - Wiley Online Library
Abstract 3D shape and the resulting physicochemical properties of double‐helical DNA/RNA
structures are determined not only by individual nucleobases, but also by their additive …

Thio and Seleno‐Psoralens as Efficient Triplet Harvesting Photosensitizers for Photodynamic Therapy

S Jena, P Mohanty, S Rout Rout… - … A European Journal, 2024 - Wiley Online Library
Abstract The Psoralen (Pso) molecule finds extensive applications in photo‐chemotherapy,
courtesy of its triplet state forming ability. Sulfur and selenium replacement of exocyclic …

Thiolumazines as Heavy-Atom-Free Photosensitizers for Applications in Daylight Photodynamic Therapy: Insights from Ultrafast Excited-State Dynamics

S Jena, KD Tulsiyan, A Kumari, R Das… - The Journal of …, 2022 - ACS Publications
Finding appropriate photosensitizers (PSs) for daylight photodynamic therapy (dPDT)
applications is extremely challenging, even though heavy-atom-free photosensitizers …

Hydrogen bonding with polonium

KD Tulsiyan, S Jena, J Dutta, HS Biswal - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
Hydrogen bonding (H-bonding) with heavier chalcogens such as polonium and tellurium is
almost unexplored owing to their lower electronegativities, providing us an opportunity to …

Probing Aromaticity with Supersonic Jet Spectroscopy: A Case Study on Furan, Thiophene, and Selenophene

AK Sahu, AR Satpathi, S Rout, P Mohanty… - The Journal of …, 2024 - ACS Publications
Aromaticity is a century-old concept that is even introduced in high school textbooks.
However, the determination of the order of aromaticity of molecules as simple as furan …

Adsorption study of 4-nitrophenol onto kaolinite (001) surface: A van der Waals density functional study

E Santana, RD Possa, ALF Novais, V Manzoni… - Materials Chemistry and …, 2021 - Elsevier
Using clay materials as adsorbents for removing hazardous materials using adsorption has
been gaining interest because of the efficiency, ecology, easy access, and low cost of these …