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Article ; Online: Binding and inhibitory effect of ravidasvir on 3CL

Bera, Krishnendu

Journal of biomolecular structure & dynamics

2021 Volume 40, Issue 16, Page(s) 7303–7310

Abstract: Drug repurposing requires a limited resource, cost-effective and faster method to combat severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Therefore, ... ...

Abstract	Drug repurposing requires a limited resource, cost-effective and faster method to combat severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Therefore, this
MeSH term(s)	Humans ; Benzimidazoles ; Coronavirus 3C Proteases ; COVID-19 Drug Treatment ; Cysteine Endopeptidases/chemistry ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Pandemics ; Protease Inhibitors/chemistry ; SARS-CoV-2 ; Valine/analogs & derivatives ; Viral Nonstructural Proteins/chemistry
Chemical Substances	Benzimidazoles ; Coronavirus 3C Proteases (EC 3.4.22.28) ; Cysteine Endopeptidases (EC 3.4.22.-) ; Protease Inhibitors ; ravidasvir ; Valine (HG18B9YRS7) ; Viral Nonstructural Proteins
Language	English
Publishing date	2021-03-08
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2021.1896388
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Article ; Online: Efficient solid- and solution-state emissive reusable solvatochromic fluorophores for colorimetric and fluorometric detection of CN

Maji, Atanu / Aich, Krishnendu / Biswas, Amitav / Gharami, Saswati / Bera, Biswajit / Mondal, Tapan K

The Analyst

2024 Volume 149, Issue 5, Page(s) 1557–1570

Abstract: In this work, a novel organic receptor, CPI [( ...

Abstract	In this work, a novel organic receptor, CPI [(
Language	English
Publishing date	2024-02-26
Publishing country	England
Document type	Journal Article
ZDB-ID	210747-8
ISSN	1364-5528 ; 0003-2654
ISSN (online)	1364-5528
ISSN	0003-2654
DOI	10.1039/d3an01697h
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Zs.A 2423: Show issues

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Article ; Online: Indazole-Derived Mono-/Diruthenium and Heterotrinuclear Complexes: Switchable Binding Mode, Electronic Form, and Anion Sensing Events.

Kumari, Maya / Dey, Krishnendu / Bera, Sudip Kumar / Lahiri, Goutam Kumar

Inorganic chemistry

2022 Volume 61, Issue 40, Page(s) 16122–16140

Abstract: The article deals with the newer classes of mononuclear: [(acac) ...

Abstract	The article deals with the newer classes of mononuclear: [(acac)
MeSH term(s)	2,2'-Dipyridyl ; Anions/chemistry ; Electronics ; Indazoles ; Ligands ; Nitrogen ; Organometallic Compounds/chemistry ; Protons ; Ruthenium/chemistry
Chemical Substances	Anions ; Indazoles ; Ligands ; Organometallic Compounds ; Protons ; 2,2'-Dipyridyl (551W113ZEP) ; Ruthenium (7UI0TKC3U5) ; Nitrogen (N762921K75)
Language	English
Publishing date	2022-09-23
Publishing country	United States
Document type	Journal Article
ZDB-ID	1484438-2
ISSN	1520-510X ; 0020-1669
ISSN (online)	1520-510X
ISSN	0020-1669
DOI	10.1021/acs.inorgchem.2c02628
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Article ; Online: Tuning the Activity and Stability of CoCr-LDH by Forming a Heterostructure on Surface-Oxidized Nickel Foam for Enhanced Water-Splitting Performance.

Singha Roy, Suprobhat / Madhu, Ragunath / Bera, Krishnendu / Nagappan, Sreenivasan / Dhandapani, Hariharan N / De, Aditi / Kundu, Subrata

ACS applied materials & interfaces

2024 Volume 16, Issue 5, Page(s) 5965–5976

Abstract: The development of low-cost, efficient catalysts for electrocatalytic water splitting to generate green hydrogen is a hot topic among researchers. Herein, we have developed a highly efficient heterostructure of CoCr-LDH on NiO on nickel foam (NF) for the ...

Abstract	The development of low-cost, efficient catalysts for electrocatalytic water splitting to generate green hydrogen is a hot topic among researchers. Herein, we have developed a highly efficient heterostructure of CoCr-LDH on NiO on nickel foam (NF) for the first time. The preparation strategy follows the simple annealing of a cleaned NF without using any Ni salt precursor, followed by the growth of CoCr-LDH nanosheets over the surface-oxidized NF. The CoCr-LDH/NiO/NF catalyst shows excellent electrocatalytic activity and stability toward oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in a 1 M KOH solution. For OER, only 253 mV and for HER, only 185 mV overpotentials are required to attain a 50 mA cm
Language	English
Publishing date	2024-01-24
Publishing country	United States
Document type	Journal Article
ISSN	1944-8252
ISSN (online)	1944-8252
DOI	10.1021/acsami.3c17540
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Article ; Online: Empowering the Water Oxidation Activity of the Bimetallic Metal-Organic Framework by Annexing Gold Nanoparticles over the Catalytic Surface.

Kuchipudi, Anup / Das, Ankit / Bera, Krishnendu / Panda, Subhendu K / Sreedhar, Gosipathala / Kundu, Subrata

Inorganic chemistry

2023 Volume 62, Issue 51, Page(s) 21265–21276

Abstract: Electrocatalytic water splitting to an anodic oxygen evolution reaction (OER) and a cathodic hydrogen evolution reaction (HER) is believed to be the most important application for sustainable hydrogen generation. Being a four-electron, four-proton ... ...

Abstract	Electrocatalytic water splitting to an anodic oxygen evolution reaction (OER) and a cathodic hydrogen evolution reaction (HER) is believed to be the most important application for sustainable hydrogen generation. Being a four-electron, four-proton transfer process, the OER plays the main obstacle for the same. Therefore, designing an effective electrocatalyst to minimize the activation energy barrier for the OER is a research topic of prime importance. The metal-organic framework (MOF) with a highly porous network is considered an appropriate candidate for the OER in alkaline conditions. Apart from several MOFs, the bimetallic one has an advantageous electrocatalytic performance due to the synergistic electronic interaction between two metal ions. However, most bimetallic MOFs have an obstacle to electrocatalytic application due to their low conductive nature, and therefore, they possess a barrier for charge transfer kinetics at the interface. Surface functionalization via various nanoparticles (NPs) is believed to be the most effective strategy for nullifying the conductive issue. In this work, we have designed a CoNi-based bimetallic MOF that was surface-functionalized by Au NPs (Au@CoNi-Bpy-BTC) for the OER under alkaline conditions. Au@CoNi-Bpy-BTC required an overpotential of just 330 mV, which is 56 mV lower as compared to the pristine MOF. Impedance analysis confirms an improved conductivity and charge transfer at the interface, where Au@CoNi-Bpy-BTC possesses a lower
Language	English
Publishing date	2023-12-10
Publishing country	United States
Document type	Journal Article
ZDB-ID	1484438-2
ISSN	1520-510X ; 0020-1669
ISSN (online)	1520-510X
ISSN	0020-1669
DOI	10.1021/acs.inorgchem.3c03351
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Article: A novel fossil-species of Meliolinites Selkirk (fossil Meliolaceae) and its life cycle stages associated with an angiosperm fossil leaf from the Siwalik (Mio-Pliocene) of Bhutan sub-Himalaya.

Bera, Meghma / Khan, Mahasin Ali / Hazra, Taposhi / Acharya, Krishnendu / Goswami, Bapi / Bera, Subir

Fungal biology

2022 Volume 126, Issue 9, Page(s) 576–586

Abstract: Here, we report the in-situ occurrence of a new fossil-species of Meliolinites (fossil Meliolaceae), Meliolinites bhutanensis sp. nov. on the cuticle fragments of a compressed angiosperm dicot leaf recovered from the middle Siwalik (Formation II: latest ... ...

Abstract	Here, we report the in-situ occurrence of a new fossil-species of Meliolinites (fossil Meliolaceae), Meliolinites bhutanensis sp. nov. on the cuticle fragments of a compressed angiosperm dicot leaf recovered from the middle Siwalik (Formation II: latest Miocene to Pliocene) of Bhutan, eastern Himalaya. This unique foliicolous new fossil fungal species features well-preserved mycelia consisting of superficial, brown to dark brown, septate, thick-walled, branching hyphae with bi-cellular appressoria, unicellular phialides, and a characteristic long, slightly curved hyphal seta. The web-like, brown to dark brown fungal colonies also include globose to sub-globose, dark brown ascomata, and oblong to broadly cylindrical, 5-celled, 4-septate, brown to dark brown, mature ascospores. As almost all features of different stages in the life cycle (ascospores, mature germinating ascospores, superficial lateral hyphae, hyphal seta, hyphopodia, mycelial colony, and ascomata) of this new fossil-species are found, we have proposed the first time a possible life cycle of fossil-species of Meliolaceae. The in-situ evidence of M. bhutanensis on the host leaf cuticle indicates the possible existence of a host-ectoparasite relationship in Bhutan sub-Himalaya's ancient warm and humid tropical evergreen forest during the deposition. So, M. bhutanensis might have thrived generally under warm and humid climate conditions for its growth and development in the Mio-Pliocene time, which is in conformity with our recently published quantitative climatic data by CLAMP (Climate Leaf Analysis Multivariate Program) analysis.
MeSH term(s)	Animals ; Ascomycota ; Bhutan ; Fossils ; Life Cycle Stages ; Magnoliopsida ; Plant Leaves/microbiology ; Spores, Fungal
Language	English
Publishing date	2022-07-16
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2532164-X
ISSN	1878-6162 ; 1878-6146
ISSN (online)	1878-6162
ISSN	1878-6146
DOI	10.1016/j.funbio.2022.07.003
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Article ; Online: Polyethylene glycol perturbs the unfolding of CRABP I: A correlation between experimental and theoretical approach.

Subadini, Suchismita / Bera, Krishnendu / Hritz, Jozef / Sahoo, Harekrushna

Colloids and surfaces. B, Biointerfaces

2021 Volume 202, Page(s) 111696

Abstract: The importance of macromolecules paves the way towards a detailed molecular level investigation as all most all cellular processes occurring at the interior of cells in the form of proteins, enzymes, and other biological molecules are significantly ... ...

Abstract	The importance of macromolecules paves the way towards a detailed molecular level investigation as all most all cellular processes occurring at the interior of cells in the form of proteins, enzymes, and other biological molecules are significantly affected because of their crowding. Thus, exploring the role of crowding environment on the denaturation and renaturation kinetics of protein molecules is of great importance. Here, CRABP I (cellular retinoic acid binding protein I) is employed as a model protein along with different molecular weights of Polyethylene glycol (PEG) as molecular crowders. The experimental evaluations are done by accessing the protein secondary structure analysis using circular dichroism (CD) spectroscopy and unfolding kinetics using intrinsic fluorescence of CRABP I at 37 °C to mimic the in vivo crowding environment. The unfolding kinetics results indicated that both PEG 2000 and PEG 4000 act as stabilizers by retarding the unfolding kinetic rates. Both kinetic and stability outcomes presented the importance of crowding environment on stability and kinetics of CRABP I. The molecular dynamics (MD) studies revealed that thirteen PEG 2000 molecules assembled during the 500 ns simulation, which increases the stability and percentage of β-sheet. The experimental findings are well supported by the molecular dynamics simulation results.
MeSH term(s)	Circular Dichroism ; Kinetics ; Polyethylene Glycols ; Protein Denaturation ; Protein Folding ; Protein Structure, Secondary ; Receptors, Retinoic Acid
Chemical Substances	Receptors, Retinoic Acid ; retinoic acid binding protein I, cellular ; Polyethylene Glycols (3WJQ0SDW1A)
Language	English
Publishing date	2021-03-13
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1500523-9
ISSN	1873-4367 ; 0927-7765
ISSN (online)	1873-4367
ISSN	0927-7765
DOI	10.1016/j.colsurfb.2021.111696
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Article: A novel fossil-species of Meliolinites Selkirk (fossil Meliolaceae) and its life cycle stages associated with an angiosperm fossil leaf from the Siwalik (Mio-Pliocene) of Bhutan sub-Himalaya

Bera, Meghma / Khan, Mahasin Ali / Hazra, Taposhi / Acharya, Krishnendu / Goswami, Bapi / Bera, Subir

Fungal biology. 2022 July 12,

2022

Abstract	Here, we report the in-situ occurrence of a new fossil-species of Meliolinites (fossil Meliolaceae), Meliolinites bhutanensis sp. nov. on the cuticle fragments of a compressed angiosperm dicot leaf recovered from the middle Siwalik (Formation II: latest Miocene to Pliocene) of Bhutan, eastern Himalaya. This unique foliicolous new fossil fungal species features well-preserved mycelia consisting of superficial, brown to dark brown, septate, thick-walled, branching hyphae with bi-cellular appressoria, unicellular phialides, and a characteristic long, slightly curved hyphal seta. The web-like, brown to dark brown fungal colonies also include globose to sub-globose, dark brown ascomata, and oblong to broadly cylindrical, 5-celled, 4-septate, brown to dark brown, mature ascospores. As almost all features of different stages in the life cycle (ascospores, mature germinating ascospores, superficial lateral hyphae, hyphal seta, hyphopodia, mycelial colony, and ascomata) of this new fossil-species are found, we have proposed the first time a possible life cycle of fossil-species of Meliolaceae. The in-situ evidence of M. bhutanensis on the host leaf cuticle indicates the possible existence of a host-ectoparasite relationship in Bhutan sub-Himalaya's ancient warm and humid tropical evergreen forest during the deposition. So, M. bhutanensis might have thrived generally under warm and humid climate conditions for its growth and development in the Mio-Pliocene time, which is in conformity with our recently published quantitative climatic data by CLAMP (Climate Leaf Analysis Multivariate Program) analysis.
Keywords	Magnoliopsida ; Meliolaceae ; Miocene epoch ; Pliocene epoch ; appressoria ; ascomata ; ascospores ; evergreen forests ; fossils ; fungi ; humid zones ; hyphae ; leaf analysis ; leaves ; mycelium ; mycology ; Bhutan ; Himalayan region
Language	English
Dates of publication	2022-0712
Publishing place	Elsevier Ltd
Document type	Article
Note	Pre-press version
ZDB-ID	2532164-X
ISSN	1878-6162 ; 1878-6146
ISSN (online)	1878-6162
ISSN	1878-6146
DOI	10.1016/j.funbio.2022.07.003
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Ni

Kuila, Sandip K / Harshit / Roy, Nilanjan / Ghanta, Sivaprasad / Pan, Rahul / Buxi, Krishnendu / Pramanik, Parna / Bera, Anup K / Saha, Bikash / Yusuf, Seikh M / Petříček, Václav / Roy, Ahin / Jana, Partha Pratim

Inorganic chemistry

2023 Volume 62, Issue 19, Page(s) 7304–7314

Abstract: The ternary phase with the composition ... ...

Abstract	The ternary phase with the composition Ni
Language	English
Publishing date	2023-05-01
Publishing country	United States
Document type	Journal Article
ZDB-ID	1484438-2
ISSN	1520-510X ; 0020-1669
ISSN (online)	1520-510X
ISSN	0020-1669
DOI	10.1021/acs.inorgchem.3c00428
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Article ; Online: Accelerating the Electrocatalytic Performance of NiFe-LDH via Sn Doping toward the Water Oxidation Reaction under Alkaline Condition.

Bera, Krishnendu / Madhu, Ragunath / Dhandapani, Hariharan N / Nagappan, Sreenivasan / De, Aditi / Kundu, Subrata

Inorganic chemistry

2022 Volume 61, Issue 42, Page(s) 16895–16904

Abstract: To generate green hydrogen by water electrolysis, it is vital to develop highly efficient electrocatalysts for the oxygen evolution reaction (OER). The utilization of various 3d transition metal-based layered double hydroxides (LDHs), especially NiFe-LDH, ...

Abstract	To generate green hydrogen by water electrolysis, it is vital to develop highly efficient electrocatalysts for the oxygen evolution reaction (OER). The utilization of various 3d transition metal-based layered double hydroxides (LDHs), especially NiFe-LDH, has gained vast attention for OER under alkaline conditions. However, the lack of a proper electronic structure of the NiFe-LDH and low stability under high-pH conditions limit its large-scale application. To overcome these difficulties, in this study, we constructed an Sn-doped NiFe-LDH material using a simple wet-chemical method. The doping of Sn will synergistically increase the active surface sites of NiFe-LDH. The highly active NiFe-LDH Sn
Language	English
Publishing date	2022-10-11
Publishing country	United States
Document type	Journal Article
ZDB-ID	1484438-2
ISSN	1520-510X ; 0020-1669
ISSN (online)	1520-510X
ISSN	0020-1669
DOI	10.1021/acs.inorgchem.2c02947
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