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Imino–Phenolic–Pyridyl Conjugates of Calix[4]arene (L1 and L2) as Primary Fluorescence Switch-on Sensors for Zn2+ in Solution and in HeLa Cells and the Recognition of Pyrophosphate and ATP by [ZnL2]

Inorganic chemistry, 2012-05, Vol.51 (9), p.4994-5005

2012

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Supramolecular Complexation of Biological Phosphates with an Acyclic Triazolium-Linked Anthracenyl-1,3-Diconjugate of Calix[4]Arene: Synthesis, Characterization, Spectroscopy, Microscopy, and Computational Studies

Chemistry : a European journal, 2014-10, Vol.20 (44), p.14378-14386

2014

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Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies

Journal of organic chemistry, 2011-03, Vol.76 (6), p.1742-1750

2011

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To Pass or Not To Pass: Predicting the Blood–Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation Theory

ACS omega, 2019-10, Vol.4 (16), p.16774-16780

2019

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Fluorescence and Piezoresistive Cantilever Sensing of Trinitrotoluene by an Upper-Rim Tetrabenzimidazole Conjugate of Calix[4]arene and Delineation of the Features of the Complex by Molecular Dynamics

ACS applied materials & interfaces, 2013-12, Vol.5 (24), p.13448-13456

2013

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Triazole-Linked-Thiophene Conjugate of Calix[4]arene: Its Selective Recognition of Zn2+ and as Biomimetic Model in Supporting the Events of the Metal Detoxification and Oxidative Stress Involving Metallothionein

Journal of organic chemistry, 2011-12, Vol.76 (24), p.10039-10049

2011

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Lower Rim 1,3-Di{4-antipyrine}amide Conjugate of Calix[4]arene: Synthesis, Characterization, and Selective Recognition of Hg2+ and Its Sensitivity toward Pyrimidine Bases

Journal of organic chemistry, 2012-02, Vol.77 (3), p.1406-1413

2012

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Predicting Blood–Brain Partitioning of Small Molecules Using a Novel Minimalistic Descriptor-Based Approach via the 3D-RISM-KH Molecular Solvation Theory

ACS omega, 2019-02, Vol.4 (2), p.3055-3060

2019

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Differentiating Phosphates by an Mg2+ Complex of the Conjugate of Calix[4]arene via the Formation of Ternary Species and Causing Changes in the Aggregation: Spectroscopy, Microscopy, and Computational Modeling

Analytical chemistry (Washington), 2015-09, Vol.87 (18), p.9344-9351

2015

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Selective Recognition of Cysteine in Its Free and Protein-Bound States by the Zn2+ Complex of a Triazole-Based Calix[4]arene Conjugate

Chemistry : a European journal, 2011-12, Vol.17 (50), p.13999-14003

2011

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A Zinc-Sensing Glucose-Based Naphthyl Imino Conjugate as a Detecting Agent for Inorganic and Organic Phosphates, Including DNA

Chemistry : a European journal, 2011-07, Vol.17 (29), p.8044-8047

2011

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Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors

Journal of computer-aided molecular design, 2019-11, Vol.33 (11), p.965-971

2019

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Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds

Journal of computer-aided molecular design, 2019-06, Vol.33 (6), p.605-611

2019

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Phenylene-Diimine-Capped Conjugate of Lower Rim 1,3-Calix[4]Arene As Molecular Receptor for Mg2+ via Arm Conformational Changes Followed by Aggregation and Mimicking the Species by Molecular Mechanics

Journal of organic chemistry, 2014-06, Vol.79 (12), p.5763-5770

2014

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Quinoline Driven Fluorescence Turn On 1,3-Bis-calix[4]arene Conjugate-Based Receptor to Discriminate Fe3+ from Fe2

Analytical chemistry (Washington), 2013-04, Vol.85 (7), p.3707-3714

2013

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The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations

Journal of computer-aided molecular design, 2019-10, Vol.33 (10), p.913-926

2019

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Ratiometric fluorescence off-on-off sensor for Cu2+ in aqueous buffer by a lower rim triazole linked benzimidazole conjugate of calix[4]arene

Dalton transactions : an international journal of inorganic chemistry, 2012-09, Vol.41 (35), p.10652-10660

2012

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Versatile, Reversible, and Reusable Gel of a Monocholesteryl Conjugated Calix[4]arene as Functional Material to Store and Release Dyes and Drugs Including Doxorubicin, Curcumin, and Tocopherol

ACS applied materials & interfaces, 2015-06, Vol.7 (21), p.11555-11566

2015

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Pyrenyl-imino-C2-glucosyl conjugate: synthesis, characterization, and ratiometric and reversible OFF–ON receptor for Hg2

Carbohydrate research, 2014-11, Vol.399, p.64-69

2014

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Differentiating phosphates by an Mg(2+) complex of the conjugate of calix[4]arene via the formation of ternary species and causing changes in the aggregation: spectroscopy, microscopy, and computational modeling

Analytical chemistry (Washington), 2015-09, Vol.87 (18), p.9344-9351

2015

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Triazole-Linked Anthracenyl-Appended Calix[4]arene Conjugate As Receptor for Co(II): Synthesis, Spectroscopy, Microscopy, and Computational Studies

Journal of organic chemistry, 2013-04, Vol.78 (8), p.3570-3576

2013

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Interaction of a dinuclear fluorescent Cd(ii) complex of calix[4]arene conjugate with phosphates and its applicability in cell imagingThis paper has been dedicated to Professor C.N.R. Rao, FRS on his 80th birthday.Electronic supplementary information (ESI) available: 1H and 13C NMR, mass spectral data of L and [CdL]2, fluorescence and absorbance spectra of all the anions, 1H NMR titration of [CdL]2 with phosphates, crystal data for [CdL]2, and the computational data. CCDC 1007749-1031377. For ES

2014-12

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Phenylene-Diimine-Capped Conjugate of Lower Rim 1,3-Calix[4]Arene As Molecular Receptor for Mg 2+ via Arm Conformational Changes Followed by Aggregation and Mimicking the Species by Molecular Mechanics

Journal of organic chemistry, 2014-06, Vol.79 (12), p.5763-5770

2014

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Triazole Linked Picolylimine Conjugate of Calix[6]arene as a Sequential Sensor for La3+ Followed by F

Organic letters, 2012-06, Vol.14 (12), p.2968-2971

2012

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Synthesis and properties of rhenium(I) bridged boron-dipyrromethene dyad

Journal of porphyrins and phthalocyanines, 2014-07, Vol.18 (7), p.535-541

2014

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Imino–Phenolic–Pyridyl Conjugates of Calix[4]arene (L1 and L2) as Primary Fluorescence Switch-on Sensors for Zn2+ in Solution and in HeLa Cells and the Recognition of Pyrophosphate and ATP by [ZnL2]

Supramolecular Complexation of Biological Phosphates with an Acyclic Triazolium-Linked Anthracenyl-1,3-Diconjugate of Calix[4]Arene: Synthesis, Characterization, Spectroscopy, Microscopy, and Computational Studies

Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies

To Pass or Not To Pass: Predicting the Blood–Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation Theory

Fluorescence and Piezoresistive Cantilever Sensing of Trinitrotoluene by an Upper-Rim Tetrabenzimidazole Conjugate of Calix[4]arene and Delineation of the Features of the Complex by Molecular Dynamics

Triazole-Linked-Thiophene Conjugate of Calix[4]arene: Its Selective Recognition of Zn2+ and as Biomimetic Model in Supporting the Events of the Metal Detoxification and Oxidative Stress Involving Metallothionein

Lower Rim 1,3-Di{4-antipyrine}amide Conjugate of Calix[4]arene: Synthesis, Characterization, and Selective Recognition of Hg2+ and Its Sensitivity toward Pyrimidine Bases

Predicting Blood–Brain Partitioning of Small Molecules Using a Novel Minimalistic Descriptor-Based Approach via the 3D-RISM-KH Molecular Solvation Theory

Differentiating Phosphates by an Mg2+ Complex of the Conjugate of Calix[4]arene via the Formation of Ternary Species and Causing Changes in the Aggregation: Spectroscopy, Microscopy, and Computational Modeling

Selective Recognition of Cysteine in Its Free and Protein-Bound States by the Zn2+ Complex of a Triazole-Based Calix[4]arene Conjugate

A Zinc-Sensing Glucose-Based Naphthyl Imino Conjugate as a Detecting Agent for Inorganic and Organic Phosphates, Including DNA

Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors

Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds

Phenylene-Diimine-Capped Conjugate of Lower Rim 1,3-Calix[4]Arene As Molecular Receptor for Mg2+ via Arm Conformational Changes Followed by Aggregation and Mimicking the Species by Molecular Mechanics

Quinoline Driven Fluorescence Turn On 1,3-Bis-calix[4]arene Conjugate-Based Receptor to Discriminate Fe3+ from Fe2

The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations

Ratiometric fluorescence off-on-off sensor for Cu2+ in aqueous buffer by a lower rim triazole linked benzimidazole conjugate of calix[4]arene

Versatile, Reversible, and Reusable Gel of a Monocholesteryl Conjugated Calix[4]arene as Functional Material to Store and Release Dyes and Drugs Including Doxorubicin, Curcumin, and Tocopherol

Pyrenyl-imino-C2-glucosyl conjugate: synthesis, characterization, and ratiometric and reversible OFF–ON receptor for Hg2

Differentiating phosphates by an Mg(2+) complex of the conjugate of calix[4]arene via the formation of ternary species and causing changes in the aggregation: spectroscopy, microscopy, and computational modeling

Triazole-Linked Anthracenyl-Appended Calix[4]arene Conjugate As Receptor for Co(II): Synthesis, Spectroscopy, Microscopy, and Computational Studies

Phenylene-Diimine-Capped Conjugate of Lower Rim 1,3-Calix[4]Arene As Molecular Receptor for Mg 2+ via Arm Conformational Changes Followed by Aggregation and Mimicking the Species by Molecular Mechanics

Triazole Linked Picolylimine Conjugate of Calix[6]arene as a Sequential Sensor for La3+ Followed by F

Synthesis and properties of rhenium(I) bridged boron-dipyrromethene dyad

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