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Continuous flow synthesis of the URAT1 inhibitor lesinurad

By pubs.rsc.org
Published On ::

React. Chem. Eng., 2020, 5,865-872
DOI: 10.1039/C9RE00483A, Paper
Mariana C. F. C. B. Damião, Henrique M. Marçon, Julio Cezar Pastre
A 5-steps continuous flow synthesis of lesinurad is provided and delivers this API in 68% overall yield.
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Elementary reaction pathway study and a deduced macrokinetic model for the unified understanding of Ni-catalyzed steam methane reforming

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React. Chem. Eng., 2020, 5,873-885
DOI: 10.1039/C9RE00460B, Paper
Changming Ke, Zijing Lin
DFT based microkinetics and macrokinetics that give quantitative explanations of the Ni-catalyzed steam methane reforming reactions.
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Ultrafast synthesis of 2-(benzhydrylthio)benzo[d]oxazole, an antimalarial drug, via an unstable lithium thiolate intermediate in a capillary microreactor

By pubs.rsc.org
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React. Chem. Eng., 2020, 5,849-852
DOI: 10.1039/D0RE00038H, Communication
Bandaru T. Ramanjaneyulu, Shinde Vidyacharan, Gwang-Noh Ahn, Dong-Pyo Kim
We present an ultrafast approach for the synthesis of 2-(benzhydrylthio)benzo[d]oxazole, an antimalarial drug, in 75% yield from benzo[d]oxazole-2-thiol and benzhydryl bromide via an unstable lithium thiolate intermediate in the presence of n-BuLi.
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Plasma-enhanced catalysis for the upgrading of methane: a review of modelling and simulation methods

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React. Chem. Eng., 2020, 5,814-837
DOI: 10.1039/D0RE00024H, Review Article
Pierre-André Maitre, Matthew S. Bieniek, Panagiotis N. Kechagiopoulos
Modelling methods and simulation works on the upgrading of methane via plasma and plasma-enhanced catalysis reviewed.
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New insights into catalysis for Heck reactions with fine supported Pd particles

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React. Chem. Eng., 2020, 5,921-934
DOI: 10.1039/C9RE00480G, Paper
Lin Huang, Zhan Wang, Jozel Tan
The catalytic activity over supported Pd particles is dependent on the concentration of soluble active Pd species. The correlation that the smaller the size of supported Pd particles, the higher the catalytic activity is confirmed.
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Design and development of 3D printed catalytically-active stirrers for chemical synthesis

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React. Chem. Eng., 2020, 5,853-858
DOI: 10.1039/C9RE00492K, Communication
Open Access
Matthew R. Penny, Stephen T. Hilton
In a novel approach, 3D-printed pTsOH containing stirrer beads have been used to catalyse the Mannich reaction.
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Hydrogenolysis of lignin-derived aryl ethers to monomers over a MOF-derived Ni/N–C catalyst

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React. Chem. Eng., 2020, 5,886-895
DOI: 10.1039/D0RE00040J, Paper
Xing-Gang Si, Yun-Peng Zhao, Qing-Lu Song, Jing-Pei Cao, Rui-Yu Wang, Xian-Yong Wei
A highly efficient Ni/N–C catalyst was synthesized by facile pyrolysis of a Ni-MOF, and its catalytic hydrogenolysis performance towards C–O bonds in lignin was evaluated in detail using diphenyl ether (DPE) as a model compound.
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Automated generation of photochemical reaction data by transient flow experiments coupled with online HPLC analysis

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React. Chem. Eng., 2020, 5,912-920
DOI: 10.1039/D0RE00066C, Paper
Christian P. Haas, Simon Biesenroth, Stephan Buckenmaier, Tom van de Goor, Ulrich Tallarek
Competing homo- and crossdimerization reactions between coumarin and 1-methyl-2-quinolinone are investigated by transient continuous-flow experiments combined with online HPLC, enabling the generation and acquisition of large reaction data sets.
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Synthesis of 3-trifluoromethylated 1,3-butadienes via a Pd(0)-catalyzed fluorinated Heck reaction

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React. Chem. Eng., 2020, 5,961-966
DOI: 10.1039/D0RE00093K, Paper
Yang Li, Meng Hao, Ming Xia, Ning Sun, Cai-Lin Zhang, Wen-Qing Zhu
1,3-Butadienes play a key role in modern synthetic chemistry and biochemistry because they are well-known precursors for the synthesis of retinoids.
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Assessing the impact of deviations in optimized multistep flow synthesis on the scale-up

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React. Chem. Eng., 2020, 5,838-848
DOI: 10.1039/D0RE00025F, Perspective
M. K. Sharma, J. Raval, Gwang-Noh Ahn, Dong-Pyo Kim, A. A. Kulkarni
This manuscript highlights the unavoidable connection between manual and self-optimized flow synthesis protocols for multistep flow synthesis and its scale-up.
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NH3-SCR of NO with novel active, supported vanadium-containing Keggin-type heteropolyacid catalysts

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React. Chem. Eng., 2020, 5,935-948
DOI: 10.1039/D0RE00033G, Paper
Anna Bukowski, Leonhard Schill, David Nielsen, Susanne Mossin, Anders Riisager, Jakob Albert
Supported vanadium-substituted Keggin polyoxometalates (POMs) were applied as catalysts for the selective catalytic reduction of NO using NH3 as reductant (NH3-SCR).
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Multitask prediction of site selectivity in aromatic C–H functionalization reactions

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React. Chem. Eng., 2020, 5,896-902
DOI: 10.1039/D0RE00071J, Paper
Open Access
Thomas J. Struble, Connor W. Coley, Klavs F. Jensen
Aromatic C–H functionalization reactions are an important part of the synthetic chemistry toolbox.
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Optimization of the direct synthesis of dimethyl ether from CO2 rich synthesis gas: closing the loop between experimental investigations and model-based reactor design

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React. Chem. Eng., 2020, 5,949-960
DOI: 10.1039/D0RE00041H, Paper
Open Access
Nirvana Delgado Otalvaro, Markus Kaiser, Karla Herrera Delgado, Stefan Wild, Jörg Sauer, Hannsjörg Freund
Kinetic modeling, model-based optimization and experimental validation for the direct DME synthesis.
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Sustainable chemo-enzymatic preparation of enantiopure (R)-β-hydroxy-1,2,3-triazoles via lactic acid bacteria-mediated bioreduction of aromatic ketones and a heterogeneous “click” cycloaddition reaction in deep eutectic solvents

By pubs.rsc.org
Published On ::

React. Chem. Eng., 2020, 5,859-864
DOI: 10.1039/D0RE00067A, Communication
Paola Vitale, Francesco Lavolpe, Francesca Valerio, Mariaelena Di Biase, Filippo Maria Perna, Eugenia Messina, Gennaro Agrimi, Isabella Pisano, Vito Capriati
A chemo-enzymatic strategy for the preparation of enantiopure (R)-β-hydroxy-1,2,3-triazoles using a lactic acid bacterium as a whole-cell biocatalyst and a heterogeneous “click” cycloaddition reaction in deep eutectic solvents is disclosed.
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Catalyst Acquisition by Data Science (CADS): a web-based catalyst informatics platform for discovering catalysts

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React. Chem. Eng., 2020, 5,903-911
DOI: 10.1039/D0RE00098A, Paper
Jun Fujima, Yuzuru Tanaka, Itsuki Miyazato, Lauren Takahashi, Keisuke Takahashi
An innovative web-based integrated catalyst informatics platform, Catalyst Acquisition by Data Science (CADS), is developed for use towards the discovery and design of catalysts.
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Nano-TiO2 promoted CaO-based high-temperature CO2 sorbent: Role of crystal level properties on efficiency of the CO2 sorption

By pubs.rsc.org
Published On ::

React. Chem. Eng., 2020, Accepted Manuscript
DOI: 10.1039/D0RE00124D, Paper
Sanat Chandra Maiti, Chinmay Ghoroi
This work investigates the multi-cycle CO2 sorption, and the kinetics of the carbonation reaction of nano-TiO2 promoted CaO synthesized from commercially available micron size CaCO3. The morphology of the CaCO3...
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Microfluidic strategy for rapid and high-quality control of crystal morphology of explosives

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React. Chem. Eng., 2020, Advance Article
DOI: 10.1039/D0RE00119H, Paper
Jinyu Shi, Peng Zhu, Shuangfei Zhao, Ruiqi Shen, Huanming Xia, Hanyu Jiang, Siyu Xu
A new strategy based on a microfluidic platform is proposed for the rapid and high-quality control of explosives' crystal morphology.
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An automated flow chemistry platform to decouple mixing and reaction times

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React. Chem. Eng., 2020, Advance Article
DOI: 10.1039/D0RE00129E, Communication
Robert W. Epps, Amanda A. Volk, Kameel Abdel-Latif, Milad Abolhasani
We present a flow chemistry platform that decouples precursor mixing rates from reaction time using solely off-the-shelf components. We then utilize this platform towards material-efficient studies of mass transfer-controlled synthesis of inorganic perovskite quantum dots.
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[ASAP] Discovery of Self-Assembling p-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation

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Published On :: Mon, 30 Mar 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c00708


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[ASAP] Fick Diffusion Coefficient Matrix of a Quaternary Liquid Mixture by Molecular Dynamics

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Published On :: Mon, 06 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01625


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[ASAP] Variance of Atomic Coordinates as a Dynamical Metric to Distinguish Proteins and Protein–Protein Interactions in Molecular Dynamics Simulations

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Published On :: Mon, 27 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01191


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[ASAP] Brillouin Spectroscopy as a Suitable Technique for the Determination of the Eutectic Composition in Mixtures of Choline Chloride and Water

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01919


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[ASAP] Vibronic Quantum Beating between Electronic Excited States in a Heterodimer

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01685


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[ASAP] Ultrasmall Gold Nanoparticles Coated with Zwitterionic Glutathione Monoethyl Ester: A Model Platform for the Incorporation of Functional Peptides

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01444


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[ASAP] Proton Propensity and Orientation of Imidazolium Cation at Liquid Imidazole–Vacuum Interface: A Molecular Dynamics Simulation

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.9b11918


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[ASAP] Mechanism and Kinetics of Palladium Nanoparticles Electrochemical Formation onto Glassy Carbon, from a Deep Eutectic Solvent (Reline)

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01014


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[ASAP] Microscopic Understanding of the Effect of Ionic Liquid on Protein from Molecular Simulation Studies

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c02001


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[ASAP] Dual Resolution Membrane Simulations Using Virtual Sites

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Published On :: Fri, 01 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01842


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[ASAP] TLmutation: Predicting the Effects of Mutations Using Transfer Learning

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Published On :: Fri, 01 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c00197


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[ASAP] Electron Paramagnetic Resonance Measurements of Four Nitroxide Probes in Supercooled Water Explained by Molecular Dynamics Simulations

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Published On :: Fri, 01 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c00684


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[ASAP] Ordering and Nonideality of Air–Ionic Liquid Interfaces in Surface Second Harmonic Generation

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Published On :: Mon, 04 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.9b12025


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[ASAP] Computational Investigation of APOBEC3H Substrate Orientation and Selectivity

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Published On :: Mon, 04 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01857


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[ASAP] Elucidating the Molecular Interactions between Uremic Toxins and the Sudlow II Binding Site of Human Serum Albumin

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Published On :: Tue, 05 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c02015


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[ASAP] Quantitative Investigation of Ion Clusters in a Double Salt Ionic Liquid by Both Vibrational Spectroscopy and Molecular Dynamics Simulation

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Published On :: Tue, 05 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01457


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[ASAP] Liquid/Vapor Interface of Dimethyl Carbonate–Methanol Binary Mixtures Investigated by Sum Frequency Generation Vibrational Spectroscopy and Molecular Dynamics Simulation

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Published On :: Wed, 06 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01566


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[ASAP] Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations

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Published On :: Wed, 06 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01740


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[ASAP] Prediction of Amphiphilic Cell-Penetrating Peptide Building Blocks from Protein-Derived Amino Acid Sequences for Engineering of Drug Delivery Nanoassemblies

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Published On :: Thu, 07 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01618


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[ASAP] Bundling Process of Citrulline Polypeptides upon UCST-Type Phase Separation

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Published On :: Fri, 08 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c00934


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[ASAP] Orientational Relaxation of Poly(propylene imine) Dendrimers at Different pH

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Published On :: Fri, 08 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c00536


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[ASAP] Real-Time Visualization and Dynamics of Boron Nitride Nanotubes Undergoing Brownian Motion

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Published On :: Fri, 08 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c03663


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[ASAP] Targeted Delivery of Adamantylated Peptidoglycan Immunomodulators in Lipid Nanocarriers: NMR Shows That Cargo Fragments Are Available on the Surface

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Published On :: Fri, 08 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c00029


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[ASAP] Importance of Intermonomer Couplings of the FMO Complex in Coherently Initiated Dynamics

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Published On :: Fri, 08 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01215


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[ASAP] The Lumi-R Intermediates of Prototypical Phytochromes

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Published On :: Fri, 08 May 2020 04:00:00 GMT

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01059


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This Mother’s Day, the best movies/ shows to watch on Disney+ Hotstar: From ‘Baahubali’ to ‘Badhaai Ho’

By www.thehindu.com
Published On :: Sat, 09 May 2020 15:07:13 +0530

On May 10, here’s a list of Indian movies and TV shows you and your mother can binge together (virtually) — that celebrate the matriarch — and will make the lockdown slightly more bearable


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Live on Instagram: Sona Mohapatra on staying creative during the lockdown

By www.thehindu.com
Published On :: Sat, 09 May 2020 15:22:11 +0530

The singer-songwriter goes live on @thehinduweekend on Saturday, May 9, at 6 pm to talk about staying creative during the lockdown and her new documentary, ‘Shut Up Sona’


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Coronavirus | It’s like 2nd innings of Test match, says Kumble on fight against COVID-19

By www.thehindu.com
Published On :: Sat, 09 May 2020 15:11:37 +0530

Anil Kumble thanked all the health care workers and others who are going on with their work so that everyone else can stay safe at home.


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What is it about us as mothers?

By www.thehindu.com
Published On :: Sat, 09 May 2020 15:22:47 +0530

As Mother's Day approaches, we look at women bearing the double burden of office and house work and now, with the COVID-19 lockdown, enduring extra familial pressure


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  • Life & Style
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Fish in a satin slipper: Dalí’s ‘Les dîners de Gala’

By www.thehindu.com
Published On :: Fri, 08 May 2020 13:06:57 +0530

Dalí’s 1973 cookbook, ‘Les dîners de Gala,’ is a surrealist masterpiece


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Sai Pallavi’s first look in Rana Daggubati’s Telugu film ‘Viraata Parvam’

By www.thehindu.com
Published On :: Sat, 09 May 2020 16:47:05 +0530

In the poster, Sai Pallavi is seen waiting for someone at Martyrs Memorial


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Long before the novel coronavirus, it was Malabar pepper and Maharashtrian ivory that connected Italy to India

By www.thehindu.com
Published On :: Fri, 08 May 2020 16:53:07 +0530

The ancient Pompeii ruins house several evidences of long-standing trade ties between the two countries


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  • History & Culture