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Increasingly threaded polypseudorotaxanes with reduced enthalpies of melting

By pubs.rsc.org
Published On ::

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01006J, Communication
He Sun, Sean R. Gitter, Kiana A. Treaster, Joshua D. Marquez, Brent S. Sumerlin, Kenneth B. Wagener, Austin M. Evans
We used acyclic diene metathesis (ADMET) chemistry to prepare variably threaded pseudopolyrotaxanes. We find that the melting enthalpy decreases as the number density of macrocycles is increased.
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Synthesis of degradable polyester with high molecular weight and excellent mechanical properties through copolymerization modification of poly(butylene succinate)

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Polym. Chem., 2024, 15,4570-4579
DOI: 10.1039/D4PY01050G, Paper
Hongji Wang, Xiaojun Ma, Hanyu Yao, Haohao Chang, Yin Lv, Zhong Wei
The degradable copolymer of polybutylene succinate (PBS) modified with tricyclodecane dimethanol (TCD) presented significantly enhanced tensile strength and elongation at break.
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Composition-dependent emission colors for biomass-based main-chain luminescent liquid crystalline copolyesters with excellent tensile properties

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Published On ::

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00946K, Paper
Wei Wang, Jing Wang, Wenting Li, Guangjian Liao, Yuan Qiu, Guochuan Yin, Yonggui Liao, Xiaolin Xie
The emission colors of high-performance MCLCPs with biomass-based bifuran and AIE-active cyanostilbene units can be tuned by the composition from blue to cyan, and then to green. Upon UV exposure, the thin film can undergo an emission color change.
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Eugenol-based polyester and its bamboo fiber composite with enhanced mechanical and anti-ultraviolet properties

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Published On ::

Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00998C, Paper
Meiran Xie, Qiubo Wang, Xinyu Hu, Shuyao Wang, Ruyi Sun, Xiaojuan Liao
Eugenol (UG) is a sustainable allyl-substituted guaiacol that easily becomes the monomers for acyclic diene metathesis (ADMET) polymerization. Nevertheless, the ADMET polymers usually have a moderate molecular weight and poor...
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Metal–organic frameworks: potential synergies with cold atmospheric plasmas for cancer control

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Published On ::

J. Mater. Chem. B, 2024, 12,10770-10785
DOI: 10.1039/D4TB00968A, Review Article
Xiaofeng Dai, Yixuan Yang
MOFs can act as cargo-carriers, nano-enzymes, and magnetic MOFs. CAPs, interacting with cell receptors to generate primary and secondary 1O2, may synergize with MOFs for oncotherapy via acting as cargos, substrates, and magnetic sensing agents.
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Intrafibrillar Calcium Carbonate Mineralization of Electrospinning Polyvinyl Alcohol/Collagen Films with Improved Mechanical and Bioactive Properties

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB01472C, Paper
Yin Liu, Xin Gao, Yuqi Li, Anqi Gao, Zhuozhi Zheng, Jingjiang Wei, Hongye Yang, Hang Ping, Hao Xie, Hao Wang, Weiming Wang, Zhengyi Fu
Collagen films play an essential role in guided bone regeneration (GBR) techniques, which creat space, promote cell adhesion, and induce osteogenic differentiation. It is therefore crucial to design appropriate GBR...
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Drug-delivery and biological activity in colorectal cancer of a supramolecular porous material assembled from heptameric chromium-copper-adenine entities

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J. Mater. Chem. B, 2024, 12,11156-11164
DOI: 10.1039/D4TB01521E, Paper
Sandra Mena-Gutiérrez, Ekain Maiza-Razkin, Jon Pascual-Colino, Marcos J. Araúzo-Bravo, Garikoitz Beobide, Oscar Castillo, Ainara Castellanos-Rubio, Daniela Gerovska, Antonio Luque, Sonia Pérez-Yáñez
Supramolecular metal-organic porous materials as drug delivery systems, modulation of the release kinetics using cholesterol as pore blocking agent and its impact on colorectal cancer cell cultures: cytotoxicity and RNA-seq transcriptomics studies.
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Functionalities of pH-responsive DNA nanostructures in tumor-targeted strategies

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J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01883D, Review Article
Liyue Wen, Min Wang
Design and application of various pH-responsive DNA nanostructures for tumor-targeted strategies toward extracellular and intracellular environments are comprehensively reviewed. Their potential and challenges are also critically discussed.
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Pix: Devoleena Marries Her Gym Trainer

By www.rediff.com
Published On :: Thu, 15 Dec 2022 13:42:43 +0530

Television actor Devoleena Bhattacharjee got married to her gym trainer boyfriend Shahnawaz Sheikh in a private ceremony in Mumbai.


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Bigg Boss' Sapna's 'Lifetime' Memories

By www.rediff.com
Published On :: Tue, 23 May 2023 16:29:01 +0530

For her second outing, she picked a Ruby Fang knee-length white dress with a silver cape.


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Gufi Paintal Of Mahabharat Fame Dies

By www.rediff.com
Published On :: Mon, 05 Jun 2023 15:24:16 +0530

Gufi Paintal, best known for playing Shakuni mama in the epic television serial Mahabharat, died on Monday at a Mumbai hospital due to age-related issues. He was 79.


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Unlock the marine mysteries

By www.thehindu.com
Published On :: Sat, 29 Oct 2016 17:00:06 +0530

Dive into the blue sea and explore its depths as a marine biologist.


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Prathap Suthan: Breaking boundaries with bored poetry

By www.thehindubusinessline.com
Published On :: Fri, 09 Jul 2021 14:01:08 +0530

The adman’s day dawns with verses on topical concerns. They are my sunrise, he says, after completing six years of the exercise


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Plant humanities: A discipline takes shape

By www.thehindubusinessline.com
Published On :: Fri, 23 Jul 2021 11:31:12 +0530

The words buzz in my head: Plants, pollinators, medicinal cannibalism, history of transplanted trees and bodies... And I wish for educators to use this slant of thinking into their curriculum


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‘I make a conscious effort to seek out women’s stories... men’s voices are easily heard’

By www.thehindubusinessline.com
Published On :: Tue, 03 Aug 2021 13:55:00 +0530

American translator Daisy Rockwell on introducing Usha Priyamvada’s ‘Fifty-Five Pillars, Red Walls’ — a novel that had fell by the wayside — to a new generation of readers in English


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Streaming a new reality: Malayalam movies in the OTT world

By www.thehindubusinessline.com
Published On :: Thu, 26 Aug 2021 10:14:04 +0530

The industry has responded to the pandemic in creative ways and, in the bargain, gained a new audience as well as a generation of actors who do not walk formulaic paths


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Golden Globes 2018: Shape Of Water, Dunkirk, Big Little Lies lead nominations

By www.rediff.com
Published On :: Mon, 11 Dec 2017 20:05:37 +0530

Other nominations include Dunkirk, The Post and I, Tonya.


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Golden Globes 2018: Big Little Lies wins

By www.rediff.com
Published On :: Mon, 08 Jan 2018 10:42:04 +0530

The 2018 winning list, right here.


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BAFTAs: Check what movies made it

By www.rediff.com
Published On :: Tue, 09 Jan 2018 16:04:35 +0530

Sally Hawkins, we think, will pip Frances McDormand.


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  • NameDarkest HourDunkirkThe Shape of WaterThree Billboards Outside of Ebbing
  • IMAGE
  • Missouri
  • Tonya
  • Vanessa TaylorThree Billboards Outside of Ebbing
  • Darkest HourThe Death of StalinGod
  • BAFTA
  • HoytemaThe Shape of Water
  • Phantom ThreadOctavia Spencer
  • James IvoryThe Death
  • Hans ZimmerPhantom Thread
  • Daniel Day Lewis
  • Your NameChristopher Nolan
  • Jonny GreenwoodThe Shape
  • TonyaKristin Scott Thomas
  • Steven RogersLady Bird
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GoodFellas' Ray Liotta dies

By www.rediff.com
Published On :: Fri, 27 May 2022 10:19:16 +0530

He died in his sleep in the Dominican Republic, where he was shooting the film Dangerous Waters.


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2 Days After Globes, Elvis' Daughter Dies

By www.rediff.com
Published On :: Fri, 13 Jan 2023 10:33:40 +0530

She was at the Golden Globes on Tuesday, January 10, 2023, on hand to celebrate Austin Butler's award for playing her father.


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Now, Watch Harry Potter TV Series!

By www.rediff.com
Published On :: Thu, 13 Apr 2023 12:18:49 +0530

Here's some good news for all Potterheads.


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Who Should Play Vin Diesel's Sister?

By www.rediff.com
Published On :: Wed, 27 Mar 2024 11:50:10 +0530

The Hollywood actor wants suggestions.


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The Voice of Darth Vader Dies

By www.rediff.com
Published On :: Tue, 10 Sep 2024 11:57:12 +0530

Legendary actor James Earl Jones, who voiced Darth Vader in Star Wars, passed away at his home in Dutchess County, New York. He was 93.


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Phenoxy-1,2-dioxetane-Based Activatable Chemiluminescent Probes: Tuning of Photophysical Properties for Tracing Enzymatic Activities in Living Cells

By pubs.rsc.org
Published On ::

Analyst, 2024, Accepted Manuscript
DOI: 10.1039/D4AN01082E, Critical Review
Open Access
Jagpreet Singh Sidhu, Gurjot Kaur, Atharva Rajesh Chavan, Mandeep Chahal, Rajeev Taliyan
The use of chemiluminophores for tracing enzymatic activities in live-cell imaging has gained significant attention, making them valuable tools for diagnostic applications. Among various chemiluminophores, the phenoxy-1,2-dioxetane scaffold exhibits significant...
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Impact of blue light on cutaneous barrier structures and properties: NPLC/HR-MSn and Raman analyses

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01244E, Paper
Léa Habib, Rime Michael-Jubeli, Marie Abboud, Roger Lteif, Ali Tfayli
Blue light alters lipids and proteins in the reconstructed human epidermis.
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Magneto-optical properties of heavily Fe-doped GaAs: a density functional approach

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27510-27518
DOI: 10.1039/D4CP03101F, Paper
J. Zarpellon, D. H. Mosca, J. Varalda
Heavily Fe-doped GaAs, investigated using a DFT approach, reveals a spin polarized electronic band structure correlated with magnetic circular dichroism and complex Kerr and Faraday rotation angles in agreement with some previous experiments.
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Structural and sorption characteristics of an aerogel composite material loaded with flufenamic acid: insights from MAS NMR and high-pressure NOESY studies

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27301-27313
DOI: 10.1039/D4CP03217A, Paper
Valentina V. Sobornova, Valeriya V. Mulloyarova, Konstantin V. Belov, Alexey A. Dyshin, Peter M. Tolstoy, Mikhail G. Kiselev, Ilya A. Khodov
The structural and sorption characteristics of a composite material consisting of a silica aerogel loaded with flufenamic acid were investigated using a variety of nuclear magnetic resonance techniques.
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Comparing coupled cluster and composite quantum chemical methods for computing activation energies and reaction enthalpies of radical propagation reactions

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27536-27543
DOI: 10.1039/D4CP03676J, Paper
Timothy B. Huber, Ralph A. Wheeler
The accuracy of DLPNO-CCSD(T)/CBS and composite methods G3(MP2)-RAD and CBS-RAD is assessed against CCSD(T)/aug-cc-pVTZ for activation energies and reaction enthalpies in hydrocarbon radical addition reactions relevant to free radical polymerization.
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An in-depth investigation of lead-free KGeCl3 perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27704-27734
DOI: 10.1039/D4CP02974G, Paper
Md. Tarekuzzaman, Mohammad Hasin Ishraq, Md. Shahazan Parves, M. A. Rayhan, Sohail Ahmad, Md. Rasheduzzaman, K A Al Mamun, M. Moazzam Hossen, Md. Zahid Hasan
Crystal structure of KGeCl3 and the design configuration of the KGeCl3-based PSC.
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First-principles study on the lithiation process of amorphous SiO anode for Li-ion batteries with Bayesian optimization

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27561-27566
DOI: 10.1039/D4CP02533D, Paper
Ryoya Shintaku, Tomoyuki Tamura, Shogo Nogami, Masayuki Karasuyama, Takakazu Hirose
Bayesian optimization allows theoretical investigation of the lithiation process of amorphous SiO anode materials for lithium (Li) ion batteries (LIBs).
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Impact of valley degeneracy on the thermoelectric properties of zig-zag graphene nanoribbons with staggered sublattice potentials and transverse electric fields

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27591-27601
DOI: 10.1039/D4CP03178D, Paper
David M. T. Kuo
This study investigates the band inversion of flat bands in zig-zag graphene nanoribbons (ZGNRs) using a tight-binding model.
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Exploring the valleytronic, optical, and piezoelectric properties of Janus MoBXY2 (X = N, P; Y = S, Se, Te) monolayers for multifunctional applications

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03793F, Paper
Luogang Xie, Lingli Wang, YanDong Ma, Hongyan Lu, Yang Yang
Unveiling novel Janus MoBXY2 monolayers with unique valleytronic, optical, and piezoelectric properties for multifunctional applications.
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Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02296C, Paper
Open Access
Matteo Palluzzi, Giorgia Mannucci, Akiko Tsurumaki, Matteo Busato, Maria Assunta Navarra, Paola D’Angelo
An anion–anion attraction was inferred from the thermal behavior of oxalate-borate ionic liquids and confirmed through computational methods.
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Exploring the electrochemical properties and lithium insertion mechanisms in akaganeite (β-FeOOH) – a combined DFT/experimental study

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02947J, Paper
Paulo Roberto Garcês Gonçalves, Heitor Avelino De Abreu, Luciano Andrey Montoro, Gabriela Cordeiro Silva, Angela de Mello Ferreira, Hélio Anderson Duarte
Unveiling the unique charge/discharge characteristics of akaganeite offers valuable insights into electron transfer mechanisms through experimental and DFT calculations.
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First-principles study on stability, electronic and optical properties of 2D SbXY (X=Se/Te, Y=I/Br)Janus layers

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP04077E, Paper
Anjana E Sudheer , Amrendra Kumar, Tejaswini G, Muthu Vallinayagam, Matthias Posselt, Matthias Zschornak, Chinnathambi Kamal, D. Murali
Motivated by the exceptional optoelectronic properties of 2D Janus layers (JLs), we explore the properties of group Va antimony-based JLs SbXY (X=Se/Te, Y=I/Br). From the Bader charges, the elec-tric dipole...
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Insight into the potential of M–NbS2 (M = Pd, Ti and V) monolayers as anode materials for alkali ion (Li/Na/K) batteries

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03744H, Paper
Meixia Xiao, Shuling Xu, Haiyang Song, Zhifei Sun, Jiaying Bi, Beibei Xiao
First-principles calculations were conducted to explore the effects of Pd, Ti and V doping on the performance of NbS2 monolayers as electrode materials for alkali ion batteries.
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A Comprehensive Guide for Accurate Conformational Energies of Microsolvated Li+ Clusters with Organic Carbonates

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03487B, Paper
Arseniy A. Otlyotov, Andrey Moshchenkov, Timofey P. Rozov, Anna A. Tuma, Alexander S. Ryzhako, Yury Minenkov
Organic carbonates and their mixtures are frequently used in electrolyte solutions in lithium-ion batteries. Rationalization and tuning of the related Li+ solvation processes are rooted in the proper identification of...
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Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03677H, Paper
Francielle C Machado, Mateus M Quintano, Carlos Vital dos Santos Junior, Albano Carneiro Neto, Elfi Kraka, Ricardo Luiz Longo, Renaldo Tenorio Moura Jr.
{This study provides new theoretical insights into the vibrational spectra of Ln(III) complexes, along the lanthanide series by utilizing the LModeAGen protocol and integrating cutting-edge topological ideas. It provides a...
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Structural Distortion Driven Polaronic Transport and Table-like Magnetocaloric Properties in Polycrystalline Tb0.7Sr0.3MnO3 compound

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03760J, Paper
Dipak Mazumdar, I. Das, Kalipada Das
This research mainly explores the structural, magnetic, magneto-transport, and magnetocaloric properties of the polycrystalline Tb0.7Sr0.3MnO3 compound. The results reveal a significant modification of the compound’s ground state with increasing the...
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Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03303E, Paper
Eline Desmedt, Michiel Jacobs, Mercedes Alonso, Freija De Vleeschouwer
The NLO response of hexaphyrins is traced back to its driving forces using kernel ridge regression and explainable machine learning. Orbital and charge-transfer based features play a key role, as opposed to aromaticity and geometrical descriptors.
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Uniaxial Tensile Strain Impact on 1T-NbS2 Monolayers as Cathode Material for Lithium-Sulfur Batteries

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03156C, Paper
Shanling Ren, Xiaocong Tan, Xin Huang, zhihong yang, Yunhui Wang
In this work, we report our study on asymmetrical Janus TiSSe monolayers as cathode materials for lithium-sulfur batteries by first-principles calculations, encompassing adsorption, catalytic, and conductive properties. The results indicate...
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Extraction mechanism of phenolic compounds by deep eutectic solvents: DFT and molecular dynamics studies

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03453H, Paper
Lan Yi, Jinwen Wang, Jixing Liu, Hao Luo, Xiaoqin Wu, Wen-Ying Li
The mechanism of a deep eutectic solvent consisting of choline chloride and glycerol (ChCl/GLY) for extracting phenolic compounds from coal tar was theoretically studied using density functional theory and molecular...
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Chennai | Memories and mothers are the centre of this exhibition-performance by Nimi Ravindran

By www.thehindu.com
Published On :: Thu, 24 Oct 2024 07:56:48 +0530

Nimi Ravindran decides to open her Pandora’s box to mediate on memories and mothers at this exhibition-performance 


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The Lab in Goa spotlights cocktails with stories and local culture

By www.thehindu.com
Published On :: Fri, 01 Nov 2024 15:04:33 +0530

Tucked into a new boutique hotel, Amaraanth, The Lab is Goa’s latest cocktail address. Try red amaraanth, a local curry and sarsaparilla in cocktails with meaningful backstories that spotlight the local culture


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From balanced meal bowls to DIY kits for parties, these Chennai brands are putting a spin on eating healthy

By www.thehindu.com
Published On :: Wed, 06 Nov 2024 17:12:37 +0530


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