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Bigg Boss 16: Juicy Gossip Coming UP!

Thursday's episode of Bigg Boss was a yawnfest with hardly any entertainment. No fights, no naach-gaana, no masti.




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BB16: Sumbul Wants To Become Captain

Now that there's a new captain, will we see new alliances in Bigg Boss 16?




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Actor Tunisha Sharma commits suicide on TV show set

Sharma went to the washroom on the set and did not return for a long time. When the door was broken down, she was found hanging inside, he said.




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Munawar's Sea Of Fans Welcome Him Home

'My fans always supported me and whenever I was left behind, they pulled me by holding my hand, so I am very grateful.'





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When the warrior becomes the worrier

The leader in the post-Covid-19 world faces the same dilemma Arjuna did — the knowledge-action gap




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Quiz on comedians

It’s Johnny Lever’s birthday — perfect time for a quiz on humorists




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Comforting common sense, woman to woman

A companionable book filled with personal advice shared with honesty




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Conquering Everest: A compelling account of how an impossible dream was achieved

Jim Davidson dwells in detail on the failure to make it in the first attempt and the harrowing return to physically and emotionally draining climb up scale the highest summit in the world








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Rapid quantification of disaccharide isomers by derivatization in combination with ion mobility spectrometry in beer and milk

Analyst, 2024, 149,5298-5305
DOI: 10.1039/D4AN00995A, Paper
Keqi Ye, Jiacheng Ye, Yinghua Yan, Chuan-Fan Ding
This work introduces rapid quantification of disaccharide isomers by derivatization in combination with ion mobility spectrometry in beer and milk.
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A novel electrochemiluminescent sensor based on AgMOF@N-CD composites for sensitive detection of trilobatin

Analyst, 2024, 149,5265-5276
DOI: 10.1039/D4AN01102C, Paper
Longmei Yao, Xue Mei, Jiajia Zhi, Wenchang Wang, Qingyi Li, Ding Jiang, Xiaohui Chen, Zhidong Chen
In this study, a novel electrochemiluminescent (ECL) sensor for highly sensitive detection of trilobatin (Tri) was developed based on silver metal–organic frameworks (AgMOFs) and nitrogen-doped carbon quantum dots (N-CDs).
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Detection of several volatile organic compounds through Ar+ induced chemical ionisation using inductively coupled plasma-tandem mass spectrometry (ICP-MS/MS)

Analyst, 2024, 149,5174-5183
DOI: 10.1039/D4AN00996G, Paper
Takafumi Hirata, Kyoko Kobayashi, Hui Hsin Khoo, Osamu Shikino, Hisashi Asanuma
A new analytical technique for detection of organic compounds using inductively coupled plasma-tandem mass spectrometry (ICP-MS/MS) is described.
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Analysis of blue and green REACH compliant tattoo inks

Analyst, 2024, 149,5329-5335
DOI: 10.1039/D4AN00793J, Paper
Kelli Moseman, Sasha Noble, Sage Sanders, Huiyuan Guo, John R. Swierk
REACH legislation in Europe has banned the use of Pigment Blue 15:3 and Pigment Green 7 in tattoo inks and permanent makeups and requires all labels include an accurate list of ingredients.
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Ti-based MOF nanosheets as a mass spectrometry imaging matrix for low molecular weight compounds to reveal the spatiotemporal content changes of hepatotoxic components during the processing of Polygonum multiflorum

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00964A, Paper
Feng-yan Kuang, De-jun Hu, Lu Wang, Fei Chen, Guang-ping Lv
The selection of the matrix is crucial for matrix assisted laser desorption ionization mass spectrometry imaging (MALDI-MSI).
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Selection of DNA aptamers for detecting metronidazole and ibuprofen: two common additives in soft drinks

Analyst, 2024, 149,5482-5490
DOI: 10.1039/D4AN01186D, Paper
Jin Wang, Xiangmei Li, Hongtao Lei, Juewen Liu
Using capture-SELEX, short aptamers for metronidazole and ibuprofen were isolated and they can be used for the detection of these drugs illicitly added to soft drinks.
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Effects of media composition and light exposure on the electrochemical current response during scanning electrochemical microscopy live cell imaging

Analyst, 2024, 149,5555-5562
DOI: 10.1039/D4AN01075B, Paper
Nikita Thomas, Mengzhen Lyu, Jadon Khouv, Dhésmon Lima, Sabine Kuss
The cellular electrochemical current response is impacted by media composition and light exposure during scanning electrochemical microscopy (SECM).
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An improved cancer diagnosis algorithm for protein mass spectrometry based on PCA and a one-dimensional neural network combining ResNet and SENet

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00784K, Paper
Liang Ma, Wenqing Gao, Xiangyang Hu, Dongdong Zhou, Chenlu Wang, Jiancheng Yu, Keqi Tang
An improved cancer diagnosis algorithm for protein mass spectrometry based on PCA and 1D neural network combining ResNet and SENet is proposed and successfully applied to the diagnosis of ovarian cancer with high accuracy and strong fitting ability.
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α-MnO2 catalysts with efficient ozone-catalyzed decomposition under high humidity conditions

Analyst, 2024, Accepted Manuscript
DOI: 10.1039/D4AN01095G, Paper
Jiafan Ji, Qianqian Yan, Yi Chen, Gaosheng Zhao, Bin Jia, Li Xu, Ping Cheng
Ground-level ozone pollution poses significant risks to both ecosystems and human health, necessitating the implementation of effective control strategies. This investigtion concentrated on a monolithic ozone degradation catalyst composed of...
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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

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

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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Hydrogen bond network structures of protonated 2,2,2-trifluoroethanol/ethanol mixed clusters probed by infrared spectroscopy combined with a deep-learning structure sampling approach: the origin of the linear type network preference in protonated fluoroal

Phys. Chem. Chem. Phys., 2024, 26,27751-27762
DOI: 10.1039/D4CP03534H, Paper
Po-Jen Hsu, Atsuya Mizuide, Jer-Lai Kuo, Asuka Fujii
Infrared spectroscopy combined with a deep-learning structure sampling approach reveals the origin of the unusual structure preference in protonated fluorinated alcohol clusters.
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Hydrogen tunneling with an atypically small KIE measured in the mediated decomposition of the Co(CH3COOH)+ complex

Phys. Chem. Chem. Phys., 2024, 26,27741-27750
DOI: 10.1039/D4CP02722A, Paper
Open Access
Simon U. Okafor, Gabriele Pinto, Michael Brdecka, William Smith, Tucker W. R. Lewis, Michael Gutierrez, Darrin J. Bellert
Rate-limiting hydrogen/deuterium tunneling rate constants are measured in the photon initiated decay of Co(CH3COOH)+ with small KIE values.
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A combination of experimental and theoretical methods in evaluating triazole derivatives' mild steel corrosion inhibition ability in an acidic solution

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03537B, Paper
Ngo Hong Cat Van, Nguyen Quang Trung, Pham Dinh Tu Tai, Pham Cam Nam, Dinh Quy Huong
The introduction of many nitrogen heteroatoms into inhibitor molecules improves corrosion inhibition efficiency.
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Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03392B, Paper
Yi Huang, Changqing Lin, Yang Xue, Bingyuan Huang, Dan Huang
Former studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments...
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Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization

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

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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Investigation on the combustion mechanism for NF3/H2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03014A, Paper
Yinhua Ma, Dongmei Mu, Meiheng Lv, Nan Wang, Huaxin Liu, Fangjian Shang, Jianyong Liu
Combustion-driven deuterium fluoride/hydrogen fluoride (DF/HF) lasers are a crucial type of chemical lasers.
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A Comprehensive Guide for Accurate Conformational Energies of Microsolvated Li+ Clusters with Organic Carbonates

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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Self-Healing in Dielectric Capacitors: a Universal Method to Computationally Rate Newly Introduced Energy Storage Designs

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03988B, Paper
Nadezhda Andreeva, Vitaly V. Chaban
Metalized-film dielectric capacitors provide lump portions of energy on demand. While the capacities of various capacitor designs are comparable in magnitude, their stabilities make a difference. Dielectric breakdowns – micro-discharges...
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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

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

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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Investigating Ni nanoparticles on CeO2 for methane dissociation: a comparative study of theoretical calculations and experimental insights

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01324G, Paper
Takaya Fujisaki, Yuta Tsuji, Phuc Hoan Tu, Tin Chanh Duc Doan, David S. Rivera Rocabado, Aleksandar Tsekov Staykov, Keiji Yashiro, Yusuke Shiratori
CeO2 supported with Ni nanoparticles has emerged as a promising catalyst for enhancing the efficiency of dry reforming of methane (DRM) reaction.
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Intermolecular interaction potential maps from energy decomposition for interpreting reactivity and intermolecular interactions

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03237C, Paper
Amin Kiani, Wentong Zhou, Lawrence M. Wolf
The development and application of intermolecular interaction potential maps to rationalize a range of interactions at the DFT level using suitable probes is described.
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B92: a complete coating icosahedral B12 core-shell structure

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03471F, Communication
Yi-Sha Chen, Jing-Jing Guo, Peng-Bo Liu, Hui-Yan Zhao, Jing Wang, Ying Liu
Using first-principles calculations, this study unveils a spherically aromatic core-shell B12@B80 structure featuring a B12 icosahedral core, which is the minimum complete coating icosahedral B12 core-shell Bn cluster to date....
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Breaking the Brownian Barrier: Models and Manifestations of Molecular Diffusion in Complex Fluids

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP01813C, Perspective
H. Srinivasan, Veerendra Kumar Sharma, Subhankur Mitra
Over a century ago, Einstein formulated a precise mathematical model for describing Brownian motion. While this model adequately explains the diffusion of micron-sized particles in fluids, its limitations become apparent...
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Extraction mechanism of phenolic compounds by deep eutectic solvents: DFT and molecular dynamics studies

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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A composite of pineapple leaf-derived porous carbon integrated with ZnCo-MOF for high-performance supercapacitors

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02882A, Paper
Xiaoxiao Ma, Yunfan Bai, Shuangli Chen, Zhixian He, Pingping Wu, Yabing Qi, Sijing Zhang
Pineapple leaf-derived biochar (PLB) served as a carrier for ZnCo-MOF in the preparation of ZnCo-MOF@PLB-800. The porous structure of PLB reduced ZnCo-MOF aggregation, enhancing electron transfer and the conductivity of the electrode material.
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Anna Samuel’s hyper reality cakes come in the form of biryanis and kappa-meen curry

Anna’s cakes are customised to suit client’s tastes and each is a piece of edible art




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Hyderabad’s physician-musician Dr Bunty has composed for 100 Telugu serials

As a new serial Abhinandana airs on Gemini, Dr Bunty talks about navigating dual vocations




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A documentary, new launches mark Hindustan Trading Company’s 50th anniversary

Hindustan Trading Company turns 50 this week with new products, and a documentary on late founder PN Venketakrishnan



  • Life & Style

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How Studio Saar’s The Third Space in Udaipur spotlights the power of community 

Drawing from Udaipur’s traditional havelis, The Third Space in Udaipur aims at being a space for locals to engage in a range of workshops and activities



  • Life & Style

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World Kindness Day celebration brings community art to Chennai

Chennai celebrates kindness through a 20-feet-wide canvas decorated and painted over three days by more than 1,200 people A celebration of kindness brings Chennai together through community art, shared traditions and meaningful gestures



  • Life & Style

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Banjara Hills is much sought after for commercial and residential spaces

Your property-related queries answered by Karan Rathod of ‘K Valuations’, Begumpet



  • Q & A

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Low oxidation state and hydrido group 2 complexes: synthesis and applications in the activation of gaseous substrates

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D4CS00097H, Review Article
Matthew J. Evans, Cameron Jones
This review summarises advances in the chemistry of low-oxidation state and hydrido group 2 metal complexes, focussing on their use for the reductive activation of feed-stock gaseous small molecules, and their subsequent transformation into value added products.
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