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Bigg Boss 16: Nimrat Gets A Warning

The fights start early this season, as Tina Dutta and Archana get into a tiff.




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Bigg Boss 16: Shalin-Nimrat Fight For Captaincy

While Nimrat Kaur Ahluwalia retains her captaincy, Gori Nagori wins the entertainment task.




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Bigg Boss 16: Will Tina's 'Shalin Strategy' Work?

Ten weeks into the show Tina's circle has reduced to just one friend, Shalin Bhanot, and it's pretty evident that she's just using him for the game.





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Gufi Paintal Of Mahabharat Fame Dies

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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Are You Ready For Nimrat, Niyati, Aditi?

After displaying their sense of adventure and fear factor in Romania where the show was shot, the Khatron Ke Khiladi 14 contestants have returned to India.




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Bharat Biotech releases Covaxin Phase-3 trial data, claims 77.8% efficacy

Vaccine also offers 65% protection against Delta variant, according to firm




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At K Sureshkumar’s pedagogical laboratory in Thiruvananthapuram students understand basic concepts of Physics by doing experiments on their own

National award-winning science teacher K Sureshkumar’s pedagogical laboratory in Thiruvananthapuram enables students of high school to conduct experiments in Physics and learn the concepts themselves



  • Life & Style

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Prathap Suthan: Breaking boundaries with bored poetry

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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Farmer’s Share: A celebration of self reliant minimalism

Ambrose Kooliyath’s permaculture farm on the banks of the Nila River thrives on local resources




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Weaving Connections: British designer William Morris’s colonial inspirations

The handcrafted colourful textiles of South Asia appealed immensely to the celebrated 19th-century craftsperson and polymath. A new exhibition of his works highlights these influences




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Quiz on bureaucrats who had other talents

It’s the birth anniversary of poet, playwright and novelist Johann Wolfgang von Goethe, one of the most influential writers in German literature. He was also a civil servant for Karl August, the Grand Duke of Weimar and held many administrative posts. This week, we look at civil servants and bureaucrats who had other talents.




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Tamil poet Subramania Bharati’s English writings and songs find a voice

On his 100th death anniversary on September 11, a new book and a podcast throw light on unknown facets of the literary icon





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Big Reveal: Will Smith-Jada Separated...

Talk show host and actor Jada Pinkett Smith, 52, has revealed she and actor-husband Will Smith, 55, have been separated and have lived 'completely separate lives' since 2016.




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Integration of paper-based analytical devices with digital microfluidics for colorimetric detection of creatinine

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00688G, Paper
Larissa G. Velasco, Danielly S. Rocha, Richard P. S. de Campos, Wendell K. T. Coltro
Digital microfluidics (DMF) is a platform that allows the automated manipulation of individual droplets, ranging from nanoliters to microliters, and coupling sensing techniques can be facilitated by paper-based devices (PAD).
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Towards the rational design of N-(1,3-dimethylbutyl)-N'-phenyl-1,4-benzenediamine (6PPD) electrochemical sensor

Analyst, 2024, 149,5165-5173
DOI: 10.1039/D4AN00973H, Paper
Emily Dominique, Christophe Renault
The strong adsorption of 6PPD onto glassy carbon and its reversible two electron oxidation enables simple and sensitive electrochemical detection with an LOD of 10 nM.
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A new fusion strategy for rapid strain differentiation based on MALDI-TOF MS and Raman spectra

Analyst, 2024, 149,5287-5297
DOI: 10.1039/D4AN00916A, Paper
Jian Song, Wenlong Liang, Hongtao Huang, Hongyan Jia, Shouning Yang, Chunlei Wang, Huayan Yang
A novel feature-extractor-based fusion-assisted machine learning strategy was developed for high accuracy and rapid strain differentiation using MALDI-TOF MS and Raman spectra.
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Surface-enhanced Raman scattering enhancement using a hybrid gold nanoparticles@carbon nanodot substrate for herbicide detection

Analyst, 2024, 149,5277-5286
DOI: 10.1039/D4AN00649F, Paper
Open Access
Naghmeh Aboualigaledari, Anitha Jayapalan, Panesun Tukur, Mengxin Liu, Frank Tukur, Yanling Zhang, Gerald Ducatte, Madan Verma, Janet Tarus, Simona E. Hunyadi Murph, Jianjun Wei
Hybrid nanoparticles composed of gold nanoparticles and carbon nanodots provide great signal amplification in SERS detection of herbicide molecules.
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Storing liquid chromatographic separations on surface energy traps: decoupling the LC and the mass spectrometer

Analyst, 2024, 149,5336-5343
DOI: 10.1039/D4AN00828F, Paper
Timothy T. Salomons, David Simon, Richard Oleschuk
A micro-fractionation device to archive liquid chromatographic separations on an array of surface energy traps.
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Alterations of the chemical profile of cholesterol in cancer tissue as traced with ToF-SIMS

Analyst, 2024, 149,5344-5352
DOI: 10.1039/D4AN01050G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Auraya Manaprasertsak, Julhash U. Kazi, Catharina Hagerling, Kenneth J. Pienta, Per Malmberg, Emma U. Hammarlund
This study uses Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) to analyze cholesterol alterations in cancer tissue, revealing changes in fragmentation and isotopes that suggest potential diagnostic vulnerabilities.
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Microfluidic methods for the diagnosis of acute respiratory tract infections

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00957F, Tutorial Review
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Kan-Zhi Liu, Ganghong Tian, Alex C.-T. Ko, Matthias Geissler, Lidija Malic, Byeong-Ui Moon, Liviu Clime, Teodor Veres
We review emerging methods for the detection of acute respiratory tract infections using microfluidic technologies.
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A simple spectrogram model for high-accuracy spectral calibration of VIPA spectrometers

Analyst, 2024, 149,5455-5462
DOI: 10.1039/D4AN00965G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hao Zhou, Weixiong Zhao, Weihua Cui, Bingxuan Lv, Bo Fang, Nana Yang, Guangfeng Xiang, Weijun Zhang, Lunhua Deng, Weidong Chen
A simple five-parameters spectrogram model for the VIPA spectrometer frequency calibration is developed, which has the advantages of high accuracy, simple setup and easy-to-solve.
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Advancing cerumen analysis: exploring innovative vibrational spectroscopy techniques with respect to their potential as new point-of-care diagnostic tools

Analyst, 2024, 149,5381-5393
DOI: 10.1039/D4AN00868E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Edoardo Farnesi, Matteo Calvarese, Chen Liu, Carl Messerschmidt, MohammadSadegh Vafaeinezhad, Tobias Meyer-Zedler, Dana Cialla-May, Christoph Krafft, Jonas Ballmaier, Orlando Guntinas-Lichius, Michael Schmitt, Jürgen Popp
The study demonstrates the potential of advanced vibrational spectroscopy to reveal the complex molecular composition of cerumen, suggesting its promising application as a non-invasive diagnostic tool for identifying disease-related biomarkers.
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A gold nanomaterial-integrated distance-based analytical device for uric acid quantification in human urine samples

Analyst, 2024, 149,5518-5526
DOI: 10.1039/D4AN01139B, Paper
Tapparath Leelasattarathkul, Thithawat Trakoolwilaiwan, Kawin Khachornsakkul
A simple and low-cost distance-based paper analytical device (dPAD) was combined with gold nanomaterials for uric acid quantification.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Acoustic levitation and manipulation of columns of droplets with integrated optical detection for parallelisation of reactions

Analyst, 2024, 149,5546-5554
DOI: 10.1039/D4AN01096E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ruchi Gupta, Nicholas J. Goddard
In this work, acoustically levitated droplets serve as wells of microtitre plates and are acoustically manipulated to perform chemical and biological reactions in a non-contact fashion.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Generation, manipulation, detection and biomedical applications of magnetic droplets in microfluidic chips

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01175A, Minireview
Chenyang Xu, Huanhuan Shi, Zhongjian Tan, Yun Zheng, Weizheng Xu, Zhengxian Dan, Jiacong Liao, Zhiying Dai, Yali Zhao
This review discusses the formation and manipulation of magnetic droplets on microfluidic chips and classifies related detection techniques. Applications in biomedicine were reviewed. Future development of this emerging field is provided.
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A Novel Light-Harvesting ZIF-9-TCPP as a Promising FRET-based Ratiometric Fluorescence Probe for Sperm Mobility

Analyst, 2024, Accepted Manuscript
DOI: 10.1039/D4AN01305K, Paper
Yi-Xuan Li, Yu-Xuan Dai, Ju-Zheng Wang, Jérôme Chauvin, Xueji Zhang, Serge Cosnier, Robert Marks, Dan Shan
The concentration of zinc ions in semen is significantly correlated to the sperm viability and male fertility. In this work, a reliable ratiometric fluorescence probe (ZIF-9-TCPP) based on the efficient...
The content of this RSS Feed (c) The Royal Society of Chemistry




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CD ratio is not music to their ears



  • A J Vinayak

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Densification of sodium and magnesium aluminosilicate glasses at ambient temperature: structural investigations by solid-state nuclear magnetic resonance and molecular dynamics simulations

Phys. Chem. Chem. Phys., 2024, 26,27348-27362
DOI: 10.1039/D4CP02431A, Paper
Millena Logrado, Yara Hellen Firmo Gomes, Tomiki Inoue, Shingo Nakane, Yoshinari Kato, Hiroki Yamazaki, Akihiro Yamada, Hellmut Eckert
Superposition of 17O triple-quantum magic-angle spinning NMR spectra of 20MgO–20Al2O3–60SiO2 (MAS**) and 20Na2O–20Al2O3–60SiO2 (NAS**) glasses prepared at ambient pressure (AP) and pressurized and decompressed at 25 GPa at room temperature (HP(25)).
The content of this RSS Feed (c) The Royal Society of Chemistry




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Machine-learning-accelerated structure prediction of PtSnO nanoclusters under working conditions

Phys. Chem. Chem. Phys., 2024, 26,27624-27632
DOI: 10.1039/D4CP03769C, Paper
Fanke Zeng, Wanglai Cen
Credible property calculations based on the structure prediction of multi-component catalyst clusters under working conditions via a machine-learning-accelerated genetic algorithm and ab initio thermodynamics approach.
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Electrochemical system of nitrogen-doped TiO2, Fe–N–C, and copper hexacyanoferrate electrodes for photo-assisted energy conversion in acidic wastewater treatment

Phys. Chem. Chem. Phys., 2024, 26,27498-27509
DOI: 10.1039/D4CP02063D, Paper
Bianca Tainá Ferreira, Matheus Martins, Fritz Huguenin
This study examines the electrochemical performance of nitrogen-doped TiO2, Fe–N–C, and CuHCF electrodes for energy conversion in acidic solution neutralization, capturing 62.9 kJ per mole of protons.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Simulated conformality of atomic layer deposition in lateral channels: the impact of the Knudsen number on the saturation profile characteristics

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP00131A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Christine Gonsalves, Jorge A. Velasco, Jihong Yim, Jänis Järvilehto, Ville Vuorinen, Riikka L. Puurunen
Systematic analysis of saturation profile characteristics allowed development of an extended slope method that relates the slope of the adsorption front to the sticking coefficient for any Knudsen number.
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Strategy for predicting catalytic activity of catalysts with hierarchical nanostructures

Phys. Chem. Chem. Phys., 2024, 26,27371-27381
DOI: 10.1039/D4CP03102D, Paper
Zidi Zhu, Daoming Huan, Jingchao Yuan, Dan Zhang, Aijun Li, Jiujun Zhang
This study constructs a multiphysics model that successfully replicates experimental results, introducing an improved Thiele modulus to enhance the prediction of catalytic activity in hierarchical nanostructured SOFC electrodes.
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Structural insights into carboxylic-acid based DES across H-bond donor ratios: impact of CL&Pol refinement

Phys. Chem. Chem. Phys., 2024, 26,27486-27497
DOI: 10.1039/D4CP03233K, Paper
Jon Zubeltzu, Elixabete Rezabal
Improved force field parameters refine H-bond network and long-range structure in carboxylic-acid-based deep eutectic solvents.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Unveiling the potential of aluminum-decorated 3D phosphorus graphdiyne as a catalyst for N2O reduction

Phys. Chem. Chem. Phys., 2024, 26,27677-27683
DOI: 10.1039/D4CP02686A, Paper
Shehzad Ahmed, Adnan Ali Khan, Danish Khan, Awais Ghani, Rashid Ahmad, Tian Xiaoqing, Imran Muhammad
This study reveals the exceptional reactivity and efficiency of 3D-Al/PGDYN catalysts for the reduction of N2O and CO with minimal energy barriers.
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Effects of oxidizer concentration and abrasive type on interfacial bonding and material removal in 4H-SiC polishing processes

Phys. Chem. Chem. Phys., 2024, 26,27791-27806
DOI: 10.1039/D4CP03544E, Paper
Yuqi Zhou, Kezhong Xu, Yuhan Gao, Ziniu Yu, Fulong Zhu
Two different modes of material removal are defined based on the difference in the mode of atom removal, i.e., mechanical removal and removal associated with interfacial bonding.
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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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DFT rationalization of the mechanism and selectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01700E, Paper
Guowei Yan, Ji Ma, Simeng Qi, Alexander M. Kirillov, Lizi Yang, Ran Fang
The mechanism, regioselectivity, and chemoselectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols to give furan-3-carboxylate derivatives were explored by density functional theory (DFT).
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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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Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03825H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Alexander Schäfer, Samuele Giannini, Dmitry Strelnikov, Theresa Mohr, Fabrizio Santoro, Javier Cerezo, Manfred M. Kappes
Theoretical and experimental spectroscopy of crystal violet resolves the influence of temperature and symmetry breaking on absorption properties in different environments.
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Prediction of high-temperature superconductors at ambient pressure with diamond-like structures: B2CX (X = N, P)

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03755C, Paper
Yi Wan, Ying-Jie Chen, Shu-Xiang Qiao, Kai-Yue Jiang, Guo-Hua Liu, Na Jiao, Ping Zhang, Hong-Yan Lu
We predict B2CX (X = N, P) are standard phonon-mediated superconductors with Tc = 44.3–46.1 K, higher than most diamond-like superconductors. Coupling between metallic σ electrons and softened E phonons contributes greatly to their superconductivity.
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A hydrogen passivation strategy for the electrocatalytic chlorine evolution reaction on metal–organic frameworks: a theoretical insight

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03153A, Paper
Jiake Fan, Lei Yang, Hui Li, Zijian Sun, Mengyun Mei, Weihua Zhu
The chlorine evolution reaction (CER) is a crucial solution for treating chlorine-containing wastewater, a type of wastewater generated during the chemical production process.
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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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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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