ac

No Emmy for Kevin Spacey

By www.rediff.com
Published On :: Tue, 31 Oct 2017 16:35:35 +0530

Spacey has also been citicised by Star Trek actor, Zachary Quinto, for his 'calculated manipulation to deflect attention from the very serious accusation (of making an unwanted sexual advance)'.


Full Article

ac

BAFTAs 2018: Amy Jackson rubs shoulders with Hollywood

By www.rediff.com
Published On :: Mon, 19 Feb 2018 16:25:32 +0530

The highlights of the glamorous Brit awards, right here.


Full Article

ac

Oscars 2019: Rami Malek wins Best Actor

By www.rediff.com
Published On :: Mon, 25 Feb 2019 15:08:53 +0530

The complete set of winners on Oscar night!


Full Article

  • Mary Poppins Returns
  • Beale Street Could Talk Eric Roth
  • Spike Lee
  • Bohemian RhapsodyPatrick J Don Vito
  • Regina King
  • FavouriteGreen BookRomaA Star Is BornVice
  • Best Live Action Short Film
  • Mary Poppins ReturnsAlexandra Byrne
  • ManEthan Van der Ryn
  • Ballad
  • SZAI
  • Buster ScruggsRuth E Carter
  • Mary Poppins ReturnsEugenio Caballero
  • Best Foreign Language Film
  • Mary Queen of Scots
  • BorderMary Queen of ScotsVice
ac

SEE: Kevin Spacey Case: What Happened

By www.rediff.com
Published On :: Tue, 18 Oct 2022 15:32:39 +0530

Kevin Spacey took the stand as the first witness in his own defence in the sex abuse trial filed against him.


Full Article

ac

Rihanna Dresses Up For Black Panther

By www.rediff.com
Published On :: Fri, 28 Oct 2022 13:17:04 +0530

Black Panther returns to our lives with Wakanda Forever, a new installment in the hit superhero franchise.


Full Article

ac

After Almost Dying, Jeremy Renner's Back

By www.rediff.com
Published On :: Wed, 12 Apr 2023 10:58:47 +0530

On April 11, Hollywood star Jeremy Renner attended the premiere of his series Rennervations in Los Angeles.


Full Article

ac

Amy Jackson Gets Engaged!

By www.rediff.com
Published On :: Tue, 30 Jan 2024 13:29:01 +0530

In the images, Ed can be seen proposing to Amy on bended knee in Switzerland.


Full Article

ac

Amy Jackson-Ed Westwick Attend BAFTA

By www.rediff.com
Published On :: Mon, 19 Feb 2024 12:24:36 +0530

The 2024 British Academy of Film and Television Awards (BAFTA) were held at the Royal Festival Hall in the Southbank Centre, London, and saw its share of the good and the bad.


Full Article

ac

The impact of gas purity on observed reactivity with NO using inductively coupled plasma tandem mass spectrometry

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01227E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Amanda D. French, Kirby P. Hobbs, Richard M Cox, Isaac J. Arnquist
Interference removal in inductively coupled plasma tandem mass spectrometry (ICP-MS/MS) is strongly dependent on the gas selected for use within the collision/reaction cell.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

A rapid and ultrasensitive paper sensor for Bacillus cereus Haemolysin BL detection

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5243-5254
DOI: 10.1039/D4AN00813H, Paper
Chunhao Wei, Xinxin Xu, Lingling Guo, Aihua Qu, Aihong Wu, Chuanlai Xu, Hua Kuang
LFIA has been successfully applied to actual sample detection for Hbl B and L2, with an LOD of 1 ng mL−1.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Surface-enhanced Raman scattering enhancement using a hybrid gold nanoparticles@carbon nanodot substrate for herbicide detection

By pubs.rsc.org
Published On ::

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

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

By pubs.rsc.org
Published On ::

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

A cerium-doped tungsten trioxide-functionalized sensing platform for photoelectrochemical detection of ascorbic acid with high sensitivity

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5206-5212
DOI: 10.1039/D4AN01165A, Paper
Xueying Zhu, Tikai Liang, Dianping Tang
A highly efficient photoelectrochemical (PEC) strategy was proposed for the determination of ascorbic acid (AA).
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Reference-free quantitative mass spectrometry in the presence of nonlinear distortion caused by in situ chemical reactions among constituents

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5320-5328
DOI: 10.1039/D4AN00961D, Paper
Yusuke Hibi
Nonlinear reference-free analysis in pyrolysis-MS enables accurate compositional analysis even in reactive and interactive systems.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Analysis of blue and green REACH compliant tattoo inks

By pubs.rsc.org
Published On ::

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Current trends in electrochemical approaches for liver biomarker detection: a mini-review

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5156-5164
DOI: 10.1039/D4AN01109K, Minireview
Open Access
Derya Yaman, Melanie Jimenez, Sofia Ferreira Gonzalez, Damion Corrigan
Electrochemical detection of liver biomarkers, including aspartate aminotransferase (AST), alanine aminotransferase (ALT), bilirubin, gamma-glutamyl transferase (GGT), alkaline phosphatase (ALP), and albumin, all with vital physiological functions.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Storing liquid chromatographic separations on surface energy traps: decoupling the LC and the mass spectrometer

By pubs.rsc.org
Published On ::

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Alterations of the chemical profile of cholesterol in cancer tissue as traced with ToF-SIMS

By pubs.rsc.org
Published On ::

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Microfluidic methods for the diagnosis of acute respiratory tract infections

By pubs.rsc.org
Published On ::

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Surface-enhanced Raman spectroscopy with single cell manipulation by microfluidic dielectrophoresis

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00983E, Paper
Kwanhwi Ko, Hajun Yoo, Sangheon Han, Won Seok Chang, Donghyun Kim
The combination of dielectrophoresis and surface-enhanced Raman spectroscopy provides an effective method for analyzing the Raman characteristics and the dielectrophoretic behavior of polystyrene beads and U-87MG cells in a microfluidic environment.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

The development of a method to produce diagnostic reagents using LaNiO3 nanospheres and their application in nanozyme-linked immunosorbent assay for the colorimetric screening of C-reactive protein with high sensitivity

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01160K, Paper
Maria Nikitina, Pavel Khramtsov, Stepan Devyatov, Rishat Valeev, Marina Eryomina, Andrey Chukavin, Mikhail Rayev
LaNiO3 nanosphere-based NLISA has been demonstrated for the first time. The assay enables the CRP effective detection with high sensitivity.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Hyperpolarised [2-13C]-pyruvate by 13C SABRE in an acetone/water mixture

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01005A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Oksana A. Bondar, Gamal A. I. Moustafa, Thomas B. R. Robertson
The NMR hyperpolarisation technique SABRE has been used to hyperpolarise 13C labelled pyruvate in a predominantly aqueous solution which has then been measured by benchtop NMR.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

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...
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

In situ study of the interactions between metal surfaces and cationic surfactant corrosion inhibitors by surface-enhanced Raman spectroscopy coupled with visible spectroscopy

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5372-5380
DOI: 10.1039/D4AN00861H, Paper
Open Access
Felix Frank, Daniela Tomasetig, Peter Nahringbauer, Wolfgang Ipsmiller, Gerd Mauschitz, Karin Wieland, Bernhard Lendl
Coupling Raman and VIS spectroscopy enables the study of AgNP aggregations induced by surfactants.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

A simple spectrogram model for high-accuracy spectral calibration of VIPA spectrometers

By pubs.rsc.org
Published On ::

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Advancing triage of acute lymphoblastic leukaemia subtypes diagnosis: label-free Raman spectroscopy for precise single-cell phenotyping and subtype classification

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5443-5454
DOI: 10.1039/D4AN00956H, Paper
Patrycja Leszczenko, Anna M. Nowakowska, Patrycja Dawiec, Karolina Czuja, Justyna Jakubowska, Marta Zabczynska, Agata Pastorczak, Kinga Ostrowska, Szymon Tott, Wojciech Mlynarski, Malgorzata Baranska, Katarzyna Majzner
Acute lymphoblastic leukaemia (ALL) is a complex disease in pediatric oncology, necessitating accurate diagnostic strategies for effective treatment planning.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Electrochemical and imaging evaluations of electrochemically activated screen-printed gold electrodes

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5401-5410
DOI: 10.1039/D4AN00990H, Paper
Nor Dyana Zakaria, Ibrahim Luqman Salih, Hairul Hisham Hamzah, Turgut Sönmez, Muhamad Huzaifah Omar, Noorhashimah Mohamad Nor, Khairunisak Abdul Razak, Venugopal Balakrishnan
The graphic abstract displays the integration of the SPGE measurement system with an electrochemical cell-based 3D printing to evaluate the electrochemical behaviors and 3D images of both unactivated and activated SPGEs.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Differentiation of oligosaccharide isomers by direct infusion multidimensional mass spectrometry

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5504-5517
DOI: 10.1039/D4AN01142B, Paper
Open Access
Enoch Amoah, Taghi Sahraeian, Ayesha Seth, Abraham K. Badu-Tawiah
Halide adduction enables the generation of diagnostic fragments ions for oligosaccharide isomers enabling multi-dimensional mass spectrometry analysis without prior separation.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Material-agnostic characterization of spatially offset Raman spectroscopy in turbid media via Monte Carlo simulations

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5463-5475
DOI: 10.1039/D4AN01044B, Paper
Zuriel Erikson Joven, Piyush Raj, Ishan Barman
Monte Carlo simulations of spatially offset Raman spectroscopy (SORS) produce widely-applicable, quantitative frameworks for optimizing and interpreting SORS experiments.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Imaging specific proteins in living cells with small unnatural amino acid attached Raman reporters

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5476-5481
DOI: 10.1039/D4AN00758A, Paper
Erli Cai, Yage Chen, Jing Zhang, Haozheng Li, Yiran Li, Shuai Yan, Zhiyong He, Quan Yuan, Ping Wang
For living HeLa cells, we report a small and minimally-invasive Raman reporter (about 2 aa and <1 kDa), which can be site-specifically introduced into proteins by genetic codon expansion combined with tetrazine ligation.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

A gold nanomaterial-integrated distance-based analytical device for uric acid quantification in human urine samples

By pubs.rsc.org
Published On ::

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


Full Article

ac

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

By pubs.rsc.org
Published On ::

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


Full Article

ac

Liquid saliva-based Raman spectroscopy device with on-board machine learning detects COVID-19 infection in real-time

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5535-5545
DOI: 10.1039/D4AN00729H, Paper
Open Access
Katherine J. I. Ember, Nassim Ksantini, Frédérick Dallaire, Guillaume Sheehy, Trang Tran, Mathieu Dehaes, Madeleine Durand, Dominique Trudel, Frédéric Leblond
Raman spectroscopy and machine learning is used in combination to detect COVID-19 positive saliva in liquid form.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Evaluation of extracellular vesicle aggregation by single vesicle analysis

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01112K, Paper
Johan Yi, Suyeon Kim, Chungmin Han, Jaesung Park
A TIRF microscopy-based method for single vesicle aggregation analysis enables precise assessment of EV aggregation under various conditions, enhancing EV characterization and functional analysis.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Structural determination of fructooligosaccharides and raffinose family oligosaccharides using logically derived sequence tandem mass spectrometry

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00872C, Paper
Chia Yen Liew, Wun-Long Li, Chi-Kung Ni
Logical procedures for structural determination of fructooligosaccharides and raffinose family oligosaccharides.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Electrochemically modulated surface plasmon waves for characterization and interrogation of DNA-based sensors

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01164C, Paper
Anil Sharma, Thomas Hulse, Aymen H. Qatamin, Monica Moreno, Klester S. Souza, Marcelo B. Pereira, Fabricio S. Campos, Leandro B. Carneiro, Antonio M. H. de Andrade, Paulo M. Roehe, Flavio Horowitz, Sergio B. Mendes
This article focuses on the application of electrochemically modulated surface plasmon waves for structural characterization and for assessing signal transduction performance of redox-labeled DNA-based sensing platforms.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Time for a trailer on Facebook

By www.thehindubusinessline.com
Published On :: Thu, 14 Mar 2013 11:03:14 +0530


Full Article

  • A J Vinayak
ac

Fours, fractures and first Test

By www.thehindubusinessline.com
Published On :: Sun, 17 Mar 2013 11:47:47 +0530


Full Article

  • A J Vinayak
ac

Golden Sachin

By www.thehindubusinessline.com
Published On :: Fri, 17 May 2013 09:45:21 +0530


Full Article

  • A J Vinayak
ac

Behind the glow: unveiling the nature of NanoLuc reactants and products

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27447-27458
DOI: 10.1039/D4CP02551B, Paper
Alessandro Bonardi, Michele Turelli, Giorgio Moro, Claudio Greco, Ugo Cosentino, Carlo Adamo
Among all the possible candidates involved in the NanoLuc bioluminiescnce, this computational analysis identifies the enol tautomer of furimazine as a probable reactive species and the zwitterionic forms of furimamide as the luminescent product.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

The effect of hydrogen bonding on the π depletion and the π–π stacking interaction

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27431-27438
DOI: 10.1039/D4CP02889A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Usman Ahmed, Dage Sundholm, Mikael P. Johansson
Calculations on molecules with self-complementary hydrogen bonding show that hydrogen bonds increase the energy of π–π stacking interactions.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

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

By pubs.rsc.org
Published On ::

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Modeling interfacial electric fields and the ethanol oxidation reaction at electrode surfaces

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27544-27560
DOI: 10.1039/D4CP02765E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yuhan Mei, Fanglin Che, N. Aaron Deskins
The electrochemical environment present at surfaces can have a large effect on surface reactivity.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

ac

Electrochemical system of nitrogen-doped TiO2, Fe–N–C, and copper hexacyanoferrate electrodes for photo-assisted energy conversion in acidic wastewater treatment

By pubs.rsc.org
Published On ::

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


Full Article

ac

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

By pubs.rsc.org
Published On ::

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.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article