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Christopher Nolan Remembers 'Dear Friend' Heath Ledger

By www.rediff.com
Published On :: Mon, 08 Jan 2024 12:45:02 +0530

During his acceptance speech at the awards ceremony, Christopher Nolan remembered his 'dear friend' Heath Ledger, who had portrayed a negative role in his film, The Dark Knight.


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It's 30 Years of Pulp Fiction!

By www.rediff.com
Published On :: Sat, 20 Apr 2024 12:58:30 +0530

The cult film celebrated his landmark on April 18 with a special screening in Los Angeles.


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

By pubs.rsc.org
Published On ::

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

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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.
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A lateral strip assay for ultrasensitive detection of glyphosate in soybeans and corn

By pubs.rsc.org
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Analyst, 2024, 149,5232-5242
DOI: 10.1039/D4AN00958D, Paper
Xuyang Ma, Liqiang Liu, Shanshan Song, Hua Kuang, Chuanlai Xu, Xinxin Xu
The determination of glyphosate in soybean (a) and corn (b) samples using a lateral strip assay.
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Revealing the heterogeneous catalytic kinetics of PtRu nanocatalysts at the single particle level

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Analyst, 2024, 149,5184-5190
DOI: 10.1039/D4AN01017E, Paper
Open Access
Bowei Zhang, Dezheng Zhang, Jinpeng Bao, Ce Han, Ping Song, Weilin Xu
The difference in kinetic information among PtRu bimetallic nanocatalysts, Pt and Ru monometallic nanocatalysts is revealed by the single-molecule fluorescence technique.
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Reference-free quantitative mass spectrometry in the presence of nonlinear distortion caused by in situ chemical reactions among constituents

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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.
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Analysis of blue and green REACH compliant tattoo inks

By pubs.rsc.org
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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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A highly sensitive and reproducible fluorescence sensor for continuously measuring hydrogen peroxide at the sub-ppm level

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5353-5359
DOI: 10.1039/D4AN00975D, Paper
Yang Yang, Rui Jiang, En-lai Yang, Jiahao Liang, Ying Xu, Xu-dong Wang
Highly sensitive and reversible fluorescence H2O2 sensor with a limit of detection of 0.02 ppm had been developed. The sensor responded rather fast, had high stability, and can be massively produced with good batch-to-batch consistency.
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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.
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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

By pubs.rsc.org
Published On ::

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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Double-channel sensors for high precision measurement of methane based on a dual-path Herriott cell

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5527-5534
DOI: 10.1039/D4AN01107D, Paper
Hongliang Ma, Shiqi Wang, Gaoxuan Wang, Qilei Zhang, Shenlong Zha, Xueyuan Cai, Lingli Li, Pan Pan, Qiang Liu, Shengbao Zhan
A novel method combining dual-channel concentration signal averaging with detector gain optimization is proposed to improve the measurement precision and response speed of the sensor within the 1–10 second integration time.
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Nanozyme linked multi-array gas driven sensor for real-time quantitative detection of Group A streptococcus

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5433-5442
DOI: 10.1039/D4AN00787E, Paper
Qi Wang, Pei Liu, Ke Xiao, Wenying Zhou, Jinfeng Li, Yun Xi
Group A streptococcus (GAS) is a pathogen typically transmitted through respiratory droplets and skin contact, causing an estimated 700 million mild non-invasive infections worldwide each year.
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Probing the role of ligation and exonuclease digestion towards non-specific amplification in bioanalytical RCA assays

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5491-5503
DOI: 10.1039/D4AN00866A, Paper
Vandana Kuttappan Nair, Chandrika Sharma, Shrawan Kumar, Mrittika Sengupta, Souradyuti Ghosh
Comprehensive quantitative analysis of various ligation and digestion conditions to identify and minimize non-specific amplification in RCA bioanalytical methods.
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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.
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Liquid saliva-based Raman spectroscopy device with on-board machine learning detects COVID-19 infection in real-time

By pubs.rsc.org
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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.
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Molecularly imprinted polymer sensors for biomarker detection in cardiovascular diseases

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01103A, Critical Review
Wenteng Tang, Junlei Han, Wenhong Zhang, Huimin Li, Jun Chen, Wei Song, Li Wang
Molecularly imprinted polymer sensors, combined with electrochemical, optical, thermal, and acoustic detection technologies, detect biomarkers for key cardiovascular diseases: coronary artery disease, acute myocardial infarction, and heart failure.
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Near-infrared frequency upconversion fluorescent probe for rapid and sensitive visual detection of sulfur dioxide

By pubs.rsc.org
Published On ::

Analyst, 2024, Accepted Manuscript
DOI: 10.1039/D4AN01269K, Paper
Hong Zeng, Xiao Ma, Shufen Pan, Yuting Han, Yanyan Tang, Yulan Fan, Yongquan Wu
Inflammation is a complex physiological response involving various cellular and molecular events. Sulfur dioxide (SO2), which is usually in the form of HSO3- and SO32- under physiological conditions, plays a...
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CD ratio is not music to their ears

By www.thehindubusinessline.com
Published On :: Wed, 23 Jan 2013 15:32:40 +0530


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  • A J Vinayak
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In search of a green field

By www.thehindubusinessline.com
Published On :: Sat, 23 Mar 2013 12:23:57 +0530


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  • A J Vinayak
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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.
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In silico validation of allosteric inhibitors targeting Zika virus NS2B–NS3 protease

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27684-27693
DOI: 10.1039/D4CP02867H, Paper
Yeng-Tseng Wang, Yuan-Chin Hsieh, Tin-Yu Wu
The Zika virus (ZIKV), a member of the Flaviviridae family, poses a major threat to human health because of the lack of effective antiviral drugs.
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Magneto-optical properties of heavily Fe-doped GaAs: a density functional approach

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

By pubs.rsc.org
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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)).
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Cation effects and charge inversion contribute to the electrostatic stabilisation of protein bioconjugates in neat ionic liquids

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27648-27659
DOI: 10.1039/D4CP01811G, Paper
Lokesh Soni, Raj Kumar, Kamendra P. Sharma, Ajay Singh Panwar
Dispersion of protein–polymer surfactant bioconjugates was stabilised by a combination of surface overcharging and steric exclusion of long chain cations in neat aprotic ionic liquid.
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Oxidation of fine aluminum particles: thermally induced transformations in particle shells and kinetics of oxide nucleation

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27602-27616
DOI: 10.1039/D4CP03355H, Paper
Andrey V. Korshunov
A submicron aluminum particle during oxidation is a shrinking spherical segment due to the growth of a single γ-Al2O3 nucleus.
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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
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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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Machine-learning-accelerated structure prediction of PtSnO nanoclusters under working conditions

By pubs.rsc.org
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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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Modeling interfacial electric fields and the ethanol oxidation reaction at electrode surfaces

By pubs.rsc.org
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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.
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Near equivalence of polarizability and bond order flux metrics for describing covalent bond rearrangements

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27459-27465
DOI: 10.1039/D4CP03337J, Paper
Lukas Kim, Teresa Head-Gordon
Identification of the breaking point for the chemical bond is essential for our understanding of chemical reactivity.
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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

By pubs.rsc.org
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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.
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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

By pubs.rsc.org
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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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Fundamental basis of mechanochemical reactivity

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27245-27247
DOI: 10.1039/D4CP90153C, Editorial
Adam A. L. Michalchuk, Francesco Delogu
This themed collection includes a collection of articles on the fundamental basis of mechanochemical reactivity.
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Theoretical insight into photodeactivation mechanisms of adenine–uracil and adenine–thymine nucleobase pairs

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27807-27816
DOI: 10.1039/D4CP02817A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Kinga Szkaradek, Robert W. Góra
Ab initio calculations elucidate plausible intramolecular photoinduced relaxation pathways involving ring puckering and an efficient intersystem crossing in A–U and A–T base pairs, potentially hindering electron-driven proton transfer detection.
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Hydrogen tunneling with an atypically small KIE measured in the mediated decomposition of the Co(CH3COOH)+ complex

By pubs.rsc.org
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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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Dynamics of ionic liquids by means of nuclear magnetic resonance relaxation – overview of theoretical approaches

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27248-27259
DOI: 10.1039/D4CP03183K, Review Article
Danuta Kruk, Elzbieta Masiewicz, Roksana Markiewicz, Rajendra Kumar Singh
Nuclear magnetic resonance relaxometry probes the translational and rotational dynamics of ionic liquids. To take advantage of this unique experimental potential, appropriate theoretical models are needed.
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High-level ab initio characterization of the OH + CH3NH2 reaction

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01470G, Paper
Open Access
Balázs Gruber, Gábor Czakó
High-level ab initio computations considering post-CCSD(T), core correlation, scalar relativistic, and spin–orbit effects reveal the stationary-point properties and rate coefficients of the OH + CH3NH2 reaction.
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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

By pubs.rsc.org
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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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20-electron exohedral alkaline-earth-metallofullerenes M(C60)3 (M = Ca, Sr, Ba)

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03404J, Paper
Feiyang Huang, Jian Zhou, Tao Yang
Electron counting rules are powerful for determination of chemically stable complexes for various elemental groups. While the 18-electron rule has been established for transition metals, recent experiments have discovered that...
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A hydrogen passivation strategy for the electrocatalytic chlorine evolution reaction on metal–organic frameworks: a theoretical insight

By pubs.rsc.org
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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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Self-Healing in Dielectric Capacitors: a Universal Method to Computationally Rate Newly Introduced Energy Storage Designs

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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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Electronic Relaxation Pathways in Thio-Acridone and Thio-Coumarin: Two Heavy-Atom-Free Photosensitizers Absorbing Visible Light

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03720K, Paper
Open Access
Chris Acquah, Sean J. Hoehn, Sarah E. Krul, Steffen Jockusch, Shudan Yang, Sourav Kanti Seth, Eric Lee, Han Xiao, Carlos E. Crespo-Hernández
Heavy-atom-free photosensitizers (HAF-PSs) have emerged as a new class of photosensitizers aiming to broaden their applicability and versatility across various fields of the photodynamic therapy of cancers. The strategy involves...
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Intermolecular Hydrogen Bonding Delineates Stability of Non-canonical Adenine Base Pairs: A First-Principles Study

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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP02875A, Paper
Nicholas Adu-Effah, Nabanita Saikia
Non-canonical nucleobase pairs differ from canonical Watson-Crick (WC) pairs in their hydrogen bonding patterns. This study uses density functional theory with empirical dispersion correction to examine the stability and electronic...
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Intermolecular interaction potential maps from energy decomposition for interpreting reactivity and intermolecular interactions

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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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Simulation study of the conformation and dynamics of substrate-supported ring and linear polymer films

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02794A, Paper
Jianhua Huang, Hongzhu Ji, Jin Zhang, Zhunpeng Wang
Ring polymers in substrate-supported films exhibit stronger adsorbability, less deformation, and similar dynamics suppression compared to linear polymers.
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Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning

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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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Annealing approach to form a nanotube from graphdiyne ribbon: A theoretical prediction

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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03573A, Paper
Bo Song, Kun Cai, Jiao Shi, Qinghua Qin
A precisely controllable heat treatment process is critical for nanofabrication. We developed a two-step method to fabricate a graphdiyne nanotube (GNT) through heat treatment in an argon environment. Initially, we...
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Breaking the Brownian Barrier: Models and Manifestations of Molecular Diffusion in Complex Fluids

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

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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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