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Across the margins : Cultural Identity and Change in the Atlantic Archipelago [Electronic book] / ed. by Gerry Smyth, Glenda Norquay.

By encore.st-andrews.ac.uk
Published On ::

Manchester : Manchester University Press, [2018]


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A Perspective on the Future of Quantum Chemical Software: The Example of the ORCA Program Package

By pubs.rsc.org
Published On ::

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00056K, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Frank Neese
TBC
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What can Quantum Information Theory Offer to Quantum Chemistry?

By pubs.rsc.org
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00059E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Damiano Aliverti-Piuri, Kaustav Chatterjee, Lexin Ding, Ke Liao, Julia Liebert, Christian Schilling
It is the ultimate goal of this work to foster synergy between quantum chemistry and the flourishing field of quantum information theory. For this, we first translate quantum information concepts...
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Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques

By pubs.rsc.org
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00039K, Paper
Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht, Martin Rahm, Werner Dobrautz
The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the...
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Quantum Embedding for Molecules with Auxiliary Particles - The Ghost Gutzwiller Ansatz

By pubs.rsc.org
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00053F, Paper
Carlos Mejuto-Zaera
Strong/static electronic correlation mediates the emergence of remarkable phases of matter, and underlies the exceptional reactivity properties in transition metal-based catalysts. Modeling strongly correlated molecules and solids calls for multi-reference...
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Exchange of equatorial ligands in protein-bound paddlewheel Ru25+ complexes: new insights from X-ray crystallography and quantum chemistry

By pubs.rsc.org
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Inorg. Chem. Front., 2024, 11,7803-7811
DOI: 10.1039/D4QI01846J, Research Article
Open Access
Aarón Terán, Francesca Fasulo, Giarita Ferraro, Ana Edilia Sánchez-Peláez, Santiago Herrero, Michele Pavone, Ana Belén Muñoz-García, Antonello Merlino
The reactivity of [Ru2Cl(D-p-CNPhF)(O2CCH3)3]n (D-p-CNPhF− = N,N'-bis(4-cyanophenyl)formamidinate) with the model protein RNase A has been investigated by X-ray crystallography and Quantum Chemistry.
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Pentagonal-bipyramidal Dysprosium(III) complexes with two apical phosphine oxide ligands and equatorial pentadentate N3O2 Schiff-base ligands: Breakdown of the apical magnetic axiality by strong equatorial crystal field†

By pubs.rsc.org
Published On ::

Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02262A, Research Article
Tamara A. Bazhenova, Vyacheslav Kopotkov, Denis V. Korchagin, Elena Yureva, Michael V. Zhidkov, Alexey I Dmitriev, Ilya Yakushev, N. N. Efimov, Konstantin Andreevich Babeshkin, Vladimir Sergeevich Mironov, Eduard B. Yagubskii
A series of three new seven-coordinate pentagonal-bipyramidal (PBPY-7) Dy(III) complexes [Dy(LCH3)(Cy3PO)2]ClO4∙CH3CN (1), [Dy(L2(t-Bu))(Ph3PO)2]ClO4∙0.63C2H5OH (2), [Dy(LOCH3)(Ph3PO)2]ClO4∙2H2O (3) including various chelating pentadentate ligands with a [N3O2]2− binding node in the equatorial plane,...
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A miniprotein receptor electrochemical biosensor chip based on quantum dots

By pubs.rsc.org
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Lab Chip, 2024, 24,1875-1886
DOI: 10.1039/D3LC01100C, Paper
Yunong Zhao, Juan Han, Jing Huang, Qing Huang, Yanbing Tao, Ruiqin Gu, Hua-Yao Li, Yang Zhang, Houjin Zhang, Huan Liu
We developed an on-chip laboratory for biomolecule interactions and kinetics analysis based on the three-electrode and high electron mobility transistor (HEMT) chip platform.
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Distance-based paper analytical device for multiplexed quantification of cytokine biomarkers using carbon dots integrated with molecularly imprinted polymer

By pubs.rsc.org
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Lab Chip, 2024, 24,2262-2271
DOI: 10.1039/D4LC00055B, Paper
Kawin Khachornsakkul, Ruben Del-Rio-Ruiz, Lita Chheang, Wenxin Zeng, Sameer Sonkusale
A carbon dots and dopamine-imprinted polymer was immobilized onto a distance-based paper channel for simultaneous detection of three cytokine biomarkers without requiring expensive reagents and instruments.
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Development of a microfluidic device to enrich and detect zearalenone in food using quantum dot-embedded molecularly imprinted polymers

By pubs.rsc.org
Published On ::

Lab Chip, 2024, Advance Article
DOI: 10.1039/D4LC00193A, Paper
Marti Z. Hua, Shenmiao Li, M. S. Roopesh, Xiaonan Lu
A QD-MIP based microfluidic device to detect mycotoxin in food.
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Digital strategies to improve the product quality and production efficiency of fluorinated polymers: 2. Heat removal performance of reactor with internal and external cooling systems

By pubs.rsc.org
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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00203B, Paper
Xi-Bao Zhang, Yin-Ning Zhou, Hao Chen, Zheng-Hong Luo, Liyang Zhou, Guojun Yu, Wenwu Liu, Shiping Zhu
A reactor's heat transfer efficiency can be significantly enhanced and the fluid temperature uniformity can be controlled through introducing cooling water in the agitator and regulating the flow ratio of cooling water in the agitator and jacket.
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Evaluating metal-free quaternized boronate esters as efficient catalysts for the fixation of CO2 with epoxides to form cyclic carbonates under suitable conditions

By pubs.rsc.org
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React. Chem. Eng., 2024, 9,2938-2953
DOI: 10.1039/D4RE00282B, Paper
Eyyup Yasar, Emine Aytar, Ahmet Kilic
The conversion of CO2 into high value-added chemicals is receiving increasing attention from the scientific community, commercial enterprises, and policymakers due to environmental problems like global warming.
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Self-healing polyacrylates based on dynamic disulfide and quadruple hydrogen bonds

By pubs.rsc.org
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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00257A, Paper
Longjin Du, Yuting Zhong, Linying Zhao, Chengzhen Hu, Liang Shen, Yuping Yang, Jiang Zhong
Herein, a self-healing polyacrylate system was successfully prepared by introducing crosslinking agents containing disulfide bonds and monomers capable of forming quadruple hydrogen bonds through free radical copolymerization.
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A self-powered photodetector through facile processing using polyethyleneimine/carbon quantum dots for highly sensitive UVC detection

By pubs.rsc.org
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RSC Adv., 2024, 14,12360-12371
DOI: 10.1039/D3RA08538D, Paper
Open Access
Vo Pham Hoang Huy, Chung Wung Bark
Ultraviolet C (UVC) photodetectors have garnered considerable attention because the detection of UVC is critical for preventing skin damage in humans, monitoring environmental conditions, and detecting power aging in military applications.
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Quantitative analysis of the illegal addition of Atenolol in Panax notoginseng based on NIR–MIR spectral data fusion and calibration transfer

By pubs.rsc.org
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RSC Adv., 2024, 14,12428-12437
DOI: 10.1039/D3RA08183D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jie Du, Zhengwei Huang, Chun Li, Ling Jiang
To address the issue of the common illegal addition of Atenolol in Panax notoginseng, we propose an approach that realizes multivariate calibration transfer between different particle sizes based on spectral data fusion.
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Insights into the optoelectronic behaviour of heteroatom doped diamond-shaped graphene quantum dots

By pubs.rsc.org
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RSC Adv., 2024, 14,12639-12649
DOI: 10.1039/D4RA00603H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yassine El Haddad, Hala Ouarrad, Lalla Btissam Drissi
Investigation of heteroatom (N, B, O, P and S) doping impact on the structural, optoelectronic and photoluminescence properties of diamond-shaped graphene quantum dots for photovoltaics and nanomedical applications, and energy technologies.
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Carbon dots–cadmium sulfide quantum dots nanocomposite for ‘on–off’ fluorescence sensing of chromium(VI) ions

By pubs.rsc.org
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RSC Adv., 2024, 14,12923-12934
DOI: 10.1039/D4RA00436A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Anisha B. Patil, Pooja L. Chaudhary, Parag V. Adhyapak
This work involves fluorescent probe which is composed of carbon dots (CD) and cadmium sulfide quantum dots (CdS QD) for the sensitive and selective fluorescence detection of chromium(VI) ions.
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Solvent quality shape control in continuous flow block copolymer self-assembly

By pubs.rsc.org
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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01174K, Communication
Axel-Laurenz Buckinx, Lakshani J. Weerarathna, Anna Sokolova, Tanja Junkers
The influence of solvent quality on block copolymer self assembly is studied in detail using SANS online monitoring.
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Single-ion quasi-solid-state electrolytes based on sulfonimide-functionalized covalent organic framework

By pubs.rsc.org
Published On ::

Polym. Chem., 2024, 15,4529-4541
DOI: 10.1039/D4PY00352G, Paper
Haomin Wu, Wencan Ma, Xin Huang, Yifeng Cai, Junheng Li, Qiaobo Liao, Kai Xi, Qiuhong Zhang, Xudong Jia
The COF based SIQSSEs with a high ionic conductivity of 4.3 × 10−4 S cm−1, a high LTN of 0.90. A high initial capacity (150.3 mA h g−1), high retention (99% after 100 cycles), good cycling stability and rate performance in Li/LFP battery test.
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Interpretable machining learning assisted insights into bifunctional squaramide catalyzed ring-opening polymerization of lactide

By pubs.rsc.org
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Polym. Chem., 2024, 15,4562-4569
DOI: 10.1039/D4PY00866A, Paper
Shaoju Cao, Mengting Hong, Junyuan Hu, Zhenjiang Li, Jin Huang, Kai Guo
A bifunctional squaramide catalyst with tunable activity enables the controlled ring-opening polymerization of lactide. Combining bench experiments and interpretable machine learning offer insights into catalyst structures, promoting catalyst design.
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Physically crosslinked polyacrylates by quadruple hydrogen bonding side chains

By pubs.rsc.org
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J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01702A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jente Verjans, Alexis André, Tomáš Sedlačík, Resat Aksakal, Evelyne van Ruymbeke, Richard Hoogenboom
Dynamic polymer materials with improved mechanical properties can be obtained by introducing supramolecular interactions between the polymer chains as demonstrated here by introducing ureidopyrimidinone quadruple hydrogen bonding units in the side chains of polyacrylates.
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Quantum DFT analysis and molecular docking investigation of various potential breast cancer drugs

By pubs.rsc.org
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J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB01803F, Paper
Ashraf Ayub, Ankit Raj Tyagi, Sunil Kumar Srivastava, Pranveer Singh
Breast cancer is the most often diagnosed and deadliest type of cancer in the world. These days, the world is facing the threat of breast cancer. It is essential to...
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Fluorescence sensing techniques for quality evaluation of traditional Chinese medicines: a review

By pubs.rsc.org
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J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01886A, Review Article
Yanyu Xiao, Hui Wang, Chenxia Gao, Xinyi Ye, Yuting Lai, Meiling Chen, Xiaoliang Ren
We summarized the advantages and advanced applications of fluorescence sensing technology compared with other analytical techniques, as well as the challenges and prospects of current application in the field of TCM quality evaluation.
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The Scindias: Straddling royalty and politics with equal ease

By www.thehindubusinessline.com
Published On :: Tue, 13 Jul 2021 12:01:59 +0530

Rasheed Kidwai’s book on the Gwalior royal family is as much a palace chronicle as it is a companion volume to modern Indian political history


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Fluorescent probe to quantify lipid-derived electrophiles in edible oils

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5255-5264
DOI: 10.1039/D4AN00780H, Paper
Lucille Kuster, Priscilia Diane Mamboundou, Asma Boushih, Yasmine Rassi, Alexandre Benoît, Samuel Parent-Vézina, Michel Lord-St-Vincent, Jean-Philippe Guillemette, Mathieu Frenette
Edible oils oxidize in air to form a variety of α,β-unsaturated carbonyl containing products collectively called ‘lipid-derived electrophiles’. A commercially available “turn-on” fluorescent probe 7-mercapto-4-methylcoumarin is used to quantify ‘electrophilic content’ in oil-containing foods.
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Rapid quantification of disaccharide isomers by derivatization in combination with ion mobility spectrometry in beer and milk

By pubs.rsc.org
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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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An ultra-sensitive ammonia sensor based on a quartz crystal microbalance using nanofibers overlaid with carboxylic group-functionalized MWCNTs

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5191-5205
DOI: 10.1039/D4AN01061B, Paper
Ahmad Hasan As'ari, Rizky Aflaha, Laila Katriani, Ahmad Kusumaatmaja, Iman Santoso, Rike Yudianti, Kuwat Triyana
Utilizing the specific interaction between carboxylic groups and ammonia gas has led to the development of an ultra-sensitive ammonia sensor based on a quartz crystal microbalance using nanofibers overlaid with carboxylic group-functionalized MWCNTs.
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Reference-free quantitative mass spectrometry in the presence of nonlinear distortion caused by in situ chemical reactions among constituents

By pubs.rsc.org
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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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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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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.
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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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Mixed quantum/classical theory for rotationally inelastic scattering of identical collision partners revised

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27567-27582
DOI: 10.1039/D4CP02806F, Paper
D. Bostan, B. Mandal, D. Babikov
When the tested system is artificially forced to follow the same collision path in indistinguishable and distinguishable treatments, all the differences between the results of the two treatments disappear.
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High Chern number quantum anomalous Hall effect in monolayer Co3X3SSe (X = Sn, Pb) kagomes

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03625E, Paper
Xiang Yin, Li Deng, Fei Wang, Yanzhao Wu, Junwei Tong, Xianmin Zhang
Two-dimensional stable kagome ferromagnets Co3Sn3SSe and Co3Pb3SSe can realize the QAHE with a high Chern number of |C| = 3, and present intriguing possibilities for advancing intrinsic high Chern number QAH devices.
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Squaramide-based receptors in anion supramolecular chemistry: insights into anion binding, sensing, transport and extraction

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3952-3975
DOI: 10.1039/D3CS01165H, Review Article
Open Access
Giacomo Picci, Riccardo Montis, Vito Lippolis, Claudia Caltagirone
Squaramides are a class of extremely versatile receptors for anion recognition, sensing, transport and extraction.
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On the fundamentals of quantum rate theory and the long-range electron transport in respiratory chains

By pubs.rsc.org
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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00662J, Tutorial Review
Paulo Roberto Bueno
The quantum rate concept v = E/h = c*/L implies relativistic electrodynamics, permitting the transport of electrons in long-range paths of length L and explaining the respiration mechanism if a suitable Boltzmannian statistical setting of E is applied.
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Australian GP qualifying | Verstappen takes pole position; Carlos Sainz also in front row

By www.thehindu.com
Published On :: Sat, 23 Mar 2024 12:45:15 +0530

Verstappen has won both races to start the season in Bahrain and Saudi Arabia


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Leclerc qualifies on pole for the Azerbaijan GP while title challenger Norris 17th

By www.thehindu.com
Published On :: Sun, 15 Sep 2024 02:05:00 +0530

Charles Leclerc has qualified on pole position for the Azerbaijan Grand Prix


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Paris Olympics: Men’s hockey team peaking at right time, faces Great Britain in quarterfinals

By www.thehindu.com
Published On :: Sat, 03 Aug 2024 21:17:49 +0530

Harmanpreet Singh-led outfit has lifted its game steadily in the Olympics and is likely to throw a different challenge against Great Britain


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India vs Great Britain Olympics quarterfinal: Everyone gathered around and worked on the tactics, says Craig Fulton

By www.thehindu.com
Published On :: Sun, 04 Aug 2024 18:31:09 +0530

“Sreejesh is a legend, he is one of the best we have. He is saving us from day one. But when you ask him, he will say it was a team effort, so team first, then individuals,” said Harmanpreet.


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India vs Great Britain quarterfinal: Sreejesh was God of hockey today, says Dilip Tirkey

By www.thehindu.com
Published On :: Sun, 04 Aug 2024 20:17:41 +0530

Dilip Tirkey, who was present at the stadium to witness the match, praised the Indian team for defending well after Amit Rohidas’ expulsion owing to a foul early in the second quarter.


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Tamil Nadu scripts a 43-0 victory over Andaman & Nicobar, enters quarterfinals

By www.thehindu.com
Published On :: Thu, 07 Nov 2024 19:50:16 +0530


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Quand l'éléphant écoute avec ses pieds. English

By darius.uleth.ca
Published On ::

Grundmann, Emmanuelle, author


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Visible light-activated polyphenol–Al3+ coordination for ambient and quantitative xylose-to-furfural conversion

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC04899G, Communication
Jinshu Huang, Qizhi Luo, Tengyu Liu, Song Yang, Hu Li
Visible light-enhanced coordination of polyphenol–Al3+ is uncovered to switch Lewis/Brønsted acid sites for room-temperature cascade upgrading of xylose to furfural in ultrahigh yields.
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Nitrogen-doped graphene quantum dot-intensified tungsten oxide nanosheets as a SERS substrate for antibiotics detection

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, 60,13360-13363
DOI: 10.1039/D4CC05052E, Communication
Lu Tan, Xuanzhao Lu, Shuzhen Yue, Yue Cao, Yang Zhou, Baokang Jin, Jun-Jie Zhu
Tungsten oxide nanosheets loaded with nitrogen-doped graphene oxide quantum dots (NGQDs/WO3 NSs) were fabricated as SERS substrates.
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Chances of infection: food safety squad continues aggressive checking in eateries

By www.thehindu.com
Published On :: Sun, 08 Jan 2023 18:14:53 +0530

Nearly 70 shops dealing with food-based business inspected; flash inspections conducted considering the crowd turnout for Kerala State School Kalolsavam


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Qualities of great men

By www.thehindu.com
Published On :: Wed, 03 Aug 2016 22:30:33 +0530


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Ultrafine VN quantum dots modified with a nitrogen-doped reduced graphene oxide anode material for enhanced rate capability and lifespan of lithium-ion batteries

By pubs.rsc.org
Published On ::

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00502C, Paper
Dong Wang, Zihan Guo, Zhiwei Wang, Yanfang Gao
The excellent electrochemistry performance is attributed to vanadium nitride quantum dots (VNQDs) offering large capacity and nitrogen-doped reduced graphene oxide (NrGO) acting as a conductive network and buffer skeleton.
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Ligand-assisted solvothermal precipitation synthesis of quantum-sized SnO2 nanoparticles and their application in quantum dot light emitting diodes

By pubs.rsc.org
Published On ::

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00811A, Paper
Jiaxin Gao, Mengxin Liu, Xinan Shi, Daocheng Pan
Quantum dot-light emitting diodes with an external quantum efficiency of 12.9% are fabricated based on quantum sized SnO2 nanoparticles as electron transportation layers.
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Evaluating the consistency of rice and paddy quality using four-dimensional fingerprint analysis

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New J. Chem., 2024, 48,7176-7188
DOI: 10.1039/D3NJ05593K, Paper
Yu Ren, Gang Li, Ting Yang, Guoxiang Sun
The aim of this paper is to evaluate the quality of 13 batches of rice and 17 batches of paddy.
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