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Insights into the modulation mechanisms of multiple active sites in a conjugated small molecule towards organic cathode capacity from first-principles

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI00547C, Research Article
Zhaopeng Sun, Hao Tian, Meng Zhang, Yi Zhang, Zhiping Li, Weiwei Huang
The modulation mechanisms of Na+ within the redox-active sites of the two-dimensional conjugated organic small-molecule 3BQ, and their impact on the initial capacity of a 3BQ cathode for Na-ion batteries, were investigated using first-principles calculations.
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




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Shift toward EVs could disrupt global oil market: International Energy Agency report

As China's rapid switch to electricity plays a significant role in disrupting the oil market, oil companies find they can sell more of their product to India




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Towards a decade of healthy ageing

Ageing with grace: Healthcare is shifting its focus from treating illness to preventing it 




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Maharashtra’s sugar mills warn of potential halt to cane crushing season over MSP and ethanol price stalemate

Despite annual hikes in the Fair and Remunerative Price (FRP) for sugarcane, the MSP of sugar has remained unchanged since 2019




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India’s journey towards biofuel leadership

With continued government support, private sector investment, and public participation, India can become a global biofuel leader




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WISMA warns of losses to sugar mills if crushing season is delayed further

“We had requested the government to allow mills to begin crushing as early as November 5. However, the ministerial committee has decided to start the season on November 15”: WISMA President




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World experienced its second-warmest October last month, says European weather agency

2024 “certain” to be the warmest year on record, says Copernicus Climate Change Service 




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Gujarat HC issued another ‘arrest’ warrant against merchant vessel SW South Wind I

Farm Fresh petitions against hold up of its cargo in the organic rice export irregularities case




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Centre to OTAs: Correct air ticket pricing mechanism, fix software glitches

‘Ministry has advised OTAs to modify the websites’ algorithm so that the search results are not based on cache memory data’




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Air India sets up war room for a smooth merger with Vistara

Vistara chief commercial officer Deepak Rajawat named AI Express CFO in a management rejig, Vistara CEO Vinod Kannan will continue to hold the role of chief integration officer




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Kerala set to start its seaplane service from Kochi, looks forward to boost in tourism

Kerala Tourism Minister Mohamed Riyas will flag off the trial run on Monday




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Brilliance of nadaswaram

A nadaswaram concert by ‘Bejawada Brothers’ enthralled the audience.




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MR-TADF liquid crystals: towards self assembling host–guest mixtures showing narrowband emission from the mesophase

Chem. Sci., 2024, 15,18022-18030
DOI: 10.1039/D4SC04429K, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Julius A. Knöller, Franziska Müller, Tomas Matulaitis, John M. dos Santos, Abhishek Kumar Gupta, Eli Zysman-Colman, Sabine Laschat
We developed a MR-TADF based, columnar liquid crystalline host system and doped it with a MR-TADF guest. Efficient FRET allowed us to construct the first columnar liquid crystal with narrowband MR-TADF from the strongly aggregated mesophase.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Reactivities of tertiary phosphines towards allenic, acetylenic, and vinylic Michael acceptors

Chem. Sci., 2024, 15,18111-18126
DOI: 10.1039/D4SC04852K, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Feng An, Jan Brossette, Harish Jangra, Yin Wei, Min Shi, Hendrik Zipse, Armin R. Ofial
Combined experimental and quantum-chemical studies were used to characterise the philicity/fugality features of tertiary phosphines and Michael acceptors in phospha-Michael reactions, which are key steps in phosphine-catalysed organic reactions.
The content of this RSS Feed (c) The Royal Society of Chemistry




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FragGen: towards 3D geometry reliable fragment-based molecular generation

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04620J, Edge Article
Open Access
Odin Zhang, Yufei Huang, Shichen Cheng, Mengyao Yu, Xujun Zhang, Haitao Lin, Yundian Zeng, Mingyang Wang, Zhenxing Wu, Huifeng Zhao, Zaixi Zhang, Chenqing Hua, Yu Kang, Sunliang Cui, Peichen Pan, Chang-Yu Hsieh, Tingjun Hou
FragGen introduces a novel fragment-based AI-based molecular design method. It proposes the geometry handling protocol to improve the generation quality and has been applied to design highly bioactive type II kinase inhibitors.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Strain-induced charge delocalization achieves ultralow exciton binding energy toward efficient photocatalysis

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05873A, Edge Article
Open Access
Junyuan Duan, Yinghe Zhao, Yu Wu, Youwen Liu, Junnian Chen, Ruoou Yang, Jiazhao Huang, Chuanqi Luo, Mao Wu, Xiaodong Zheng, Pengyu Li, Xueliang Jiang, Jianguo Guan, Tianyou Zhai
A novel approach of strain-induced charge delocalization is developed to significantly reduce the exciton binding energy of Ta2O5 nanorods to below ambient thermal energy, leading to a remarkable enhancement in photocatalytic hydrogen evolution.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06403H, Edge Article
Open Access
Dan-Dan Zhou, Chun-Li Hu, Xin-Wei Zhang, Jiang-Gao Mao, Fang Kong
Successful synthesis of centrosymmetric Ga(Te3O7)Br and non-centrosymmetric M2(OH)(TeO3)(Te2O5)X (M = Al, Ga; X = Br, Cl) using a depolymerization strategy.
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




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Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04197F, Edge Article
Open Access
weikang Wu, Thayalan Rajeshkumar, Shan Zhu, Fuxiang Chai, Dongjing Hong, ZeMing Huang, Qingbing Yuan, Laurent Maron, Shaowu Wang
The rare-earth metal dialkyl complexes (κ2-L1)RE(CH2SiMe3)2(THF)2 [RE = Lu(1a), Yb(1b), Er(1c), Y(1d), Dy(1e)] (L1 = 1-(2-N-C5H10NCH2CH2)-3-(2,6-iPr2C6H3N=CH)-C8H4N) and the rare-earth metal monoalkyl complexes (κ2-L1)2RE(CH2SiMe3)(THF)n [n = 0, RE = Lu(2a), Yb(2b);...
The content of this RSS Feed (c) The Royal Society of Chemistry




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12/14:46 EST Heatwave Warning (QLD)




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13/09:44 EST Flood Warning Summary for Queensland




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13/09:43 EST Final Flood Warning for the Logan River




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13/09:26 EST Minor Flood Warning for the Bremer River and Warrill Creek




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Warrior prince and talking heads

The playfulness to the writing around Ravana and his ten perennially bickering heads could have made the film oddly amusing. But alas, the humour remains just a flash




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A rewarding journey

Festival director Ritu Sarin talks about the highlights of this year’s Dharamshala International Film Festival 2016




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Why investing in this large-cap fund can be rewarding in choppy markets

Kotak Bluechip is a steady outperformer and suits investors, with a medium risk appetite, saving for long-term goals




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India warns 'least common denominator' model of UNSC reforms could derail major change




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India warns 'least common denominator' model of UNSC reforms could derail major change




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Cool Jew Named National Jewish Book Award Finalist

Congratulations to author Lisa Alcalay Klug, recipient of an honor in the "Jewish Pulitzers." Her book, Cool Jew: The Ultimate Guide for Every Member of the Tribe, published by Andrews McMeel in September 2008, has been named a 2008 National Jewish Book Awards finalist.

Cool Jew is a loving and irreverent celebration of Jewish culture. In addition to its fervent call for positive Jewish identity and affiliation, and embrace of Jewish multiculturalism, language, and more, the 250-page humor book also chronicles contemporary Jewish arts and culture with approximately 400 images. These include original line drawings, vintage Israeli and Jewish posters, t-shirt designs, kabbalistic paintings from Israel, album covers, kitsch and more. Cool Jew also features extensive back-of-the-book resource guides on ways to enjoy Jewish community called "Da Tribe Online" and contemporary Jewish music called "Da Heebster Jewkebox."

Cool Jew placed in the category of "Contemporary Jewish Life and Practice." It is the only humor book among the 2008 National Jewish Book Award honorees.

Each year, the National Jewish Book Awards honor some of the best and most exciting authors in the field of Jewish literature. After more than fifty years of presenting these awards, hundreds of books have received the prestigious National Jewish Book Award, including titles by the top authors on the American Jewish literary scene. For the full list of winners and finalists, click here.

The 58th Annual National Jewish Book Awards Ceremony will be held at 7:30 pm, March 5th at the Center for Jewish History in New York City. The ceremony is free and open to the public.

This is the second honor for author Lisa Alcalay Klug since the September release of her first book. She was previously named Erma Bombeck Humor Writer of the Month by the University of Dayton.



  • Cool Jew
  • Jewish Book Awards
  • Lisa Alcalay Klug

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Andrews McMeel Cookbooks Nominated for IACP Awards

Two Andrews McMeel Publishing 2008 cookbooks have been named finalists in the 2009 International Association of Culinary Professionals Cookbook Awards:

The Art and Soul of Baking
By Sur La Table with Cindy Mushet
Baking Category

Things Cooks Love: Ingredients. Implements. Recipes.
By Sur La Table with Marie Simmons
General Category

The winners in each of the thirteen categories, as well as the Cookbook of the Year,
will be announced April 4 at IACP’s annual international conference in Denver.




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The Art and Soul of Baking a 2009 IACP Cookbook Awards Winner

The Art and Soul of Baking is a 2009 IACP Cookbook Awards Winner

Winners were announced at the 2009 International Association of Culinary Professionals Conference (IACP) International in Denver on April 4.

Art and Soul of Baking won in the cookbook/baking category!

Sur La Table teamed with pastry chef and baking teacher Cindy Mushet to bring you the ultimate guide to baking. Beautiful photographs and more than 250 easy-to-follow recipes lead you into a world of alluring aromas and light, flaky pastries. Illustrated asides take you step by step through important techniques, from carmelizing sugar to working with croissant dough. Plus, you'll find invaluable information on over 100 ingredients and 50 baker's tools. A true pleasure for anyone who loves to bake.

The cookbook is also nominated for a 2009 James Beard Foundation Award.



  • IACP
  • The Art and Soul of Baking

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Towards real-time myocardial infarction diagnosis: a convergence of machine learning and ion-exchange membrane technologies leveraging miRNA signatures

Lab Chip, 2024, Advance Article
DOI: 10.1039/D4LC00640B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Xiang Ren, Ruyu Zhou, George Ronan, S. Gulberk Ozcebe, Jiaying Ji, Satyajyoti Senapati, Keith L. March, Eileen Handberg, David Anderson, Carl J. Pepine, Hsueh-Chia Chang, Fang Liu, Pinar Zorlutuna
Rapid diagnosis of acute myocardial infarction (AMI) is crucial for optimal patient management.
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




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Integrated device for plasma separation and nucleic acid extraction from whole blood toward point-of-care detection of bloodborne pathogens

Lab Chip, 2024, 24,5124-5136
DOI: 10.1039/D4LC00571F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Abigail G. Ayers, Christia M. Victoriano, Samuel K. Sia
This work presents PRECISE, a device that integrates plasma separation and nucleic acid extraction, enabling streamlined sample preparation of whole blood for point-of-care diagnostics without external equipment or electricity.
The content of this RSS Feed (c) The Royal Society of Chemistry




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P.V. Thampy memorial award to forest guide

Sudhamma, a forest guide at Thattekkad Bird Sanctuary, is an authority on birds in the region and provides valuable information to visitors




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Tooth-brushing event held to create awareness about oral health among children




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Decision on extending Warehousing Corporation MD’s tenure soon, govt. tells HC




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Golden Warrior for the Multidimensional Trophy




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Centre releases ₹1.78 lakh crore to States towards tax devolution

Aimed at enabling States to accelerate capital spending ahead of festive season




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Vehicle scrappage policy receives lukewarm response: Auto dealers

State incentives boost scrappage uptake, but space limitations hinder progress




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Cybercrimes on rise: TN Police warns public; Chennai, Coimbatore, 2-tier cities vulnerable




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Home Minister Amit Shah aware of deteriorating law and order situation in Andhra Pradesh: BJP MP

If A.P. CM was really concerned about what happened, he should step down by owning moral responsibility, the BJP MP said




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BRS names candidates for four Lok Sabha seats, fields Koppula Eshwar from Peddapalli

Party president KCR holds meeting with leaders of Mahabubabad, Khammam LS seats




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AICF announces ₹3.2 crore rewards for Olympiad-winning teams

Each player from the winning teams will receive ₹25 lakh, while the captains of the men’s and women’s teams, Abhijeet Kunte and Srinath Narayanan, will be rewarded with ₹15 lakh each




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Beware of ‘college’ teams, says champion Ernakulam’s coach Eudrick




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This Bengaluru software professional covered 518 km in three days to win Ultraman India 2024

Bengaluru’s Jayanarayan Raja won Ultraman India 2024, conquering 518 km in three days with a grueling swim, bike, and run challenge




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Donald Trump speaks to Putin, warns against escalating war in Ukraine: report

Donald Trumps’s representativessaid he also expressed an interest in further conversations to discuss “the resolution of Ukraine’s war soon.”




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Flood victims of Vijayawada: People of all regions should come forward to support them, says Andhra Pradesh CM Chandrababu Naidu

CM Chandrababu Naidu said moral and financial support for victims of natural calamities would instill confidence among them




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Y.S. Vijayamma warns trollers of defamation cases

She ‘was tormented by the fact that the misinformation campaign against her family was touching a new low.’




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Tirupati universities form cluster to work towards conserving biodiversity

IIT-T, IISER Tirupati, SPMVV and Dravidian University comes together to create campus biodiversity registers as part of APSCHE-IIC research programme




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Morale and the Italian army during the First World War [electronic resource] / Vanda Wilcox.

Cambridge : Cambridge University Press , 2016.




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State, Society and Mobilization in Europe during the First World War [electronic resource] / edited by John Horne.

Cambridge : Cambridge University Press , 1997.