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The structural, electronic and thermodynamic properties of the designed p-benzoquinone based dicationic ionic liquids: insight from DFT–GD3 and QTAIM

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00119B, Paper
Hossein Roohi, Sajedeh Habibipour, Khatereh Ghauri
In this work, physicochemical properties of the dicationic ionic liquids [BTAD][A1–8]2 ([BTAD]2+ = [p-C6O2(N3H2)2]2+ and A1–8 = [CH3CO2], [CF3CO2], [N(CN)2], [CF3SO3], [ClO4], [BF4], [NTf2] and [PF6]) were theoretically investigated.
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Computational-assisted molecular design, synthesis and application of benzobisthiadiazole-based near-infrared dye in electrowetting displays

Mol. Syst. Des. Eng., 2024, 9,1144-1154
DOI: 10.1039/D4ME00115J, Paper
Junheng Chen, Haoteng Lin, Xintong Wang, Dinggui He, Baoyi Luo, Yuanyuan Guo, Wangqiao Chen, Guofu Zhou
Computational-assisted molecular design of benzobisthiadiazole-based donor–acceptor–donor type near-infrared dyes, their synthesis and application as colored inks in electrowetting displays.
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Design strategy and molecular level understanding: hole transport materials with suitable transition dipole orientation for OLEDs

Mol. Syst. Des. Eng., 2024, 9,1116-1129
DOI: 10.1039/D3ME00127J, Paper
Krishan Kumar, Sunil Kumar, Anirban Karmakar, Dipanshu Sharma, Feng-Rong Chen, Mangey Ram Nagar, Jwo-Huei Jou, Subrata Banik, Subrata Ghosh
A combined experimental and theoretical study on a group of phenothiazine-substituted pyridine is reported.
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Jnana dispels ignorance




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Significance of Saranagati




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Significance of sacrifice




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Design and synthesis of core shells HZSM-5@MCM-41 with variable acidity and mesoporosity for lignin-catalyzed fast pyrolysis to prepare aromatics

New J. Chem., 2024, 48,7235-7243
DOI: 10.1039/D4NJ00530A, Paper
Yiwen Dai, Bin Guan, Xingxiang Wang, Jiaqi Liu, Zehua Huang, Bin Dai, Jichang Liu, Jiangbing Li
In this study, a uniform micro/mesoporous core–shell composite HZSM-@MCM-41 comprising zeolite was successfully prepared by coating mesoporous MCM-41 shells on nanosized ZSM-5 cores using a two-step hydrothermal method.
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Design, synthesis, and biological evaluation of a 99mTc-labeled small-molecule tracer for PD-L1 imaging

New J. Chem., 2024, 48,7300-7307
DOI: 10.1039/D3NJ05843C, Paper
Chunxiong Lu, Dandan Zhu, Peng Zhou, Kangxia Yu, Yaling Liu, Hongyong Wang, Hao Wu, Jun Wu, Guoqing Han, Pei Zou
Illustration of [99mTc]Tc-SG2C-CBM for imaging PD-L1.
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Design and synthesis of few-layer molybdenum oxide selenide encapsulated in a 3D interconnected nitrogen-doped carbon anode toward high-performance sodium storage

New J. Chem., 2024, 48,7370-7378
DOI: 10.1039/D4NJ00389F, Paper
Yonghong Qin, Shahriman Zainal Abidin, Azhari Bin Md Hashim, Oskar Hasdinor Hassan, Xiaojun Zhao
Novel few-layered MoO3–MoSe2 encapsulated in a 3D NC skeleton is constructed to improve the electrochemical performances of SIBs.
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Design of Fe and N co-decorated biomass-derived hierarchical porous carbon frameworks with boosted oxidase-like activity for hydroquinone detection

New J. Chem., 2024, 48,7197-7204
DOI: 10.1039/D4NJ00509K, Paper
Han Zhang, Xiaodan Qi, Zhifei Wang, Lihua Jin, Yehua Shen
An Fe and N co-decorated biomass-derived porous carbon framework with boosted oxidase-like activity was prepared and applied to sensitive hydroquinone detection.
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Unraveling the inhibitory potential of Rosetta designed de novo cyclic peptides on PARP7 through molecular dynamics simulations

New J. Chem., 2024, 48,7347-7355
DOI: 10.1039/D4NJ00016A, Paper
Yuqi Zhu, Aamir Mehmood, Daixi Li
Cyclic peptides have the characteristics of antibodies and small molecules and have better advantages over small molecules.
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Biowaste valorization: multifunctional hybrid lignin/TiO2 nanostructures for bacterial-biocide disinfection and dye removal

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN00091A, Paper
Open Access
Marica Gallo, Virginia Venezia, Marica Muscetta, Rossella Grappa, Mariavittoria Verrillo, Gianluca Landi, Raffaele Marotta, Giuseppina Luciani
Hybrid lignin TiO2 nanoparticles: red-ox activity enables biocide disinfection and dye removal.
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Correction: Nano-pelargonidin modulates p53/PARP/HSP 90/XRCC1 signaling axis to combat cypermethrin-induced genotoxicity and metabolic dysfunction in fish: a molecular docking predicted in vivo approach

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN90017K, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Priyanka Sow, Sudatta Dey, Rishita Dey, Asmita Samadder, Sisir Nandi, Debojyoti Tarafdar, Anisur Rahman Khuda-Bukhsh
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Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns

CrystEngComm, 2024, 26,1952-1961
DOI: 10.1039/D4CE00010B, Paper
Showkat Rashid, Ahmad Husain, Bilal A. Bhat, Goverdhan Mehta
This article examines C–H⋯O and O–H⋯O hydrogen-bonded patterns in polyoxygenated decalins, showcasing varied supramolecular architectures influenced by oxyfunctionalisation and surrogate carbonate groups.
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Structural diversity and tetrel bonding significance in lead(II) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00325J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ghodrat Mahmoudi, Isabel Garcia-Santos, Roi Fernández-Vázquez, Rosa Maria Gomila, Alfonso Castineiras, Esmail Doustkhah, Ennio Zangrando, Antonio Frontera
Four lead(II) complexes featuring pyrazoylisonicotinoylhydrazone ligand paired with various anionic co-ligands (azido, thiocyanato, nitrito, and nitrato) were synthesized and thoroughly examined using structural, analytical, and spectroscopic techniques. These ligands, in...
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Elon Musk signals Twitter's headquarters may not stay in San Francisco

San Francisco officials said they would investigate Twitter after six former employees alleged that the company broke laws by turning its headquarters into a ‘Twitter Hotel’




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Twitter’s top content moderation executive Ella Irwin resigns

As head of Trust and Safety, Irwin helped oversee Twitter’s policies on harassment, hate speech and violent content — rules which were relaxed under new owner Elon Musk




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WhatsApp to roll out redesigned keyboard

WhatsApp redesigned keyboard will include the emoji category bar




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India’s FTAs with EU, UK, Canada may not bring in significant gains, says report

Insignificant market access, introduction of new issues, a double whammy




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CAGs of India, Chile sign MoU to support capacity building

Murmu is currently on an official visit to Chile




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Rahul Gandhi joins bypoll campaign in Wayanad, vows to make it global tourism hub

Campaigning for Priyanka Gandhi, Rahul Gandhi says people of Wayanad have taught him that the ‘word love has a great place in politics’




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Wayanad bypoll: Priyanka Gandhi leads roadshow with Rahul on last day of campaigning

Addressing the crowd after roadshow, Priyanka Gandhi expresses her appreciation for diverse communities within Wayanad constituency




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Wayanad bypoll: LDF accuses Priyanka Gandhi of ‘misusing’ religious places for election campaign, moves ECI

Complaint lodged by LDF Wayanad Parliamentary Committee says Congress violated electoral rules and regulations




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Munambam issue animates politics in the waning hours of bypoll campaign

Opposition is mindful that a rightward drift in traditionally pro-UDF Christian votes catalysed BJP’s win in the Thrissur Lok Sabha constituency. CPI(M) reckons that splitting minority votes on religious lines may benefit BJP




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Exporting ideology [electronic resource] : the right and left of foreign influence / Pol Antras, Gerard Padro I Miquel

Cambridge, MA. : National Bureau of Economic Research, 2023




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Maharashtra Assembly elections 2024: Shiv Sena (UBT) contestants spread awareness about their new symbol in poll campaign

"We are now aggressively working on spreading awareness about our symbol 'mashaal'," MLA Udaysingh Rajput said, adding that he will also raise farmers' woes as part of his campaign




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Rail Minister too busy with bullet train, Mumbai passengers ignored: Raut on Bandra stampede

Mr. Raut also hit out at the NDA government at the Centre over some of the railway accidents in the country during its tenure




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Enhancing Military Diplomacy in the Indo-Pacific: A US Foreign Area Officer’s Perspective

Enhancing Military Diplomacy in the Indo-Pacific: A US Foreign Area Officer’s Perspective Enhancing Military Diplomacy in the Indo-Pacific: A US Foreign Area Officer’s Perspective

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How Will the Prabowo Administration Shape Indonesia’s Foreign Policy as a Middle Power?

How Will the Prabowo Administration Shape Indonesia’s Foreign Policy as a Middle Power? How Will the Prabowo Administration Shape Indonesia’s Foreign Policy as a Middle Power?

jacksonl




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​​Vietnamese Perspective on the Significance of the US-Australia Alliance in Southeast Asian Security​

​​Vietnamese Perspective on the Significance of the US-Australia Alliance in Southeast Asian Security​ ​​Vietnamese Perspective on the Significance of the US-Australia Alliance in Southeast Asian Security​

jacksonl




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The tell-tale signs of urban heat stress       

Several Indian cities sizzle under relentless temperatures this summer 




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Lithuania's Social Democratic Party signs coalition agreement




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North Korea jams GPS signals for 5th straight day: South Korea




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Kerala launches campaign against misuse of antibiotics




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'My most happiest': Priyanka Gandhi ends Wayanad bypoll campaign with Malayalam touch




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Guru Nanak Jayanti 2024: Know date, time and significance of festival

Guru Nanak Dev Ji, the founder of Sikhism, was the first of the ten Sikh gurus and is recognised as a philosopher, poet, and spiritual leader. He emphasised the principles of equality, compassion, and devotion to one universal God.




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Tessolve to acquire German chip design company for up to ₹400 crore

It will expand Tessolve’s European operations by adding four delivery locations across Germany and the Netherlands, including a specialized ADAS and imaging centre-of-excellence lab




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Freshworks asks 660 employees to leave as part of ‘global realignment’

The move is expected to result in $11 million to $13 million in charges in the fourth quarter of 2024, consisting primarily of cash expenditure for separation-related payments, employee benefits and related costs




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Indian IT sector lags in global RPE standards, yet digital shift signals growth potential

The Indian IT sector, while traditionally emphasising cost-effective outsourcing, is gradually evolving to enhance RPE and profitability through investments in upskilling and digital innovation




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Design, synthesis, biological evaluation and molecular docking studies of quinoline-anthranilic acid hybrids as potent anti-inflammatory drugs

Org. Biomol. Chem., 2024, Advance Article
DOI: 10.1039/D4OB00040D, Paper
Sidra Siddique, Khalid Hussain, Naureen Shehzadi, Muhammad Arshad, Muhammad Nadeem Arshad, Sadaf Iftikhar, Farhat Saghir, Ayisha Shaukat, Muhammad Sarfraz, Nisar Ahmed
Despite the high global prevalence, rheumatoid arthritis lacks a satisfactory treatment.
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Design, synthesis, and biological application of A–D–A-type boranil fluorescent dyes

Org. Biomol. Chem., 2024, Advance Article
DOI: 10.1039/D4OB00297K, Paper
Wei Luo, Yiling Li, Liang Wang, Yanhua Qin, Qiao Cheng, Guochang Hu, Chaoyi Yao, Xiangzhi Song
Acceptor–donor–acceptor boranil fluorescent dyes, CSU-BF-R (R = H, CH3, and OCH3), were developed with strong red fluorescence and large Stokes shifts. CSU-BF-OCH3 could selectively sense intracellular hypochlorous acid in living cells and zebrafish.
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Measuring local pH at interfaces from molecular tumbling: A concept for designing EPR-active pH-sensitive labels and probes

Org. Biomol. Chem., 2024, Advance Article
DOI: 10.1039/D4OB00167B, Paper
Open Access
Maxim A. Voinov, Nicholas Nunn, Roshan Rana, Atli Davidsson, Alex I. Smirnov, Tatyana I. Smirnova
EPR-based local pH measurements based on changes in rotational dynamics of spin-bearing molecules upon protonation.
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Deep diving into design philosophies

Airbus and Boeing differ in their approach to automation




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Apple AirPods Pro’s new hearing aid feature could help people face a problem they’d rather ignore

Millions who could benefit from hearing aids have never tried them, but the Apple AirPods could change this




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Rapid assessment of pulse polio campaign shows high vaccine coverage, highlights gaps in Chennai

Chennai accounted for nearly 21% of the non-vaccinated children, highlighting the gaps in an urban area and the need for targeted community outreach




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Polio in Pakistan: Another vaccination campaign begins after worrying surge

Pakistan regularly launches such campaigns, but violence targeting the health workers and police assigned to escort them is common




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Third phase of polio vaccination campaign to resume in northern Gaza: WHO-UNICEF

“Despite the lack of access to all eligible children in northern Gaza, the Polio Technical Committee for Gaza has taken the decision to resume the campaign,” a joint statement by UNICEF and WHO said




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Why I Won't Mind Campaigning For Kangana

'Since we are in the same party now, there has to be political camaraderie if nothing more.'




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'Happy Performances Are Usually Ignored'

'If people think that films that are happy or light, or comedy or romance are not substantial, that's not true.''I was really happy when this award was given for Thiruchitrambalam because it highlights that.'




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Role of soft skills in industrial and product design career success: Preparing next generation of designers

Kushal Karwa, a thought leader in design education, emphasizes the need for integrating soft skills training into career preparation programs to help young designers thrive in real-world environments.