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In silico validation of allosteric inhibitors targeting Zika virus NS2B–NS3 protease

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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Oxidation of fine aluminum particles: thermally induced transformations in particle shells and kinetics of oxide nucleation

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

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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Fundamental basis of mechanochemical reactivity

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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Two-dimensional Janus XWZAZ' (X = S, Se, Te; A = Si, Ge; Z, Z' = N, P, As): candidates for photocatalytic water splitting and piezoelectric materials

Phys. Chem. Chem. Phys., 2024, 26,27314-27324
DOI: 10.1039/D4CP03503H, Paper
Zhen Gao, Hongbo Wu, Yao He, Kai Xiong
Janus two-dimensional (2D) materials exhibit strong light absorption and high solar-to-hydrogen conversion efficiency, making them promising candidates for photocatalytic water splitting applications.
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DFT rationalization of the mechanism and selectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01700E, Paper
Guowei Yan, Ji Ma, Simeng Qi, Alexander M. Kirillov, Lizi Yang, Ran Fang
The mechanism, regioselectivity, and chemoselectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols to give furan-3-carboxylate derivatives were explored by density functional theory (DFT).
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Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03677H, Paper
Francielle C Machado, Mateus M Quintano, Carlos Vital dos Santos Junior, Albano Carneiro Neto, Elfi Kraka, Ricardo Luiz Longo, Renaldo Tenorio Moura Jr.
{This study provides new theoretical insights into the vibrational spectra of Ln(III) complexes, along the lanthanide series by utilizing the LModeAGen protocol and integrating cutting-edge topological ideas. It provides a...
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Deciphering the spectroscopic and thermodynamic aspects of binding of biologically important antioxidants with the alkali induced state of human serum albumin

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03636K, Paper
Anjali Maheshwari, Nand Kishore
Protein–ligand interactions are crucial for developing and identifying novel therapeutic targets.
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Radiolytic degradation of selective actinide extractants from the bis-1,2,4-triazine family in cyclohexanone solutions

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02623C, Paper
Adrian Sulich, Jan Grodkowski, Krzysztof Bobrowski
Absorption spectra of transients derived from bis-1,2,4-triazine ligands in cyclohexanone solutions mimicking the extraction system studied by pulse radiolysis. The addition of benzophenone and saturation by O2 protect ligands from radiation damage.
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Children across India to fold origami paper cranes in memory of Sadako Sasaki

The Cuckoo Movement for Children and the Peace of Paper studio invite children to fold origami paper cranes in memory of Sadako Sasaki, whose death anniversary falls on October 25




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Singer Dana Razik and her family feature in an original musical production, Rooh-E-Mardem

Dana Razik and her family unite for an original music video Rooh-E-Mardem



  • Life & Style

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How Studio Saar’s The Third Space in Udaipur spotlights the power of community 

Drawing from Udaipur’s traditional havelis, The Third Space in Udaipur aims at being a space for locals to engage in a range of workshops and activities



  • Life & Style

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Dark and disturbing: ‘Killer Joe’ by Tracy Letss to be staged in Hyderabad

Directed by Sandeep Tadi, the play is a collaboration between Storyboard Productions and Preksha Theatre Company




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World Kindness Day celebration brings community art to Chennai

Chennai celebrates kindness through a 20-feet-wide canvas decorated and painted over three days by more than 1,200 people A celebration of kindness brings Chennai together through community art, shared traditions and meaningful gestures



  • Life & Style

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Eeshaan Kashyap for Sarita Handa | In the mood for ghungroo

Musical anklets, traditional blooms and an old textile motif are reimagined in this Eeshaan Kashyap for Sarita Handa collection



  • Homes and gardens

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Q & A: What is the standard car park stall size as per CMDA norms?

Your construction-related queries answered by Green Evolution, a Chennai-based architectural service firm



  • Q & A

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Building a firm foundation in vacuum technology

Sponsored article: One company's evolution from a small component manufacturer to a major supplier of precision vacuum equipment highlights the importance of expert knowledge for winning customer trust




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Targeted protein degradation directly engaging lysosomes or proteasomes

Chem. Soc. Rev., 2024, 53,3253-3272
DOI: 10.1039/D3CS00344B, Tutorial Review
Open Access
Jiseong Kim, Insuk Byun, Do Young Kim, Hyunhi Joh, Hak Joong Kim, Min Jae Lee
This review delineates emerging technologies for targeted protein degradation that directly involve lysosomes or proteasomes. It explores their unique features, advantages, and limitations, offering perspectives on future therapeutic applications.
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Low oxidation state and hydrido group 2 complexes: synthesis and applications in the activation of gaseous substrates

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D4CS00097H, Review Article
Matthew J. Evans, Cameron Jones
This review summarises advances in the chemistry of low-oxidation state and hydrido group 2 metal complexes, focussing on their use for the reductive activation of feed-stock gaseous small molecules, and their subsequent transformation into value added products.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Degradable biomedical elastomers: paving the future of tissue repair and regenerative medicine

Chem. Soc. Rev., 2024, 53,4086-4153
DOI: 10.1039/D3CS00923H, Review Article
Ben Jia, Heyuan Huang, Zhicheng Dong, Xiaoyang Ren, Yanyan Lu, Wenzhi Wang, Shaowen Zhou, Xin Zhao, Baolin Guo
This review critically analyzes degradable biomedical elastomers, focusing on their degradation, synthesis, microstructure, and role in tissue repair. It guides experts in balancing degradation with tissue repair for improved applications.
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The mechanism of water oxidation using transition metal-based heterogeneous electrocatalysts

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01031G, Review Article
Shujiao Yang, Xiaohan Liu, Sisi Li, Wenjie Yuan, Luna Yang, Ting Wang, Haoquan Zheng, Rui Cao, Wei Zhang
The oxygen evolution reaction (OER) mechanisms using transition metal-based electrocatalysts are instrumental in providing novel insights into both natural and artificial energy conversion processes.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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On the fundamentals of quantum rate theory and the long-range electron transport in respiratory chains

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Daily Quiz | On history of the World Championships 

With the 75th edition of Formula 1 World Championship going to commence from February 29 in Bahrain, here’s a quiz on the history of the World Championships held so far




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A day to remember for Arjun Rao & Satish Rajagopal




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Australia to hold 2025 F1 season opener instead of Bahrain due to Ramadan

The 24-race season will commence on March 16 in Melbourne and end on Dec. 7 in Abu Dhabi as Formula One celebrates the 75th anniversary of its world championship.




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Gaurav Gill finishes Day 1 of Otago Rally in top-three

Gaurav Gill and his New-Zealand-based co-driver Jared Hudson were third on the timesheets, a little over 30 seconds behind overall leader Jack Hawkeswood and 11 seconds adrift of second-placed Robbie Stokes




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Daruvala scores his first points in Formula E at Misano ePrix




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McLaren’s quest to reclaim its glory days is well on track

After a dismal decade of underperformance, Formula One’s second-most-successful team has begun to turn things around. A runner-up finish this season, which is well within reach, will mark a definite inflection point in its protracted bid to rejoin the grid’s elite




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INRC Rally of Coimbatore | Aditya Thakur leads the pack on day one




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Red Bull braces for its most formidable challenge yet

Led by the irresistible Verstappen, the outfit, over the last three years, has ended Mercedes’ dominance. But amidst an upheaval among its personnel, exits of key strategists, an underperforming driver and increasing competition, Red Bull has its back to the wall. As the F1 circus regroups at Zandvoort on Sunday, can the reigning champion handle the tricky transition phase that has tripped many a successful sporting franchise?




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Safety concerns dominate chaotic opening day of Chennai night street race

The opening day of the weekend turned out to be a damp squib for the fans as the organisers couldn’t get the circuit ready in time for the action to start




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Indian Racing Festival | Chennai dazzles under lights with action-packed races

The on-track drama was exciting, and barring a minor incident during the first Indian Racing League race, the event passed off without hiccups.




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A humdinger looms in the three-day Indian National Motorcycle Racing Championship

The contenders across all categories are closely bunched as the fourth round of the INMRC gets under way on September 6




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Verstappen made to complete a day of community service for swearing

Say what




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Daniel Ricciardo released by Red Bull F1 team; replaced by Liam Lawson for rest of 2024 season

The 35-year-old Ricciardo knew at the Singapore Grand Prix it was likely his final F1 race




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Mercedes Benz launches the new E-Class LWB business sedan

Mercedes-Benz India has launched the much-anticipated all-new E-Class Long Wheelbase Known for its impeccable blend of luxury, technology, and comfort, the E-Class remains the most successful luxury sedan in India, cementing its legacy as the longest-running production car in the Indian market since its introduction in 1995.




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Honda Motorcycle and Scooter India unveils India’s first 300cc flex-fuel bike 

Honda Motorcycle &and Scooter India has launched the new CB300F Flex-Fuel, marking a notable step towards environmentally friendly mobility solutions in India. The motorcycle is India’s first 300cc flex-fuel vehicle and aligns with the country’s broader goals of promoting greener technologies. 




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From being hapless victim of a TV sting to Olympic medallist: Lalit Upadhyay's journey to stardom

Indian men's hockey team striker Lalit Upadhyay has worked hard to rebuild his career and considers all the setbacks as blessings in disguise.




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

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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Daily Quiz | On Indian men hockey team’s showing in the Olympics over the years

Test yourself on the Indian men hockey team’s showing in the Olympics over the years




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India defeats Spain 2-1 to clinch second consecutive bronze medal at Paris Olympics

The bronze medal was indeed a fitting farewell for the goalkeeper P.R. Sreejesh. India wins back-to-back medals in hockey after 52 years.




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Paris Olympics: Bronze medal is important for better future of Indian hockey, says Dilip Tirkey

For its rich history and the folklore stuff Indian hockey has provided for 96 years in the Olympics, it is not surprising when the countrymen react emotionally to an Olympic high.




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Amit Rohidas on red-card incident: I am indebted to teammates for not once letting me feel ostracized

Rohidas was penalised in the 17th minute of the quarterfinals for a swinging stick that inadvertently struck British forward Will Calnan in the face.




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Harmanpreet and Co. have strong foundation for Los Angeles 2028 gold, says Mike Horn

The Swiss motivational coach's intense three-day mental toughness boot camp in the Alps pushed Harmanpreet and Co to their limits, in adventure tasks that also helps in coming out of their comfort zones and also form strong bond .




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Watch: Remembering Dhyan Chand | National Sports Day

As we celebrate National Sports Day, we honour Major Dhyan Chand’s legacy




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Harmanpreet is costliest buy on day one of HIL auctions




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Shocking omissions mark second day of HIL auction




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




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Shipping FAQ Update!

We've totally changed the way we ship stuff, so today we've replaced our long-standing Shipping FAQ File. Stuff's flowing out quickly now, and there are no pre- or back-orders: If it's for sale, it's in stock!




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Storm Update

We're back in full operation, but it hasn't been an easy week. The boss brings us up to date on the aftermath of the 2011 Birmingham tornado.