tim

In silico design of misfolding resistant proteins: the role of structural similarity of a competing conformational ensemble in the optimization of frustration

Soft Matter, 2024, 20,3283-3298
DOI: 10.1039/D4SM00171K, Paper
Bondeepa Saikia, Anupaul Baruah
The degree of similarity of the non-native conformations to the target plays a prominent role in designing misfolding resistant protein sequences.
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Correction: Sizing multimodal suspensions with differential dynamic microscopy

Soft Matter, 2024, 20,3376-3376
DOI: 10.1039/D4SM90050B, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Joe J. Bradley, Vincent A. Martinez, Jochen Arlt, John R. Royer, Wilson C. K. Poon
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Effect of equilibration time on the structural gradient in the vertical direction for bicontinuous microemulsions in Winsor-III and -IV systems

Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01741A, Paper
Douglas G. Hayes, Brian A. Barth, Sai Venkatesh Pingali
Both equilibration time and the transfer of Winsor-III microemulsion systems from one container to another affect the structure of the bicontinuous phase in the vertical direction.
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Optimizing methanol synthesis from CO2 using graphene-based heterogeneous photocatalyst under RSM and ANN-driven parametric optimization for achieving better suitability

RSC Adv., 2024, 14,12496-12512
DOI: 10.1039/D4RA00578C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ramesh Kumar, Jayato Nayak, Somnath Chowdhury, Sashikant Nayak, Shirsendu Banerjee, Bikram Basak, Masoom Raza Siddiqui, Moonis Ali Khan, Rishya Prava Chatterjee, Prashant Kumar Singh, WooJin Chung, Byong-Hun Jeon, Sankha Chakrabortty, Suraj K. Tripathy
Assessment of the performance of linear and nonlinear regression-based methods for estimating in situ catalytic CO2 transformations employing TiO2/Cu coupled with hydrogen exfoliation graphene (HEG) has been investigated.
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Bishydrazone ligand and its Zn-complex: synthesis, characterization and estimation of scalability inhibition mitigation effectiveness for API 5L X70 carbon steel in 3.5% NaCl solutions

RSC Adv., 2024, 14,13258-13276
DOI: 10.1039/D4RA00404C, Paper
Open Access
Ola. A. El-Gammal, Dina A. Saad, Marwa N. El-Nahass, Kamal Shalabi, Yasser M. Abdallah
Zn-complex: characterization and estimation of scalability inhibition mitigation effectiveness for API 5L X70 carbon steel in 3.5% NaCl solutions.
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Engineering the interaction of short antimicrobial peptides with bacterial barriers

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00021H, Minireview
Open Access
Costanza Montis, Elisa Marelli, Francesco Valle, Francesca Baldelli Bombelli, Claudia Pigliacelli
Designing short antimicrobial peptides and tuning their interaction with bacterial barriers.
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A fruitful time for migrant labourers

The apple season in Himachal Pradesh spells good earnings for workers from India and Nepal




tim

The healing touch in troubled times

How a hospital in rural Kashmir coped during the lockdown




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MGNREGA: A welcome salve in pandemic times

In Himachal Pradesh, the scheme comes as a breather to those who lost their jobs




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Efficient bionic nanozyme based on AuPt NPs@ZIF-90 used for cyclic catalysis multimodal tumor therapy

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01987C, Paper
Wan Huang, Song Zhang, Li Luo, Yalong Pan, Lijun Han, Yao Yu
Novel efficient bionic nanozyme based on AuPt NPs@ZIF-90 used for cyclic catalysis multimodal tumor therapy.
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tim

Multimodal layer-by-layer nanoparticles: a breakthrough in gene and drug delivery for osteosarcoma

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01541J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Eugenia Crisafulli, Annachiara Scalzone, Chiara Tonda-Turo, Joel Girón-Hernández, Piergiorgio Gentile
This study explored biodegradable nanoparticles for treating osteosarcoma. Co-delivery of miRNA-34a, doxorubicin, and resveratrol by LbL nanocoating enhanced apoptosis and cell disruption with promise to improve efficacy and reduce drug resistance.
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tim

Bigg Boss' Sapna's 'Lifetime' Memories

For her second outing, she picked a Ruby Fang knee-length white dress with a silver cape.





tim

Ray — wired to modern times

The new Netflix anthology, based on the works of Satyajit Ray, is an exploration of minds in the throes of existential crises




tim

Time Management is passé

The new fight is about managing the mind and distractions




tim

Loki throws the timelines of the worlds out of sync

In the latest offering from Marvel Cinematic Universe, Loki goes in search of a variant — one creating nexus events




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Nanozyme linked multi-array gas driven sensor for real-time quantitative detection of Group A streptococcus

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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Liquid saliva-based Raman spectroscopy device with on-board machine learning detects COVID-19 infection in real-time

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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tim

Time for a trailer on Facebook



  • A J Vinayak

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A time-independent, variational method for studying the photodissociation of triatomic molecules

Phys. Chem. Chem. Phys., 2024, 26,27519-27529
DOI: 10.1039/D4CP02771J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Marco Pezzella, Georgi Mitev, Sergei N. Yurchenko, Jonathan Tennyson, Alexander O. Mitrushchenkov
The photodissociation of molecules is becoming an increasingly important factor to consider in the evolution of exoplanets' atmospheres orbiting around UV-rich stars, as it leads to the enrichment of atmospheric complexity.
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First-principles study on the lithiation process of amorphous SiO anode for Li-ion batteries with Bayesian optimization

Phys. Chem. Chem. Phys., 2024, 26,27561-27566
DOI: 10.1039/D4CP02533D, Paper
Ryoya Shintaku, Tomoyuki Tamura, Shogo Nogami, Masayuki Karasuyama, Takakazu Hirose
Bayesian optimization allows theoretical investigation of the lithiation process of amorphous SiO anode materials for lithium (Li) ion batteries (LIBs).
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Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03392B, Paper
Yi Huang, Changqing Lin, Yang Xue, Bingyuan Huang, Dan Huang
Former studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments...
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Morphology optimization via pre-aggregation and miscibility matching in PM6:L8-BO ternary organic solar cells

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03206C, Paper
Chuyue Wei, Junwei Zhang, Jing Deng, Xiangyan Yang, Jiahui Luo, Zixiao Xu, Lin Zhang, Shuaishuai Yuan, Weihua Zhou
Pre-aggregation and miscibility matching accounting for morphology optimization in ternary organic solar cells based on a PM6:L8-BO system.
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Forest guide at Thattekkad Bird Sanctuary, Sudha Chandran, speaks of a lifetime in bird watching

Winner of the PV Thampy Memorial Endowment Award, Sudha Chandran, on her deep-rooted connection with the forest



  • Life & Style

tim

Financial planning crucial for first-time buyers



  • Q & A

tim

The Importance of Title Tags: Tips and Tricks to Optimize for SEO

When it comes to on-page SEO, there’s one element that plays a pivotal role in both search engine rankings and user engagement: the HTML title tag. Often overlooked, this small but mighty piece of code can have a significant impact on how your website is perceived by search engines like Google and by potential visitors browsing the search engine results pages.




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Recent progress and prospects of dimer and multimer acceptors for efficient and stable polymer solar cells

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00895A, Review Article
Open Access
Jin-Woo Lee, Jin Su Park, Hyesu Jeon, Seungjin Lee, Dahyun Jeong, Changyeon Lee, Yun-Hi Kim, Bumjoon J. Kim
This review summarizes the recent progress, key design principles and prospects of dimer and multimer acceptors for developing polymer solar cells (PSCs) with high efficiency and long-term stability.
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tim

Mahindra Racing cautiously optimistic for 2024-25 season




tim

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.




tim

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

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




tim

HIL to return after 7 long years; women's event added for first time

While the men's competition will have eight teams, six sides will feature in women's event which is being held for the first time.




tim

Time out / Sean Hayes, Todd Milliner, and Carlyn Greenwald

Hayes, Sean, 1970- author




tim

Fernwood forest / written by Brenda Boreham ; illustrated by Laura Timmermans

Boreham, Brenda, author




tim

Chasing the sun / Timothy Musso

Musso, Timothy, author, illustrator




tim

Market disruption takes intimate turn

How India launched 60-plus Internet-first innerwear brands, more than any other country except the US




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Fluorination of antimonene hexagons

Chem. Commun., 2024, 60,13336-13339
DOI: 10.1039/D4CC03423F, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Michael Fickert, Rebeca Martinez-Haya, Diego López-Alcalá, Frank Hauke, José J. Baldoví, Andreas Hirsch, Gonzalo Abellán
Fluorination of two-dimensional antimonene hexagons synthesized through colloidal synthesis has been reached using CF4 plasma through a reactive ion etching process.
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Machine Learning Directed Discovery and Optimisation of a Platinum-Catalysed Amide Reduction

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05273K, Communication
Open Access
Eleonora Casillo, Benon Maliszewski, Cesar Blanco, Thomas Scattolin, Catherine Cazin, Steven P Nolan
The discovery and optimisation of reaction conditions leading to the reduction of amides, a fundamental large-scale industrial reaction, is achieved using a machine learning (ML) platform and a platinum catalyst....
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Structural optimization of icaritin for advanced cancer: novel carbamates via oral administration

New J. Chem., 2024, Advance Article
DOI: 10.1039/D3NJ05723B, Paper
Fengxiao Li, Weiping Wang, Jiaqi Fan, Yixiu Zhai, Jiaming Zhang, Tianhong Zhang, Qikun Jiang
Carbamates of icaritin (3N-Me and 3N-Et) are synthesized first to overcome the challenge of the phase II metabolism of ICT. 3N-Me has potential as a novel advanced cancer treatment agent via oral administration in the future.
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Tailoring of novel morpholine-sulphonamide linked thiazole moiety as dual targeting DHFR/DNA gyrase inhibitors: Synthesis, antimicrobial, antibiofilm activities and DFT with molecular modelling studies

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D3NJ05774G, Paper
Moaz M. Abdou, Essam Eliwa, Mohamed Abdel Reheim, Ahmed Abu-Rayyan, Shimaa M. Abd El-Gilil, Mohammed Abu-Elghait , Mohamed H. Sharaf, Mohamed Kalaba, Ahmed Halawa, Walid Elgammal
Herein, the chemical synthesis of new thiazoles-based benzenesulfonamide-linked morpholine 4a,b–7 via late-stage thiazolation of the corresponding thiosemicarbazone 3 was reported. The skeletal formulas of the new compounds were confirmed by...
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Efficient elimination of Hg(II) from water bodies with acid-modified magnetic biomass spent tea leaves: conditional optimization and application

New J. Chem., 2024, 48,7413-7429
DOI: 10.1039/D4NJ00576G, Paper
Dingli Cheng, Yiwen Li, Xinyu Zheng, Yongfu Guo
To effectively enhance the resource utilization of biomass waste, a acid-modified magnetic biomass spent tea leaves (NiFe2O4/STLs) was prepared via the pyrolysis and co-precipitation methods and used to eliminate mercury (Hg(II)) from water bodies.
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Copper(II) complexes of sterically hindered phenolic Schiff bases: synthesis, characterization, interaction with biomolecules, and antioxidant and antimicrobial activity

New J. Chem., 2024, 48,7134-7147
DOI: 10.1039/D4NJ00430B, Paper
Iveta S. Turomsha, Maxim Y. Gvozdev, Nikolai P. Osipovich, Viktoryia A. Staravoitava, Dmitriy I. Shiman, Natalia V. Loginova
Phenolic Schiff bases and their Cu(II) complexes have been synthesized and characterized by physicochemical methods. The complexes exhibit low cell toxicity and high antioxidant and antibacterial activity, as evidenced by molecular docking studies.
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Enhance your prompts with Vertex AI Prompt Optimizer

Vertex AI Prompt Optimizer, a new managed automated prompt engineering service, can help save time and effort in prompt engineering while ensuring performing prompts ready for your generative AI applications.




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Once upon a time ... Mumbai storyteller Usha Venkatraman on the many ways to relate a fable

Storyteller Usha Venkatraman on what makes the age-old tradition of oral narration reach out to new audiences



  • Life & Style

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Real-time assessment of the impacts of polystyrene and silver nanoparticles on the hatching process and early-stage development of Artemia using a microfluidic platform

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN00116H, Paper
Preyojon Dey, Terence M. Bradley, Alicia Boymelgreen
Development of real-time in situ monitoring techniques is crucial for a mechanistic understanding of the impacts of pollution on the marine environment.
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