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Unraveling Aqueous Alcohol Freezing : new theoretical tools from graph theory to extract molecular processes in MD simulations

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00165F, Paper
Rawan AbouHaidar, Sana Bougueroua, Denis DUFLOT, Marie-Pierre Gaigeot, Barbara E Wyslouzil, Celine Toubin
Ice clouds in the upper troposphere are crucial for regulating Earth’s climate by affecting stratospheric humidity and the global radiative balance. A key aspect of cloud formation is heterogeneous ice...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Business analysis techniques [Electronic book] : 72 essential tools for success / James Cadle, Debra Paul and Paul Turner.

London : British Computer Society, [2010]




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Tetrazine-based inverse-electron-demand Diels–Alder reaction: a powerful tool for fabrication and functionalization of polymeric materials

Polym. Chem., 2024, 15,4173-4195
DOI: 10.1039/D4PY00912F, Review Article
Open Access
Mehmet Arslan, Aysun Degirmenci, Rana Sanyal, Amitav Sanyal
The IEDDA click reaction plays an important role in the fabrication and functionalization of polymeric materials.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Advancing cerumen analysis: exploring innovative vibrational spectroscopy techniques with respect to their potential as new point-of-care diagnostic tools

Analyst, 2024, 149,5381-5393
DOI: 10.1039/D4AN00868E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Edoardo Farnesi, Matteo Calvarese, Chen Liu, Carl Messerschmidt, MohammadSadegh Vafaeinezhad, Tobias Meyer-Zedler, Dana Cialla-May, Christoph Krafft, Jonas Ballmaier, Orlando Guntinas-Lichius, Michael Schmitt, Jürgen Popp
The study demonstrates the potential of advanced vibrational spectroscopy to reveal the complex molecular composition of cerumen, suggesting its promising application as a non-invasive diagnostic tool for identifying disease-related biomarkers.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Structural determination of fructooligosaccharides and raffinose family oligosaccharides using logically derived sequence tandem mass spectrometry

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00872C, Paper
Chia Yen Liew, Wun-Long Li, Chi-Kung Ni
Logical procedures for structural determination of fructooligosaccharides and raffinose family oligosaccharides.
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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SERS in 3D cell models: a powerful tool in cancer research

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01049J, Review Article
Open Access
Lara Troncoso-Afonso, Gail A. Vinnacombe-Willson, Clara García-Astrain, Luis M. Liz-Márzan
3D cancer models recapitulate the tumor microenvironment and serve as a platform to study cancer cell behavior, drug discovery and early diagnosis, which can be monitored chemically with subcellular resolution in real time, via SERS.
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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My science tools / Julie K. Lundgren

Lundgren, Julie K., author




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A rapid and selective “on-off” fluorescence detection of lethal pulmonary agent phosgene with theoretical approach: a cost-effective sensing tool for household bleach and soil analysis

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00774C, Paper
Malavika S. Kumar, Malay Dolai, Avijit Kumar Das
A fluorescent probe, 4-(di-phenylamino)-benzaldehyde oxime (DPBO), has been developed comprising of 4-(diphenylamino) benzaldehyde as the fluorophore and hydroxyl amine, where the resutant oxime group leads to the formation of a...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Evolving the Responsible Generative AI Toolkit with new tools for every LLM

The Responsible Generative AI Toolkit is being expanded with new features to support responsible AI development across all LLMs, including SynthID Text for watermarking.




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Mg–Al LDH nanosheets as a nanotechnological tool in agriculture: an exploratory toxicity evaluation study

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D3EN00733B, Paper
Rafael Salinas-Jiménez, Gloria Vera, Mariola Tobar, Jeimy Moscote, Giovana Acha, Ariel Herrera-Vásquez, Diego Rojas-Rivera, Elena A. Vidal, Andrea Miyasaka Almeida, Manuel Ahumada
The possible toxicity effect of Mg–Al LDH nanosheets was evaluated on some agricultural target organisms. Overall, nanoparticle innocuity was observed at the tested concentrations, showing a low risk of toxicity for its agricultural implementation.
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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Meta launches more parental supervision tools for Instagram. Is it enough?

Many of the features require minors and their parents to opt in, raising questions about how effective the measures are




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‘AI tooling is helping us do more for less,’ Cognizant CEO

The CEO said that the company’s AI strategy was utilised to increase speed, reduce costs and improve the predictability of clients’ data modernisation journeys




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DevTools Digest - Chrome 35: Updates to the Developer Tools in Chrome 35

Updates to the Chrome Developer Tools: CSS property quick search, memory stats for heap snapshots, CodeMirror upgrade and more.




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Google brings AI-powered Gmail writing tools and ‘Polish’ to more users

Google is expanding its generative AI-powered email drafting tools to more users with new and enhanced shortcuts on web and mobile




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OpenAI’s Whisper transcription tool used in hospitals invents things no one ever said, researchers claim

Whisper is a popular transcription tool powered by artificial intelligence, but it has a major flaw




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Making working relationships work : the TRIPS toolkit for handling relationship challenges and promoting rapport / Helen Spencer-Oatey, Domna Lazidou.

Melbourne, Victoria : Castledown, 2024.




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How to Make Stone Tools

If you're in the wilderness and have nothing, perhaps the most important thing you need is a sharp, durable edge. Humans are among the weakest species on the planet and tools are what help us compensate for that lack of strength. Dr. Bill Schindler, a professor of archeology and anthropology at Washington College, explains how to construct some primitive stone tools that could be useful in a survival situation.




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The Digital Tools to Expect in the Workplace of the Future | WIRED x Ezra

Most business leaders agree that remote working is here to stay. So how can businesses successfully adapt to this shift, and what have they already learnt? Along with their partner Ezra, WIRED Consulting convened leaders from Cisco, AzstraZeneca and Ovo to dive into this topic.




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Using AI as a creative tool with artist and stage designer Es Devlin | WIRED Live

Artist and stage designer Es Devlin has created stage sculptures for Beyoncé, Billie Eilish, the WEEKND and U2 and now at WIRED Live, she discusses her approach to creativity; AI as a creative tool; and the future of live experiences. "The practice has changed beyond recognition."




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5 Gadgets - Testing Multi-Tool Gadgets with Kristen Wiig & Will Forte | WIRED

MacGruber is a master when it comes to getting the most out of objects, so who better to test multi-tool gadgets than Will Forte and Kristen Wiig? Peacock’s original comedy series, MACGRUBER, based on the iconic SNL parody sketch and cult-favorite 2010 film, is back! Starring Will Forte and Kristen Wiig, stream it now - only on Peacock




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A miniaturized microplasma excitation source coupled with photochemically induced volatile species generation as a cost-effective tool for in situ mercury pollution analyses

J. Anal. At. Spectrom., 2024, Advance Article
DOI: 10.1039/D4JA00306C, Technical Note
Open Access
Tymoteusz Klis, Pawel Pohl, Anna Dzimitrowicz, Piotr Jamroz
A portable, miniaturized atmospheric microplasma discharge system coupled with the photochemical vapour generation was developed for the sensitive Hg determination in water samples using OES.
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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Use Your Social Network as a Tool for Social Justice

The good news is that majority group members and men have an immense source of power at their disposal to prevent and confront bias in the workplace: their social networks. Here is how you can take action.

You have a bigger sphere of influence than you realize. Most people think about their immediate circle of friends as their audience. However, research in the study of social networks has shown they are wrong. Your ideas and behaviors ripple out from you, influencing your friends, friends of friends whom you may not even know, and friends of those friends as well. In fact, a whole range of outcomes are influenced by these third order ties – your weight, your values and beliefs, even your risk of divorce. This is your sphere of influence, in both your place of work and your daily life.




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Risk Assessment Tools

A risk assessment tool is a piece software that assists businesses in identifying risks, evaluate their severity and devise mitigation strategies. Such tools can also improve internal communication and document management procedures, while also reducing operational costs. A matrix is commonly used in risk assessment software to help companies determine the likelihood of an event […]




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On-line Technologies and Games Mainly because an Educational Tool

Online systems and video games more helpful hints often get a bad hiphop from father and mother and educators who make an effort to pull kids away from the screens and encourage them to carry out more educational or much healthier activities. Yet , what if we embraced the technology and allowed children to play […]




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Supramolecular gels: a versatile crystallization toolbox

Chem. Soc. Rev., 2024, 53,10604-10619
DOI: 10.1039/D4CS00271G, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Rafael Contreras-Montoya, Luis Álvarez de Cienfuegos, José A. Gavira, Jonathan W. Steed
Supramolecular gels are unique materials formed through the self-assembly of low molecular weight gelators (LMWGs). Their versatility has allowed the expansion of gel crystallization processes, giving a new impetus to this field.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Tax-Exempt Lobbying: Corporate Philanthropy as a Tool for Political Influence [electronic journal].

National Bureau of Economic Research




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Leave them Kids Alone! National Exams as a Political Tool [electronic journal].




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Interest Rate Uncertainty as a Policy Tool [electronic journal].

National Bureau of Economic Research




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Solutions and Tools for Dealing with Broken Links in Web Pages

A couple of months ago a post by Leo Blanchette got to the front page of Hacker News and there was an interesting discussion on dealing with broken links and external content – the main problem being links that become out of date due to paywalls, altered content, or content getting taken down.

I’ve been running this blog since May 2008. If you’ve run a content-driven site for even a fraction of that, you know that link rot is a problem. In this post I’ll go over some of the suggestions in that thread along with some tools to use to check for broken links.

The post Solutions and Tools for Dealing with Broken Links in Web Pages appeared first on Impressive Webs.



  • HTML5
  • Web Design Articles

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Are These the Most Interesting Front-end Developer Tools for 2021?

When I come to the end of any given year, it’s always interesting to look back through the click-through stats for my weekly newsletter Web Tools Weekly to see which tools got the most attention.

This year wasn’t all that different from previous years. I’ve learned that clicks happen for basically one of two reasons:

The post Are These the Most Interesting Front-end Developer Tools for 2021? appeared first on Impressive Webs.



  • Roundups and Resources

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SIGMAP: an explainable artificial intelligence tool for SIGMA-1 receptor affinity Prediction

RSC Med. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4MD00722K, Research Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Maria Cristina Lomuscio, Nicola Corriero, Vittoria Nanna, Antonio Piccinno, Michele Saviano, Rosa Lanzilotti, Carmen Abate, Domenico Alberga, Giuseppe Felice Mangiatordi
Developing sigma-1 receptor (S1R) modulators is considered a valuable therapeutic strategy to counteract neurodegeneration, cancer progression, and viral infections, including COVID-19. In this context, in-silico tools capable of accurately predicting...
The content of this RSS Feed (c) The Royal Society of Chemistry




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565: The Hurdy-Gurdy, OKLCH, Edge Dev Tools, and Ad Blocking

Dave doesn't hate the hurdy-gurdy, but it's creation is an interesting parallel to software development. OKLCH follow up, @media, Edge drops new dev tools, CSS and Astro theming, JavaScript devs discover PHP, how many people block ads, and accessibility and grids.




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ICAR team makes tool small enough to edit plant genomes

In a genome-editing landscape low on options for plants, the new tool has scientists enthused about its applications in agriculture




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Beyond Kicks / directed by: Gary Toole ; produced by: Michael McKennirey, George Pearson ; production agency: National Film Board of Canada (Montreal)

Montreal : National Film Board of Canada, 2021




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A tool to record history

Kishore Nagappa, the sculptor behind statues for the likes of Jawaharlal Nehru, Ambedkar, Sathyamurthi, Muthuramalinga Devar and the most recent one of Pennycuick




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C–H acylation as an enabling tool to tag phenolic drugs

Org. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QO01505C, Research Article
Open Access
Carlota Girón-Elola, Arkaitz Correa
A Pd-catalyzed directed C–H acylation of a collection of intricate phenol-containing compounds with ethanol and other alcohols and aldehydes is reported.
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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Abnormal enterohepatic circulation of bile acids caused by fructooligosaccharide supplementation along with a high-fat diet

Food Funct., 2024, Advance Article
DOI: 10.1039/D4FO03353A, Paper
Fang Zeng, Shi He, Ying Sun, Xue Li, Kaiyang Chen, Hongbin Wang, Shuli Man, Fuping Lu
Fructooligosaccharide (FOS) is a widely used prebiotic and health food ingredient, but few reports have focused on its risk to specific populations.
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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Century-old tools still in vogue for land survey



  • Money & Careers

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Type I and Type II Chemical Biology Toolbox to Overcome the Hypoxic Tumour Microenvironment for Photodynamic Therapy

Biomater. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4BM00319E, Review Article
Minzi Ju, Lu Yang, Guowei Wang, Feng Zong, Yu Shen, Shuangshuang Wu, Xuna Tang, Decai Yu
Photodynamic therapy (PDT) is a minimally invasive therapeutic modality employed for the treatment of various types of cancers, localized infections, and other diseases. Upon illumination, the photo-excited photosensitizer generates singlet...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Tools for Webmasters

With new technologies, algorithms and sources emerging on a daily basis, webmasters are constantly struggling to stay informed. The quality of content on the web and the number of products available to webmasters can seem overwhelming. The goal of creating a site that can be quickly found can be a struggle. Unless webmasters have a well-established brand, a great domain name and a huge marketing budget, it is important that they appear in search engines via specific keywords. With this in mind, we have compiled a list of resources and products that will benefit webmasters in their efforts to be found.
Article - Tools for Webmasters




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Tools for RSS

Using RSS tools, publishers and webmasters can increase productivity and efficiency. RSS monitoring can often automate many of the procedures that are time-consuming and monotonous, freeing up time.

Complete Article - Tools for RSS




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Podcast Tools

Podcasting is increasing in popularity and, realizing that many are interested in providing audio content in a podcast, we have assembled a collection of tools that make creation, promotion and listening to podcasts a little easier.

Complete Article - Podcast Tools




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Unusual RSS Tools

As the masses have adopted RSS as a more mainstream communication medium, Web 2.0 businesses and publishers have adopted unique and unusual tools to manipulate RSS content. Here are just some of the various RSS tools that are currently available...

Unusual RSS Tools





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Quarantine tools

Surviving Self-Distancing-Day 3




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Meet the Janelia chemist crafting glowing molecular tools for neuroscientists

Luke Lavis’s lab teaches old dyes new tricks at the HHMI campus




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Nucleotide construction gets new chiral tool

Reagent developed through Scripps and BMS collaboration couples nucleosides with potential applications in antisense therapeutics