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Effective patchiness from critical points of a coarse-grained protein model with explicit shape and charge anisotropy

Soft Matter, 2024, 20,8455-8467
DOI: 10.1039/D4SM00867G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jens Weimar, Frank Hirschmann, Martin Oettel
Critical points of an anisotropic, coarse-grained protein model are used to detemine an “effective patchiness” by comparison to the Kern–Frenkel patchy model.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Modeling nematic phase main-chain liquid crystal elastomer synthesis, mechanics, and thermal actuation via coarse-grained molecular dynamics

Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00528G, Paper
Nicolas Herard, Raja Annapooranan, Todd Henry, Martin Kroger, Shengqiang Cai, Nicholas Boechler, Yelena Sliozberg
This paper presents a coarse-grained molecular dynamics simulation study of the synthesis, mechanics, and thermal actuation of nematic phase main-chain liquid crystal elastomers (LCEs), a type of soft, temperature-responsive, polymeric...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Coupled dynamics in binary mixtures of model colloidal Yukawa systems

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM01123F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Daniel Weidig, Joachim Wagner
Self- and collective dynamics in mixtures of highly charged binary colloidal particles is analyzed by Brownian dynamics simulations. For equally charged, but differently sized particles coupling effects in their long-time dynamics are observed.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Towards a universal model for the foaming behavior of surfactants: a case study on per- and polyfluoroalkyl substances (PFAS)

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00931B, Paper
Muchu Zhou, Reza Foudazi
Foam fractionation offers a promising solution for the separation of surface-active contaminants from water.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Model predictive control of non-interacting active Brownian particles

Soft Matter, 2024, 20,8581-8588
DOI: 10.1039/D4SM00902A, Paper
Titus Quah, Kevin J. Modica, James B. Rawlings, Sho C. Takatori
Model predictive control is used to guide the spatiotemporal distribution of active Brownian particles by forecasting future states and optimizing control inputs to achieve tasks like dividing a population into two groups.
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Bending of polymer films: a method for obtaining a compressive modulus of thin films

Soft Matter, 2024, 20,8589-8600
DOI: 10.1039/D4SM00084F, Paper
Akihiro Ohara, Ko Okumura
We constructed a theory and method for measuring the compressive modulus by combining tensile and bending tests. Elastic asymmetry was confirmed in an industrial PET film.
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Co-assembly of Cellulose Nanocrystals and Gold Nanorods: Insights from Molecular Dynamics Modelling

Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00871E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jiaxin Hou, William W Sampson, Ahu Gumrah Dumanli
A coarse-grained molecular dynamics model is developed to explore the co-assembly of cellulose nanocrystals (CNCs) and gold nanorods (AuNRs) under sedimentation conditions with varying vol- umetric concentration and particle-size ratios....
The content of this RSS Feed (c) The Royal Society of Chemistry




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Coarsening dynamics of aster defects in a model polar active matter

Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00788C, Paper
Soumyadeep Mondal, Pankaj Popli, Sumantra Sarkar
We numerically study the dynamics of topological defects in 2D polar active matter coupled to a conserved density field, which shows anomalous kinetics and defect distribution. The initial many- defect...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Scale-dependent sharpening of interfacial fluctuations in shape-based models of dense cellular sheets

Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00804A, Paper
Haicen Yue, Charles Packard, Daniel Sussman
The properties of tissue interfaces – between separate populations of cells, or between a group of cells and its environment – has attracted intense theoretical, computational, and experimental study. Recent...
The content of this RSS Feed (c) The Royal Society of Chemistry




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A generalized model for predicting different morphologies of bacterial swarming on a porous solid surface

Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM01072H, Paper
Uttam Kumar, Pushpavanam Subramaniam
In this study, we develop a comprehensive two-phase model to analyze the dynamics of bacterial swarming on porous substrates. The two distinct phases under consideration are the cell and aqueous...
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A Modern Typographic Scale

Rob Weychert reaches for the top notes to sing us a song of typographic scale. A little attention to scale and to the mathematics will help you to hit a high note with your designs this Christmas and beyond.


I’ve been studying music theory this year. While some of its core concepts were already familiar to me, much of their specifics were not. Or so I thought. A funny thing happened when I was learning the major scales.

While playing through a song I had written some years before, I started picking it apart to see how it correlated with the theory I was learning. I had composed the melody without any thought to what the specific notes were, but as I started to transcribe them, a pattern quickly emerged: all the B’s and E’s were flat and the rest of the notes were natural. Lo and behold, long before my music theory studies began, I had written a song in B♭ major. My ears already knew how the major scales worked even if my brain didn’t. (If you know how “do re mi fa so la ti do” is supposed to sound tonally, then your ears know, too.)

When music is composed to a scale, it sounds “right” to us. And just as our ears appreciate harmony and melody with a rational basis, our eyes can appreciate the same concepts applied to spatial relationships.

Have you ever struggled with sizing type in a design project, especially when you need more than just one or two sizes? Have you ever despaired at the number of ad-hoc type sizes on your site spiraling out of control over time? It could be that you’ve been composing the typographic equivalent of a cacophonous symphony. And the first thing any composer will tell you to do is to get that thing on a scale.

Meet the typographic scale

You don’t need to know music theory to work with a typographic scale. You only need to know that a scale is a range of values with an established mathematic relationship. For a typographic scale, that relationship is frequently a steady interval between type sizes. Depending on what you need your type to do, the interval might be fixed (e.g. each size is two pixels bigger than the size before it) or it might be proportional (e.g. each size is twice as big as the size before it). I personally rarely find fixed intervals useful, so I’ll be focusing on proportional intervals.

The most important thing to understand about proportional intervals is thankfully not complicated: The bigger the intervals are, the more drastic the size differences will be in your scale. If your layout calls for contrast, a bigger interval might be the way to go. If you’re aiming for something more nuanced, go smaller. But keep these things in mind:

  • There is such a thing as too much nuance: if a size on your scale is virtually indistinguishable from the sizes adjacent to it, it defeats the purpose of using a scale.
  • On the flip side, too much contrast renders the sizes’ proportional relationship moot. At a certain point, massive display type is arguably more graphic than textual.
  • More is less. The more sizes you use, the less they’ll mean.
A small interval (left, 1.1) offers a smoother range of sizes; a large interval (right, 1.8) offers more contrast.

Setting up the scale variables

The quickest way to get a scale up and running when working on the web is to drop its values into some CSS variables. The naming convention I typically use begins with --scale0, which is the body text size. The size below it is --scale-1 (as in “scale minus one”), the size above it is --scale1, and so on. Keeping the names relative to each other like this helps me move around the scale intuitively as I use it. If, say, --scale4 isn’t big enough for my h1, I can move up to --scale5 or --scale6, and I always know exactly how many steps away from the body text I am. Here’s a first pass at a simple set of scale variables using an interval of 1.5:

:root {
  --scale-2: 7.1px;  /* 10.7 ÷ 1.5 */
  --scale-1: 10.7px; /* 16 ÷ 1.5   */
  --scale0: 16px;    /* body text  */
  --scale1: 24px;    /* 16 × 1.5   */
  --scale2: 36px;    /* 24 × 1.5   */
}

I can use these variables with any CSS property that accepts a numeric value, like so:

p { font-size: var(--scale0); }

Rooting around in rems

I’m off to a good start. However, those px values are a little too absolute for my liking. If I convert them to rems, it’ll give my scale more flexibility. rem stands for “root em.” 1rem is equivalent to the html element’s text size, which in most browsers defaults to 16px. Crucially, though, users can adjust that size in their browser settings, and using rems in my CSS will respect those preferences.

:root {
  --scale-2: 0.4rem;  /* 0.7rem ÷ 1.5 */
  --scale-1: 0.7rem;  /* 1rem ÷ 1.5   */
  --scale0: 1rem;     /* body text    */
  --scale1: 1.5rem;   /* 1rem × 1.5   */
  --scale2: 2.25rem;  /* 1.5rem × 1.5 */
}

Another benefit of the relative nature of rems: I tend to use larger text sizes on large viewports and smaller text sizes on small viewports. Rather than adjusting dozens or hundreds of typographic CSS declarations per breakpoint, I can shift the whole scale up or down merely by adjusting the font-size on the html element:

html { font-size: 100%; }     /* 1rem = 16px */

@media screen and (min-width: 25em) {
  html { font-size: 112.5%; } /* 1rem = 18px */
}

Calculating with calc()

My scale is coming along. Its variables’ intuitive names make it easy for me to use, and its rem values respect the user’s browser preferences and allow me to easily shift the size of the entire scale at different viewport sizes. But my setup still isn’t optimized for one very important adjustment: the interval, which is currently 1.5. If 1.5 isn’t quite working for me and I want to see how an increase or decrease will affect the scale, I need to do the math all over again for every step in the scale every time I adjust the interval. The bigger the scale, the more time that will take. It’s time to put down the abacus and get calc() involved.

:root {
  --int: 1.5;
  --scale0: 1rem;
  --scale-1: calc(var(--scale0) / var(--int));
  --scale-2: calc(var(--scale-1) / var(--int));
  --scale1: calc(var(--scale0) * var(--int));
  --scale2: calc(var(--scale1) * var(--int));
}

My interval now has its very own variable, called --int. calc() determines each scale size by multiplying the preceding size by --int. Now that every size is ultimately dependent on --scale0’s value, --scale0 must appear first in the list. Since the sizes smaller than --scale0 are going down rather than up, their values require division rather than multiplication.

Scaling the scale

I can now quickly and easily tweak my scale’s interval by adjusting --int until the proportions are just right, but if I want to add more sizes to the scale, I need to add more variables and calc() values. This isn’t too big of a deal, but if I want to double or triple the number of sizes, it’s kind of a headache. Luckily, this is the sort of thing Sass is really good at. In the following code, adjusting the first four Sass variables at the top of :root will quickly spin up a set of CSS variables like the scale above, with any interval (proportional or fixed) and any number of scale sizes:

:root {
  $interval: 1.5;    // Unitless for proportional, unit for fixed
  $body-text: 1rem;  // Must have a unit
  $scale-min: -2;    // Unitless negative integer
  $scale-max: 2;     // Unitless positive integer

  --int: #{$interval};
  --scale0: #{$body-text};

  @if $scale-min < 0 {
  // Generate scale variables smaller than the base text size
    @for $i from -1 through $scale-min {
      @if type-of($interval) == number {
        @if unitless($interval) {
          --scale#{$i}: calc(var(--scale#{$i + 1}) / var(--int));
        } @else {
          --scale#{$i}: calc(var(--scale#{$i + 1}) - var(--int));
        }
      }
    }
  }
  @if $scale-max > 0 {
    // Generate scale variables larger than the base text size
    @for $i from 1 through $scale-max {
      @if type-of($interval) == number {
        @if unitless($interval) {
          --scale#{$i}: calc(var(--scale#{$i - 1}) * var(--int));
        } @else {
          --scale#{$i}: calc(var(--scale#{$i - 1}) + var(--int));
        }
      }
    }
  }
}

Go forth and scale

Typographic scales have been an indispensable part of my work for many years, and CSS variables and calc() make setup, adjustments, and experimentation easier than ever. I hope you find these techniques as useful as I do!


About the author

Rob Weychert is a Brooklyn-based designer. He helps shape the reading experience at ProPublica and has previously helped make books at A Book Apart, games at Harmonix, and websites at Happy Cog. In his free time, he obsesses over music and film. Despite all this, he is probably best known as a competitive air guitarist.

More articles by Rob




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Maa, Behen and Modi!




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JC Flowers ARC seeks bids to sell ₹2,613 crore of bad loans via Swiss challenge mode

The NPAs on block were part of YES Bank’s legacy bad loan portfolio.



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At Home : A Model Person / directed by: Lynne Stopkewich ; produced by: Yves J. Ma, Tracey Friesen ; production agency: National Film Board of Canada (Montreal)

Montreal : National Film Board of Canada, 2012




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A Nobel in hand, but where AJR’s model falls short

The AJR Eurocentric framework falls short of representing the Global South, oversimplifies history and ignores diverse development paths




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Bernoulli's fallacy [electronic resource] : statistical illogic and the crisis of modern science / Aubrey Clayton.

New York : Columbia University Press, [2021]




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A beginner's guide to structural equation modeling / Randall E. Schumacker and Richard G. Lomax.

New York, NY : Routledge, 2016.




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Postmodern analysis [electronic resource] / Jürgen Jost

Berlin : Springer, [2005]




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Probability and partial differential equations in modern applied mathematics [electronic resource] / Edward C. Waymire, Jinqiao Duan, editors

New York : Springer, [2005]




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Applied structural equation modeling using AMOS [electronic resource]: basic to advanced techniques / Joel E. Collie

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Structural equation modeling with AMOS [electronic resource] : basic concepts, applications, and programming / Barbara M. Byrne

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Perverse sheaves and applications to representation theory / Pramod N. Achar.

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Gamma functions and Gauss sums for function fields and periods of Drinfeld modules [electronic resource] / by Dinesh Shraddhanand Thakur

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Lewis acid-controlled Pd-catalyzed chemodivergent hydrocyanation of cyclopropenes

Org. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QO01609B, Research Article
Rongrong Yu, Song-Zhou Cai, Xianjie Fang
We report a Lewis acid-controlled Pd-catalyzed chemodivergent hydrocyanation of cyclopropenes. In the absence of Al Lewis acid, the reaction predominantly yields ring-opened allylic nitrile products while the addition of Lewis acid favors the formation of cyano-substituted cyclopropane products.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Visible-light mediated selective phosphonylation modification of tryptophan residues in oligopeptides

Org. Chem. Front., 2024, 11,6287-6292
DOI: 10.1039/D4QO01028K, Research Article
Wenfang Xiong, Junye He, Jinyao Liu, Peiru Chen, Shiqi Xu, Yipeng Liu, Shiting Chen, Yuanyuan You, Zhenyu Chen, Jinwu Zhao
A direct C2-H phosphonylation strategy driven by visible light for specific modification of tryptophan-containing peptides has been reported, providing a plethora of phosphorylated tryptophan-containing peptides
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Modular dehydrogenative cross-nucleophile coupling for direct construction of tetrasubstituted carbons

Org. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QO01641F, Research Article
Peng Wang, Qiang Wang, Meng Wang, Liang Wang, Lubin Xu, Xiong-Li Liu, Fangzhi Hu, Shuai-Shuai Li
An FeCl3-catalyzed cross-dehydrogenative coupling reaction for the construction of various types of C–Y (Y = C, N, O, S) bonds with air as a green oxidant.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Modi’s parivar stands for division of people and Gandhi parivar works for country’s unity: Telangana CM Revanth

Referring to the lack of minority representation in his Cabinet, the Chief Minister attributed it to the absence of a Muslim MLA in Telangana




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Sanskrit for the modern times

Dr. S. Ramaratnam explains the relevance of the language




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Ab initio study of electronic, elastic, thermodynamic, photocatalytic properties of double antiperovskite, Cs6AgBiX2 (X = Cl, Br, I)

RSC Adv., 2024, 14,35348-35359
DOI: 10.1039/D4RA05661B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Laraib Sajid, M. Usman Saeed, S. H. Mashadi, S. Sheryar Abid, Shamiala Pervaiz, Zeeshan Ali, Yousef Mohammed Alanazi, Aziz-Ur-Rahim Bacha, Y. Saeed
We use DFT to study the structural, electronic, optical, photocatalytic, mechanical, vibrational, and thermodynamical behaviors of new double antiperovskite Cs6AgBiX2 (X = Cl, Br, I).
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Multimodal integrated flexible neural probe for in situ monitoring of EEG and lactic acid

RSC Adv., 2024, 14,35520-35528
DOI: 10.1039/D4RA06336H, Paper
Open Access
Luxi Zhang, Jie Xia, Boyu Li, Zhen Cao, Shurong Dong
In physiological activities, the brain's electroencephalogram (EEG) signal and chemical concentration change are crucial for diagnosing and treating neurological disorders.
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Complexes between 2,2'-azobis(2-methylpropionamidine) dihydrochloride (AAPH) and cucurbit[n]uril hosts modulate the yield and fate of photolytically-generated AAPH radicals

RSC Adv., 2024, 14,35980-35991
DOI: 10.1039/D4RA07150F, Paper
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Angie C. Forero-Girón, Mauricio Oyarzún, Kevin Droguett, Denis Fuentealba, Soledad Gutiérrez-Oliva, Barbara Herrera, Alejandro Toro-Labbé, Eduardo Fuentes-Lemus, Michael J. Davies, Camilo López-Alarcón, Margarita E. Aliaga
AAPH-cucurbit[n]uril systems were experimentally and theoretically studied. Radical yields formed upon photolysis of AAPH were altered by complexation with CB[8] in a stoichiometry-dependent manner, however, radical yields were not changed by CB[6].
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Improving the catalytic performance of Co/BaCeO3 catalyst for ammonia synthesis by Y-modification of the perovskite-type support

RSC Adv., 2024, 14,36281-36294
DOI: 10.1039/D4RA06251E, Paper
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Magdalena Zybert, Hubert Ronduda, Wojciech Patkowski, Andrzej Ostrowski, Kamil Sobczak, Wioletta Raróg-Pilecka
The beneficial effect of Y3+ ions incorporated into BaCeO3 support structure stems from the strengthening of the electron-donating ability, i.e., better charge transfer from the support to the active metal, enhancing N2 dissociation.
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PM Modi to release 109 climate resilient crop seeds developed by ICAR, says Shivraj Singh Chouhan

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ARL Fall Forum on Reinventing Science Librarianship: Models for the Future

Full Schedule
Proceedings

Best quote: Librarians are like Mr. Paperclip from MS Office - we pop up when you least expect it and try to offer to you help...

This conference focused on the science library's role in supporting e-science and integrating into research collaborations and science departments. There was a mixture of speakers: government, library and institute directors, and a few librarians. The presentations were a mixture of big picture descriptions and some concrete examples. I felt like there wasn't as much hard solutions that we could take back to the library and implement, but perhaps just educating the library community on how radically different e-science is changing the research landscape is the necessary first step.

I've included the highlights from my session notes below (let me know if you'd like the see my full notes in gory detail). Check out the proceedings link above for powerpoint and document files for most of the speakers.

As a side note, our poster about GatorScholar was well-received with many people already aware of the project from either Val's USAIN presentations, the SLA poster, or from hearing about Cornell's project. Medha Devare was one of the panel reactors and she mentioned our collaboration in her presentation. Most of the poster visitors seemed very interested in starting their own version and perhaps at some point we'll have a network of databases.

Thursday

E-Science: Trends, Transformations & Responses

Convener and Moderator: Wendy Lougee, University of Minnesota
Speaker: Chris Greer, Director, National Coordination Office

NCO part of Office of Science and Tech Policy, coordinates all major science orgs

E-Science defined as digital data driven, distributed and collaborative - allows global interaction.

Science pushed to be trans-disciplinary - scientists pushed to areas where they have no formal training - continual learning important;

It fuses the pillars of science: experiment, theory, model/simulation, observation & correlation

Come a long way: ARPANET -> internet, redefinition of the computer (ENIAC to cloud computing)

Question: how many libraries do we need? Greer thinks this will change over time.

Future library: Imagine all text in your pocket, question answered at speed of light (semantic web concept), wearing contact lens merge physical and digital worlds -> in the long run we'll have the seamless merging of worlds

Science is global and thrives in a world that is not limited to 4-D. Cyberinfrastructure reduces time and distance. Need computational capacity and connectivity with information.

The challenge for society: responsibility to preserve data.

Reinventing the library:
Challenges: institutional commitment, sustainable funding model, defining the library user community (collection access is global so who is the user?), legal and policy frameworks, library workforce, library as computational center, sustainable technology framework.

We've come a long way but we're at the beginning of a dramatic change.

2. A Case Study in E-Science: Building Ecological Informatics Solutions for Multi-Decadal Research

William Michener, Research Professor (Biology) and Associate Director, Long-Term Ecological Research Network Office, University of New Mexico

Data and information challenges:
data are massively dispersed and lost sometimes
data integration - scientists use different formats and models. Lots of work to integrate even simple datasets
problem of information and storage


LTER has a lot of data archives that are very narrow in scope of data stored. Also has a lot of tools. Working on adoption of tools - predict an exponential increase with time.

Future: science will drive what they do. Look at critical areas in the earth system. Understanding changes in world involve a pyramid in data collection scale (remote sensing to sampling)

Technology directions; Cyberinfrastrcture is enabling the science, consider whole-data-life-cycle, domain agnostic solutions (since budgets are bad, solutions have to be universal across all the sciences)

We need
Cyberinfrastructure that enables: data needs to be able to pull in from different sources, easy integration, tools that allow visualization

Support for the data lifecycle - need to work on metadata interoperability across data holdings.


Sociocultural Directions:
education and training: science now is lifelong learning
engaging citizens in science: have websites to education public,
building global communities of practice: develop CI as a collaborative team
expand globally in future, expand with academic, govt, NGO's and companies

Challenges:
Broad active community engagement: need educators to teach students in best practices
transparent governance
adoption of sustainable business models

3. Rick Luce, Vice Provost and Director of University Libraries, Emory University Libraries

"Making a Quantum Leap to eResearch Support: a new world of opportunities and challenges for research libraries"


Where do we need to go: intelligent grid presence, collaboration support, social software, evaluation and research integrity (plus lots of other areas mentioned)

Dataset & repositories: need to have context of data, curation centers, users want mouse-click solutions and will come up with their own solutions if we don't.

PI's taking more responsibility on projects becoming publishers and curators. Librarians need to take on role of middleware

Researchers want:
information collaboration tools: shared reading, virtual worksapces and whiteboards, webspaces support wikis, data sets, preprints, videos of conference presentations, news

Need information visualization: browse information using maps of concepts, collaboration and citation networks, coauthorship networks, taxonomies, scatter plots of data, knowledge domain visualization

Where do we need to be: systems to facilitate shared ideas, presence, and creation

Individual libraries can't do this - we need collaborations

Challenges: connect newly forming disciplines and newly emerging fields

Libraries work a lot on support layer but we need to get in the workflow layer where we're connected with scientists and coordinate on a multi-institutional structure

Need new organizational structures: hybrid organizations: subject specialists - : intra-disciplinary teams. The future library office -> lives in project space/virtual lab

Need informaticians and informationists (embedded librarians)

What percent of our research library content and services are unique? What % of our budget resource ssupport uniqueness? We need to do something others cannot do or do something well that others do poorly.

Library cooperatives are useful for reducing redundancy. Next phase shift requires an expanded mission of shared purpose.

We fall short on scale, speed, agiliity, and resource, focus. Collective problems require collection action, which requires a shared vision - think cloud computing for libraries

We must do more than aggregate and provide access to shared information: Our job now is to wire people's brains together so that sharing, reasoning, and collaboration become part of everyday work.

Wendy Lougee

Pitfalls: not to fall back on traditional roles, currently we don't respond to multi-institutional collaborations, our boundaries stop with the institution

We need to understand scientists' workflows, need to identify strategies for embedding librarians into project teams. We need to think about core expertise of librarians, reimaging roles of librarians

What do we do to build this collaborative action? We need to think outside the box.

Data Curation: Issues and Challenges

Convener and Moderator: James Mullins, Dean of Libraries, Purdue University

  • Liz Lyon, Director, UKOLN

Transition or Transform? Repositiioning the Library for the Petabyte Era

How can libraries work with science (in a very general sense)?

1. Transition or Transform? Need to become embedded and integrated into team science. Many different models of engagement

Geosciences pilot where the library worked with the Geological department to curate their datasets (Edinborough):
Found: Time needed is longer than anticipated, inventory doesn't have to be comprehensive, little documentation exists
Outcomes: positive, requirement for researcher and auditor training, need to develop a data policy

2. Lots of opportunities of action: leadership by senior managers, faculty coordination, advocacy & tranining, data documentation best practices

People and Skills: there are not enough specialised data librarians. In UK 5 data librarians. Need to bring diverse communities together - facilitate cooperation between organizations and individuals.

Open science: new range of areas where results are being put onto the web (GalaxyZoo eg.) Librarians need to be aware of implications.

3. Need multidisciplinary teams and people in library, huge skill shortage, need to find core data skills and integrate it into the LIS curriculum. Recruit different people to the LIS team, rebrand the LIS career. Go from librarianship to Informatics.


  • Fran Berman, Director of the San Diego Supercomputer Center, UC San Diego, and Co-chair Blue Ribbon Task Force on Sustainable Digital Preservation and Access
"Research and Data"

Researchers are detectives, shows different major questions (SAF, Brown Dwarfs, bridge stress, Income dynamics over 40 years, Disease spread-Protein Data Bank) - key collections all over.

CI Support: all these issues are crucial. researchers want a easy to use set of tools to make the most of their data.

She finds different preservation profiles: timescale, datascale, well-tended to poor, level of policy restrictions, planned vs. ad hoc approach

Researchers focused on new projects, customization of solutions to problems, collaboration

Researchers need help: developing management, preservation and use environments, proper curation and annotation, navigating policy, regulation, IP, sustainability

Questions about preservation: what should we save and who should pay for it? Just saving everything isn't an option. 2007 was the crossover year - digital data exceeded the amount of available storage. What do we want to save? Who is we?
Society: official and historically valuable data, Fed agency or inst normally takes part.
Research community: PDB, NVO.
Me: medical record, financial data, digital photos - real commercial market for preservation solutions.

What do we have to save?
private sector: HIPAA, Sarbanes-Oxley,
OMB regulations for fed funded research data (3 years, not always easy to do).

Economics: many costs associated with preservation. Maintenance upkeep, software, utilities, space, networking, security, etc.

UCSD forged partnership with library. Trying to create a preservation grid with formal policies, nationwide grid with other institutions.

Panel Responders:
  • Sayeed Choudhury, Associate Dean of University Libraries and Hodson Director of the Digital Research and Curation Center, Johns Hopkins University

Data Curation Issues and Challenges:

It makes sense to help scientists deal with public and higher levels of data, not the raw data.

Considerations: need to work within their systems, consider gateways for systems as part of infrastructure development (think about railroad gauge), focus on both human and tech components of infrastructure, human interoperability is more difficult than tech interoperability, trust is key!

Questions: What about the cloud or the crowd? Can Flickr help us with data curation? What are the fundamental differences between data and collections? Human readable vs. machine readable? How do we transfer principles into new practices? What are we trying to sustain? Data? Scholarship? Our organizations?


Supporting Virtual Orgs

  • Thomas A. Finholt, Director, Collaboratory for Research on Electronic Work (CREW) and Research Professor & Associate Dean for Research and Innovation, School of Information, University of Michigan

Changing nature of geographically-distributed collaboration:

history: transition in terms of distributed work. Much of what came before (collaboratory, video conf) had a precedent but new emerging has no precedent (crowdsourcing, VO's), no traditional context leaves us a bit adrift.

Lesson 1: anticipate cultural differences.
Domain scientists: characteristics: power distance (bias toward seniority, hierarchical), individualist(solo PI, individual genius), masculine(adversial and competitive), uncertainty avoidance
CI developers: power distance (bias toward talent, egalitarian), collectivist(project model), masculine, embrace risk

Lesson 2: plan for first contact.

It can be tough to recognize successful innovations: first efforts are often awkward hybrids



Crowdsourcing: idea that we send out challenges and solutions come to us (ex. Innocentive website, Games with a Purpose). We don't know who is going to do the work, effort is contributed voluntarily -> incentives are important to motivate work

Delegation of organizational work: people can count on organizations to do some of the basic policy work. Much attention has focused on technology and processes to support social ties, alternative course is the use of technology to supplant social ties - > think of this as organizing without the work of organizing, questions of who to trust, who pays, permitted to use the resources are managed by middleware.

Group work is an inevitable fact of org life.

  • Medha Devare, Life Sciences and Bioinformatics Librarian, Mann Library, Cornell University
Idea of Virtual Organization: boundary crossing, pooling of competencies, participants or activities geographically separated, fluid, flat structure, participant equality

Library contributions: technology choices, tools; tech support/guidance; subject expertise; understanding of research landscape; vision - user needs of the future?

Examples of library support: VIVO, DataStar (supports data-sharing among researchers)

DataStar: Data Staging Repository: supports data sharing, esp during research process, promotes publishing or archiving to discipline specific data centers and/or to Cornell's DR. Nascent stage

Reinventing the library? Librarians as middle-ware to facilitate process of connecting and creating coherence across disciplines - both VIVO and DataStar aid this.

Hope that both tools seamlessly interact with each other.


D. Scott Brandt, Associate Dean for Research, Purdue University Library

Tries to embed librarians in research teams. We have to redefine what we do, collect.




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Stay calm, sleep well: PM Modi tells Paris-bound athletes; asks for mom-made ‘churma’ from Neeraj

The upcoming Games will be held from July 26 to August 11 and India would be hoping to better its best ever tally of seven medals, including Chopra's historic javelin throw gold, achieved in the Tokyo Games.




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The Different (and Modern) Ways to Toggle Content

Let’s spend some time looking at disclosures, the Dialog API, the Popover API, and more. We’ll look at the right time to use each one depending on your needs. Modal or non-modal? JavaScript or pure HTML/CSS? Not sure? Don’t worry, we’ll go into all that.


The Different (and Modern) Ways to Toggle Content originally published on CSS-Tricks, which is part of the DigitalOcean family. You should get the newsletter.




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PM Narendra Modi to meet Spanish PM Pedro Sanchez in Vadodara to boost bilateral ties

Bilateral trade between India and Spain has increased from $6.77 billion in 2021-22 to $7.24 billion in 2023-24




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Narendra Modi congratulates Donald Trump on US election victory, says looking forward to renewing collaboration

‘Let’s work for the betterment of our people and to promote global peace, stability and prosperity,’ Modi says in a post on X




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Trump victory gives Modi chance to reset India’s image with the West

Analysts and officials believe that the US under Trump will continue a years-long effort to cultivate India as a strategic partner against a more assertive Beijing, an effort that has won India big new investments from US companies like Apple Inc




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AI Ethical Framework: AI Model Questions

When people evaluate services, they often consider factors like cost, features, reliability, and performance. For AI, we want to extend those factors by asking questions about how the AI model is built and its impact.




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The role of gold in diversified commodity portfolios 

It serves multiple purposes as it acts as a hedge against inflation and provides stability during economic downturns



  • Gold &amp; Silver

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Recent advances in discrete Cu complexes for enhanced chemodynamic therapy

Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02380C, Frontier
Zhao-Guo Hong, Liangliang Zhang, Hong Liang, Fu-Ping Huang
Since the concept of metal ion stimulation-mediated chemodynamic therapy was proposed by Bu and Shi 's group in 2016, increasing attention has been directed toward fabricate efficient, safe and stable...
The content of this RSS Feed (c) The Royal Society of Chemistry




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LDH-derived Co0.5Ni0.5Te2 Dispersed in 3D Carbon Sheets as Separator Modifier to Enable Kinetics-Accelerated Lithium-Sulfur Batteries

Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02619E, Paper
Chunmei Li, kan Mi, Kai Xu, Zhuo Jia, Xiaolei Jiang, Huili Peng, Xiuwen Zheng, Hongjiao Nie
Lithium-sulfur battery is considered as a powerful candidate for the next generation of advanced energy storage systems relying on its high energy density and theoretical specific capacity. However, its practical...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Direct O2 mediated oxidation of a Ni(II)N3O structural model complex for the active site of nickel acireductone dioxygenase (Ni-ARD): characterization, biomimetic reactivity, and enzymatic implications

Dalton Trans., 2024, 53,17852-17863
DOI: 10.1039/D4DT02538E, Paper
Kelsey E. Kirsch, Mary E. Little, Thomas R. Cundari, Emily El-Shaer, Georgia Barone, Vincent M. Lynch, Santiago A. Toledo
A structural and functional biomimetic Ni(II)N3O complex, capable of O2 mediated dioxygenase like C–C bond cleavage, via a putative high-valent Ni intermediate.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Three organic–inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes: synthesis, characterization, and catalytic studies for oxidation of styrene

Dalton Trans., 2024, 53,17880-17892
DOI: 10.1039/D4DT02544J, Paper
Zhi-Cheng Duan, Guanghua Li, Ke-Chang Li, Xiao-Bing Cui
Three novel organic–inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes were synthesized under hydrothermal conditions. Additionally, the catalytic efficacy of these compounds in the oxidation of styrene was investigated.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Structure modification and luminescence regulation in new violet light excitable Sr(2−y)BayY4La4(SiO4)6O2:xEu2+ phosphors via cation substitution

Dalton Trans., 2024, 53,17989-18002
DOI: 10.1039/D4DT02195A, Paper
Jie Zhang, Langping Dong, Feng Wang, Jingshan Hou, Yongzheng Fang
A series of violet light excitable Sr(2−y)BayY4La4(SiO4)6O2:xEu2+ phosphors with tunable luminescence for high-quality white LEDs was developed through cation regulation.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Modular synthesis of triphenylphosphine-derived cage ligands for rhodium-catalyzed hydroformylation applications

Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02627F, Paper
Wenlong Wang, Cunyao Li, Wenhao Wang, Yuqin Qiu, Hongguang Liu, Jinlong Lu, Yizhou Zhan, Li Yan, Yunjie Ding
Cage ligands can be easily synthesized via dynamic imine chemistry, and a specific cage ligand exhibits excellent performance in Rh-catalyzed hydroformylation reaction (TOF up to 2665 h−1 and the l/b ratio reaches 2.6).
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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Mode of transport

Bus lovers love their comfort zones, while those taking the train are more daring




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Modelling the thermoelectric effect

Register now: 28 February 2018
A webinar sponsored by COMSOL




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Model rocketry workshop launched to inspire young innovators in Bengaluru

The workshop is aimed at promoting innovation and technical expertise