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Model-independent extraction of the shapes and Fourier transforms from patterns of partially overlapped peaks with extended tails

This work presents a technique for extracting the detailed shape of peaks with extended, overlapping tails in an X-ray powder diffraction pattern. The application discussed here concerns crystallite size broadening, though the technique can be applied to spectra of any origin and without regard to how the profiles are to be subsequently analyzed. Historically, the extraction of profile shapes has been difficult due to the complexity of determining the background under the peak, resulting in an offset of the low-frequency components of the Fourier transform of the peak known as the `hook' problem. The use of a carefully considered statistical weighting function in a non-linear least-squares fit, followed by summing the residuals from such a fit with the fit itself, allows one to extract the full shape of an isolated peak, without contributions from either the background or adjacent peaks. The extracted shape, consisting of the fit function recombined with the residuals, is not dependent on any specific shape model. The application of this to analysis of microstructure is performed independently of global parametric models, which would reduce the number of refined parameters; therefore the technique requires high-quality data to produce results of interest. The effectiveness of the technique is demonstrated by extraction of Fourier transforms of peaks from two sets of size-broadened materials with two differing pieces of equipment.




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Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetra­fluoro-1,4-di­iodo­benzene

A new polymorph (form II) is reported for the 1:1 dimethyl sulfoxide solvate of 2,3,5,6-tetra­fluoro-1,4-di­iodo­benzene (TFDIB·DMSO or C6F4I2·C2H6SO). The structure is similar to that of a previously reported polymorph (form I) [Britton (2003). Acta Cryst. E59, o1332–o1333], containing layers of TFDIB mol­ecules with DMSO mol­ecules between, accepting I⋯O halogen bonds from two TFDIB mol­ecules. Re-examination of form I over the temperature range 300–120 K shows that it undergoes a phase transformation around 220 K, where the DMSO mol­ecules undergo re-orientation and become ordered. The unit cell expands by ca 0.5 Å along the c axis and contracts by ca 1.0 Å along the a axis, and the space-group symmetry is reduced from Pnma to P212121. Refinement of form I against data collected at 220 K captures the (average) structure of the crystal prior to the phase transformation, with the DMSO mol­ecules showing four distinct disorder com­ponents, corresponding to an overlay of the 297 and 120 K structures. Assessment of the inter­molecular inter­action energies using the PIXEL method indicates that the various orientations of the DMSO mol­ecules have very similar total inter­action energies with the molecules of the TFDIB framework. The phase transformation is driven by inter­actions between DMSO mol­ecules, whereby re-orientation at lower temperature yields significantly closer and more stabilizing inter­actions between neighbouring DMSO mol­ecules, which lock in an ordered arrangement along the shortened a axis.




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Health Care Reform and Increased Patient Needs Require Transformation of Nursing Profession

Nurses roles, responsibilities, and education should change significantly to meet the increased demand for care that will be created by health care reform and to advance improvements in Americas increasingly complex health system, says a new report from the Institute of Medicine.




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IOM Report Calls for Cultural Transformation of Attitudes Toward Pain and Its Prevention and Management

Every year, approximately 100 million* adult Americans experience chronic pain, a condition that costs the nation between $560 billion and $635 billion annually, says a new report from the Institute of Medicine.




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Transformation of Health System Needed to Improve Care and Reduce Costs

Americas health care system has become too complex and costly to continue business as usual, says a new report from the Institute of Medicine




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A Research Agenda for Transforming Separation Science

Chemical separations — which are used to divide chemical mixtures into their distinct elements — are critical in providing many of the foods and services needed to maintain our quality of life.




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The Next Decade of Nursing - NAM Town Halls Explore How New Roles, New Tech, and Social Needs Are Transforming the Field

You can find a nurse navigating city streets, on her way to a home visit. Or, maybe he is recording educational videos on preventing ear infections. She might even be running for city council.




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Patricia Gabow Receives Lienhard Award From National Academy of Medicine for Transforming Safety Net Hospital Into Nationally Recognized Health System

For her role in transforming a safety net hospital into a national model for high-quality, cost-efficient health care, the National Academy of Medicine today announced Patricia Gabow is the recipient of the 2019 Gustav O. Lienhard Award for Advancement of Health Care.




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Henry Huntington: A Railroad Tycoon Who Transformed Southern California

Henry E. Huntington in 1907.; Credit: Theo C. Marceau, New York City. The Huntington Library, Art Museum, and Botanical Gardens

Brianna Flores

One of the most prized treasures of LA County is 100 years old this year.

The Huntington Library is beloved for its lush botanical gardens and fine art.

As KPCC's Brianna Flores reports, you can trace its origins to a pivotal moment in Southern California history.

This content is from Southern California Public Radio. View the original story at SCPR.org.




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The National Science Foundation: Creating knowledge to transform our future

The National Science Foundation: Creating knowledge to transform our future




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The National Science Foundation: Creating knowledge to transform our future

The National Science Foundation: Creating knowledge to transform our future





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Digital transformation pace doubles with Covid-19: Tiger Tyagarajan, CEO, Genpact

Genpact sees over 100 clients closing their financial quarter digitally while others are doubling the pace of adoption of digital transformation.




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Transform collaboration with Cisco unified communications from BT

Cisco unified communications (UC) give your teams the freedom to be productive from anywhere, on any device. Available as one of our Cisco cloud services using Hosted Collaboration Solution (HCS) or as an on-premises solution, Cisco UC lets you access presence, instant messaging, voice, video, voice messaging, desktop sharing, and conferencing.




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How AI and ML is transforming the fintech landscape

We have already crossed the AI Rubicon, and the future lies in the symbiosis of machine and human intelligence.




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Businesses face digital ceiling in transformation progress: Infosys study

Digital marketing is a particularly strong capability for Indian companies, according to the new global study by Infosys Knowledge Institute.




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Tech trends which are transforming the fashion retail sector

India has tried its hands out in 4.0 technologies to pace up with the rapidly changing retail landscape. The use of AI, ML and data analytics has increased which are being used in functions like BOPIS, Click & Collect and Self-Kiosk.




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Covid-19 Heroes: How Bajaj Allianz Life Insurance transformed business to meet changing needs

Bajaj Allianz Life Insurance’s Chief Information & Digital Officer, Goutam Datta leveraged technology for enabling all business functions and meeting the digital demands of its employees, partners and customers amid lockdown and enabled new services to prevent any impact on business.




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Transformed nanoparticles in effluent can affect aquatic organisms

Silver nanoparticles present in the effluent from waste-water treatment plants could have toxic effects on aquatic organisms, new research suggests. The lab-based study tested the effects of nanoparticle-containing effluent on several crustacean and algae species. The researchers observed that epibenthic crustaceans (those living in or on sediments at the bottom of water bodies) were the most sensitive; notably, a 20–45% higher death rate was observed compared with those exposed to nanoparticle-free effluent.




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Geometric Transformation of Points – Getting Started

I like to think of geometric transformations of images (stretching, shrinking, rotating, etc.) by starting with the geometric transformations of points. You could think of a geometric point transformation as just moving a point from one location to another, like this:... read more >>




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​NTU scientists transform ultra-tough pollen into flexible material

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​NTU scientists transform hard pollen into soft, flexible material

​Scientists from NTU have transformed pollen, known as the diamond of the plant kingdom for its toughness, into a soft, flexible material that could serve as a 'building block' for a new category of eco-friendly materials....




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The case for transforming Californian gridlock into a green energy source

California's congested freeways could be a boon for large-scale piezoelectric power generation.




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Artist to transform defunct Ohio highway into pop-up forest

Artist Hunter Franks' idea to transform a defunct Akron highway into a leafy urban retreat is a winner in the 2017 Knight Cities Challenge.




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Tibetan monks transform butter into art

Tsepdro is a sacred art form in Tibet. It's traditionally made during Losar, the Tibetan New Year.



  • Arts & Culture

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Infamous nuclear disaster site transforms into unlikely refuge for animals

A new study finds the area around the former Fukushima power plant teeming with life.




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Cable across Pacific seafloor could transform tsunami warning system

Scientists, engineers and telecommunications officials are in the early planning stages for a seafloor fiber-optic cable that would span the Pacific Ocean, and



  • Wilderness & Resources

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Former salt mine transformed into spectacular underground theme park

Basketball, mini-golf, a Ferris wheel, an underground lake and a spa are just some of the attractions found in this majestic 13th-century Romanian salt mine.




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Students transform leaky bungalow into super-efficient off-campus roost

Who said old houses can't learn new energy-saving tricks?



  • Remodeling & Design

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Scientists transform sunlight into a liquid fuel that can be stored for 18 years

The breakthrough works like a rechargeable battery that is charged by sunlight.




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Sun-powered desalination device transforms seawater into clean drinking water

Santa Monica's iconic amusement pier is the site of this year's Land Art Generator Initiative. The Pipe is an offshore desalination concept that's making waves.



  • Research & Innovations

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How Icehearts is transforming lives of at-risk kids in Finland

This 12-year program in Finland inspires troubled kids to reach for their dreams.



  • Fitness & Well-Being

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Coolio transformed into breakdancing polar bear

Student filmmakers win Environment Agency film competition by casting Coolio as a water-wasting polar bear.




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Carbon dioxide could soon be transformed back into liquid fuel

What if we could turn our fuel emissions back into fuel?



  • Research & Innovations

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Thai teen transforms junk into diva-worthy fashion

This Instagram sensation knows how to rock palm fronds and coat hangers!



  • Natural Beauty & Fashion

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Insect 'extinction event' will transform nature

More than 40% of the world's insect species are threatened with extinction, and their loss could upend nature as we know it.




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Contamination transformation

Contaminated sites being used to house wind farms, solar arrays and geothermal power plants.




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Transforming global health supply chains through data visibility

Health systems in emerging markets have not realized the benefits of data visibility to global health supply-chain operations. To do so, health-system leaders will need to take four critical actions.



  • Public Sector Insights

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How the Bio Revolution could transform the competitive landscape

The disruption ahead extends well beyond healthcare. Are you prepared?




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How moon mining could transform the economy and space travel

The moon is surprisingly rich in water, nuclear fuel and rare metals, which is why humans are interested in mining it.




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Goodbye, kerosene: How solar could transform Africa

Kerosene lanterns are dangerous, polluting and unhealthy. That's why one charity aims to eliminate them by the end of the decade.




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Sinking temperatures jumpstart winter transformation of Yellowstone waterfall

Osprey Falls at Yellowstone National Park is starting to freeze as this video shows.



  • Climate & Weather

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Lake Erie winds transform houses into tawny ice palaces

Freezing winds from Lake Erie turned houses into ice after two days of gale-force winds.



  • Climate & Weather

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Danish designers transform seaweed into stylish home furnishings

Finally, a clever use for marine algae that appeals to both Danish mer-folk and lovers of Scandinavian design.



  • Remodeling & Design

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Artists transform old Ikea furniture into 'wildhomes' for urban wildlife

Birds, bees, bats and bees in one London park just got swank new digs courtesy of upcycled Ikea furniture.



  • Remodeling & Design

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Sydney wants to transform abandoned rail tunnels into nightlife hotspot

Officials in New South Wales are confident that transforming the ghost tunnels could have 'global potential.'




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Driving transformation with laser-guided autonomous vehicles

See how the machines are making work safer at one Georgia-Pacific plant in Crossett, Ark.



  • Wilderness & Resources

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Kickboxing Clients at iLoveKickboxingSandy Go Through a Body and Mind "Make-over" in iLoveKickboxing's 45 Day Transformation Contest

Kickboxing clients in Sandy UT participate in iLoveKickboxing.com's National 45 Day Transformation Contest and achieve a better mindset towards fitness and personal growth as they transform their mind and body.




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iLoveKickboxing's 2nd Annual 45 Day Transformation Challenge Starts Off with a Bang at Sandy, UT Location

Clients of iLoveKickboxing-Sandy get ready to start the 2nd annual 45 day transformation contest this week.