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Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials

A new processing technique for synchrotron scanning 3D X-ray diffraction data is introduced, utilizing symmetric Bragg reflections hkl and hkl, known as Friedel pairs. This technique is designed to tackle the difficulties associated with large, highly deformed, polyphase materials, especially geological samples.




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Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials

The present study introduces a processing strategy for synchrotron scanning 3D X-ray diffraction (s3DXRD) data, aimed at addressing the challenges posed by large, highly deformed, polyphase materials such as crystalline rocks. Leveraging symmetric Bragg reflections known as Friedel pairs, our method enables diffraction events to be precisely located within the sample volume. This method allows for fitting the phase, crystal structure and unit-cell parameters at the intra-grain scale on a voxel grid. The processing workflow incorporates several new modules, designed to (i) efficiently match Friedel pairs in large s3DXRD datasets containing up to 108 diffraction peaks; (ii) assign phases to each pixel or voxel, resolving potential ambiguities arising from overlap in scattering angles between different crystallographic phases; and (iii) fit the crystal orientation and unit cell locally on a point-by-point basis. We demonstrate the effectiveness of our technique on fractured granite samples, highlighting the ability of the method to characterize complex geological materials and show their internal structure and mineral composition. Additionally, we include the characterization of a metal gasket made of a commercial aluminium alloy, which surrounded the granite sample during experiments. The results show the effectiveness of the technique in recovering information about the internal texture and residual strain of materials that have undergone high levels of plastic deformation.




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Redetermination of germacrone type II based on single-crystal X-ray data

The extraction and purification procedures, crystallization and crystal structure refinement (single-crystal X-ray data) of germacrone type II, C15H22O, are presented. The structural results are compared with a previous powder X-ray synchrotron study [Kaduk et al. (2022). Powder Diffr. 37, 98–104], revealing significant improvements in terms of accuracy and precision. Hirshfeld atom refinement (HAR), as well as Hirshfeld surface analysis, give insight into the inter­molecular inter­actions of germacrone type II.




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Redetermined structure of 4-(benz­yloxy)benzoic acid

In the title compound, C14H14O3, the dihedral angle between the aromatic rings is 39.76 (9)°. In the crystal, the mol­ecules associate to form centrosymmetric acid–acid dimers linked by pairwise O—H⋯O hydrogen bonds. The precision of the geometric parameters in the present single-crystal study is about an order of magnitude better than the previous powder diffraction study [Chattopadhyay et al. (2013). CrystEngComm, 15, 1077–1085].




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Redetermined structure of methyl 3-{4,4-di­fluoro-2-[2-(methoxy­car­bon­yl)­ethyl]-1,3,5,7-tetra­methyl-4-bora-3a,4a-di­aza-s-in­da­cen-6-yl}pro­pion­ate

In the title compound, C21H27BF2N2O4, a highly fluorescent boron–dipyrromethene dye, the methyl­propionate moieties have different conformations. In the crystal, weak C—H⋯F and C—H⋯O inter­actions link the mol­ecules. Some optical properties are presented.




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Unity gives strength: combining Bertaut's and Belov's concepts and the formalism of aperiodic crystals to solve magnetic structures of unprecedented complexity




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Synthesis and redetermination of the crystal structure of NbF5

Single crystals of NbF5, niobium(V) fluoride, have been obtained by the reaction of niobium metal in a stream of dilute elemental fluorine at 473 K and subsequent sublimation. The as-obtained bulk phase compound was shown to be pure by powder X-ray diffraction at 293 K and by IR and Raman spectroscopy. A single-crystal X-ray analysis was conducted at 100 K. In comparison to the previously reported structure model [Edwards (1964). J. Chem. Soc. pp. 3714–3718], the lattice parameters and fractional atom coordinates were determined to much higher precision and individual, anisotropic displacement parameters were refined for all atoms.




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Federal Trade Commission introduces final click-to-cancel rule

The Federal Trade Commission (FTC) has...




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Could California Be The Next State To Legalize Psychedelics?

Don't fear the 'shrooms.; Credit: /iStockphoto.com

AirTalk

California on Tuesday moved another step closer to decriminalizing psychedelics — amid a debate over whether their prohibition is an outdated remnant of the War on Drugs — after the author removed a substance (ketamine) from the bill that opponents said can be used as a date-rape drug.

The bill would allow those 21 and older to possess for personal use and “social sharing” psilocybin, the hallucinogenic component of so-called magic mushrooms. It also covers psilocybin, dimethyltryptamine (DMT), ibogaine, mescaline excluding peyote, lysergic acid diethylamide (LSD) and 3,4-methylenedioxymethamphetamine (MDMA, often called ecstasy).

The bill bars sharing with those under age 21 or possessing the substances on school grounds. It would remove the state’s ban on cultivating or transferring mushroom spores or other material containing psilocybin or psilocybin.

Even if California makes the bill law, the drugs would still be illegal under federal law.

With files from the Associated Press.

Guests:

Scott Wiener, author of SB 519; California State Senator representing Senate District 11, which includes all of the city and county of San Francisco, Broadmoor, Colma, Daly City, and part of South San Francisco; he tweets @Scott_Wiener

John Lovell, legislative director of the California Narcotics Officers Association

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




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The Justice Department Is Pausing Federal Executions After They Resumed Under Trump

Attorney General Merrick Garland ordered a pause on federal executions Thursday while the Justice Department reviews policies and procedures on capital punishment.; Credit: Win McNamee/Getty Images

Alana Wise | NPR

Updated July 1, 2021 at 8:28 PM ET

Attorney General Merrick Garland has imposed a moratorium on scheduling federal executions, the Department of Justice announced on Thursday. The department will review its policies and procedures on capital punishment, following a wave of federal executions carried out under the Trump administration.

In a memo to the Justice Department, Garland justified his decision to halt the deeply controversial practice, citing factors including its capricious application and outsized impact on people of color.

"The Department of Justice must ensure that everyone in the federal criminal justice system is not only afforded the rights guaranteed by the Constitution and laws of the United States, but is also treated fairly and humanely. That obligation has special force in capital cases," Garland said in the memo.

"Serious concerns have been raised about the continued use of the death penalty across the country, including arbitrariness in its application, disparate impact on people of color, and the troubling number of exonerations in capital and other serious cases," he added. "Those weighty concerns deserve careful study and evaluation by lawmakers."

Under former President Donald Trump, the federal government carried out its first executions in a generation last year, with 13 inmates put to death in Trump's final year in office. That included an unprecedented number of federal killings carried out in the last days of his single-term presidency, bucking a nearly century-and-a-half practice of pausing capital punishments during the presidential exchange of power.

Then-Attorney General William Barr said the executions were being carried out in cases of "staggeringly brutal murders." Civil rights activists had rallied to spare the lives of those on death row. Concerns of how humanely the sentences could be carried out, as well as the recent exonerations of a number of death row inmates, were major factors in the demonstrations to cease state-sanctioned killings.

"The Department must take care to scrupulously maintain our commitment to fairness and humane treatment in the administration of existing federal laws governing capital sentences," Garland said in his memo on Thursday.

President Biden, who nominated Garland to the top law enforcement post, opposes capital punishment. During his campaign, Biden pledged to pass legislation to end the federal death penalty.

Some congressional Democrats have been working on such legislation, but no action has been taken. Some progressives and activists opposed to capital punishment had been expressing frustration that they have not seen more movement on the issue from Biden.

"A moratorium on federal executions is one step in the right direction, but it is not enough," said Ruth Friedman, director of the Federal Capital Habeas Project. "We know the federal death penalty system is marred by racial bias, arbitrariness, over-reaching, and grievous mistakes by defense lawyers and prosecutors that make it broken beyond repair."

Friedman said Biden should commute all federal death sentences, warning that a pause alone "will just leave these intractable issues unremedied and pave the way for another unconscionable bloodbath like we saw last year."

Copyright 2021 NPR. To see more, visit https://www.npr.org.

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




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Assistant County Manager Dewey Harris earns international Credentialed Manager distinction.

Catawba County Assistant County Manager Dewey Harris has earned the International City/County Management Association's (ICMA) Credentialed Manager designation. Established in 2002, the ICMA Credentialed Manager program recognizes professional government managers whom the ICMA certifies as having a "commitment to continuous learning and professional development".




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National Campaign Needed to Fight The Hidden Epidemic of Sexually Transmitted Diseases

A bold national initiative is needed to reduce the enormous health burden of sexually transmitted diseases (STDs) in the United States, according to a new report from a committee of the Institute of Medicine.




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More Effort Needed to Avoid Problems Associated With New Flight Control Systems

More targeted aircraft testing and simulation should be conducted to uncover design characteristics in new flight control systems that -- in rare circumstances -- may mislead pilots and result in unstable or dangerous flight conditions, says a new report by a National Research Council committee.




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Reforms Needed to Improve Childrens Reading Skills

Widespread reforms are needed to ensure that all children are equipped with the skills and instruction they need to learn to read, according to a new report from a committee of the National Research Council.




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Science-Based, Unified Approach Needed To Safeguard the Nations Food Supply

Outdated food safety laws and a fragmented federal structure serve as barriers to improving protection of the nations food supply from contamination or other hazards, according to Ensuring Safe Food From Production to Consumption.




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New Research Needed to Improve Detection, Identification Techniques for Finding Pipe Bombs, Catching Bomb Makers

Increased research is the key to developing more widely applicable detection systems to find pipe bombs before they explode and to help catch the perpetrators when a bomb has gone off, says a new report from a committee of the National Research Council.




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Research Needed to Reduce Scientific Uncertainty About Effects of Hormonally Active Agents in the Environment

Although there is evidence of harmful health and ecological effects associated with exposure to high doses of chemicals known as hormonally active agents – or endocrine disrupters – little is understood about the harm posed by exposure to the substances at low concentrations, such as those that typically exist in the environment, says a new report from a National Research Council committee.




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Federal Fuel Economy Standards Program Should Be Retooled

Although the federal program that sets fuel economy standards for cars and light-duty trucks has helped reduce U.S. dependence on imported oil and lower emissions of greenhouse gases, changes to the program could further cut the nations petroleum dependence and provide more flexibility to carmakers.




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More Data Needed to Determine if Contaminated Polio Vaccine From 1955-1963 Causes Cancer in Adults Today

Scientific evidence is insufficient to prove or disprove the theory that exposure to polio vaccine contaminated with a monkey virus between 1955 and 1963 has triggered cancer in humans, says a new report from the Institute of Medicine of the National Academies.




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Overhaul of Government Public Health Infrastructure, New Partners Needed to Address Nations Health Challenges

As the recent spread of West Nile virus and the anthrax scare of 2001 dramatically illustrate, America faces a variety of new health challenges in the 21st century, along with a number of persistent problems, such as racial disparities in health status and care delivery.




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Changes Needed to Improve Operation of U.S. Patent System

To enhance the vitality and overall operation of the nations patent system, federal officials should take decisive steps to increase the systems flexibility, openness, and reliability, says a new report from the National Academies National Research Council.




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Data on Firearms and Violence Too Weak to Settle Policy Debates - Comprehensive Research Effort Needed

The role of guns in U.S. society is a subject of intense policy debate and disagreement.




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Preterm Births Cost U.S. $26 Billion a Year - Multidisciplinary Research Effort Needed to Prevent Early Births

The high rate of premature births in the United States constitutes a public health concern that costs society at least $26 billion a year, according to a new report from the Institute of Medicine of the National Academies.




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Some Pollinator Populations Declining - Improved Monitoring and More Biological Knowledge Needed to Better Assess Their Status

Long-term population trends for some North American pollinators -- bees, birds, bats, and other animals and insects that spread pollen so plant fertilization can occur -- are demonstrably downward, says a new report from the National Research Council.




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Most Social Security Representative Payees Perform Duties Well But Changes Needed to Better Prevent and Detect Misuse of Funds

Although most people who receive and manage Social Security benefits on behalf of other individuals perform their duties well.




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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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Population Aging Will Have Long-Term Implications for Economy - Major Policy Changes Needed

The aging of the U.S. population will have broad economic consequences for the country, particularly for federal programs that support the elderly, and its long-term effects on all generations will be mediated by how -- and how quickly -- the nation responds, says a new congressionally mandated report from the National Research Council.




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U.S. Should Significantly Reduce Rate of Incarceration - Unprecedented Rise in Prison Population ‘Not Serving the Country Well,’ Says New Report

Given the minimal impact of long prison sentences on crime prevention and the negative social consequences and burdensome financial costs of U.S. incarceration rates, which have more than quadrupled in the last four decades, the nation should revise current criminal justice policies to significantly reduce imprisonment rates, says a new report from the National Research Council.




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Analysis Used by Federal Agencies to Set Fuel Economy and Greenhouse Gas Standards for U.S. Cars Was Generally of High Quality - Some Technologies and Issues Should Be Re-examined

The analysis used by federal agencies to set standards for fuel economy and greenhouse gas emissions for new U.S. light-duty vehicles -- passenger cars and light trucks -- from 2017 to 2025 was thorough and of high caliber overall, says a new report from the National Research Council.




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Increase in the Number of Children Who Receive Federal Disability Benefits for Speech and Language Disorders Similar to Trends in the General Population, Says New Report

The increase in the number of children from low-income families who are receiving federal disability benefits for speech and language disorders over the past decade parallels the rise in the prevalence of these disorders among all U.S. children, says a new report by the National Academies of Sciences, Engineering, and Medicine.




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Report Affirms the Goal of Elimination of Civilian Use of Highly Enriched Uranium and Calls for Step-wise Conversion of Research Reactors Still Using Weapon-grade Uranium Fuel - 50-year Federal Roadmap for Neutron-based Research Recommended

Efforts to convert civilian research reactors from weapon-grade highly enriched uranium (HEU) to low enriched uranium (LEU) fuels are taking significantly longer than anticipated, says a congressionally mandated report from the National Academies of Sciences, Engineering, and Medicine.




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Revisions to WIC Program Needed - Changes Would Save Money Over Time

A new congressionally mandated report from the National Academies of Sciences, Engineering, and Medicine proposes updated revisions to the Special Supplemental Nutrition Program for Women, Infants, and Children (WIC) to better align with the Dietary Guidelines for Americans and promote and support breast-feeding.




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Federal Regulatory Agencies Need to Prepare for Greater Quantity and Range of Biotechnology Products

A profusion of biotechnology products is expected over the next five to 10 years, and the number and diversity of new products has the potential to overwhelm the U.S. regulatory system, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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United States Skilled Technical Workforce Is Inadequate to Compete in Coming Decades - Actions Needed to Improve Education, Training, and Lifelong Learning of Workers

Policymakers, employers, and educational institutions should take steps to strengthen the nation’s skilled technical workforce, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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New Report Calls on Federal and State Collaboration to Address Brucellosis Transmission From Elk

Efforts to control brucellosis in the Greater Yellowstone Area (GYA) should focus on reducing the risk of transmission from elk, which are now viewed as the primary source of the infection in new cases occurring in cattle and domestic bison, says a new report by the National Academies of Sciences, Engineering, and Medicine.




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New Report Calls for Comprehensive Redesign of Process for Updating Dietary Guidelines for Americans

Although the process used to develop the Dietary Guidelines for Americans (DGA) has become more evidence-based since its inception more than 30 years ago, it is not currently positioned to effectively adapt to changes such as food diversity and chronic disease prevalence, while also ensuring the integrity of the process, says a new congressionally mandated report from the National Academies of Sciences, Engineering, and Medicine.




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Report Offers Guidance to Federal Government on Creating a New Statistics Entity to Combine Data From Multiple Sources While Protecting Privacy

A new report from the National Academies of Sciences, Engineering, and Medicine offers detailed recommendations to guide federal statistical agencies in creating a new entity that would enable them to combine data from multiple sources in order to provide more relevant, timely, and detailed statistics – for example, on the unemployment rate or the rate of violent crime.




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Report Offers Framework to Guide Decisions About Spirit Lake and Toutle River System at Mount St. Helens - Inclusive Decision-Making Process Is Needed

A new report from the National Academies of Sciences, Engineering, and Medicine offers a framework to guide federal, tribal, state and local agencies, community groups, and other interested and affected parties in making decisions about the Spirit Lake and Toutle River system, near Mount St. Helens in southwest Washington state.




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New Report Calls for Lowering Blood Alcohol Concentration Levels for Driving, Increasing Federal and State Alcohol Taxes, Increasing Enforcement, Among Other Recommendations

Despite progress in recent decades, more than 10,000 alcohol-impaired driving fatalities occur each year in the U.S. To address this persistent problem, stakeholders -- from transportation systems to alcohol retailers to law enforcement -- should work together to implement policies and systems to eliminate these preventable deaths, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Integration of a Wide Range of Safety Systems Is Needed to Develop an In-Time Aviation Safety Management System, New Report Says

A comprehensive aviation safety system as envisioned by NASA would require integration of a wide range of systems and practices, including building an in-time aviation safety management system (IASMS) that could detect and mitigate high-priority safety issues as they emerge and before they become hazards, says a new report by the National Academies of Sciences, Engineering, and Medicine.




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Reforms Needed to Strengthen U.S. Biomedical Research System for Next Generation of Scientists

A new report from the National Academies of Sciences, Engineering, and Medicine calls for a series of substantial reforms to strengthen the U.S. biomedical research system for the next generation of scientists.




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Improvements Needed to Achieve More Efficiency, Quality of Census Bureau’s Annual Economic Surveys

The U.S. Census Bureau should develop a detailed concept and implementation plan for an Annual Business Survey System (ABSS) to replace the current suite of largely separate annual economic surveys, says a new report by the National Academies of Sciences, Engineering, and Medicine.




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Permanent Supportive Housing Holds Potential for Improving Health of People Experiencing Homelessness, but Further Research on Effectiveness Is Needed, Including Studies On ‘Housing Sensitive’ Health Conditions

A new report from the National Academies of Sciences, Engineering, and Medicine examines evidence on whether providing permanent supportive housing (PSH) – a combination of stable housing and supportive services -- to individuals who are experiencing homelessness improves their health.




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U.S. Department of Transportation Should Revisit Federal Safety Regulations for Liquid Petroleum Gas Distribution Systems, Says New Report

Current federal safety regulations for small distribution systems used for propane and other liquefied petroleum gases (LPGs) should be improved for clarity, efficiency, enforceability, and applicability to risk, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Independent Reviews, Environmental Assessments Needed to Build Trust and Inform DOE NNSA’s Plans if it Proceeds with the Dilution and Disposal Process of Surplus Plutonium

If the dilute and dispose approach for disposing of the surplus plutonium in the Waste Isolation Pilot Plant (WIPP) is fully implemented, the U.S. Department of Energy (DOE) should use two independent review teams to develop public trust in and improve its decisions, says a new interim report by the National Academies of Sciences, Engineering, and Medicine.




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Minority-Serving Colleges and Universities Are Positioned to Serve as a Greater Resource for Meeting U.S. STEM Workforce Needs, But Increased Attention and Investments Are Needed

Higher education leaders, policymakers, and the private sector should take a range of actions to strengthen STEM programs and degree attainment in the nation’s Minority Serving Institutions (MSIs), says a new report from the National Academies of Sciences, Engineering, and Medicine.




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New Investments Are Needed to Sustain NASA’s Instrumentation and Facilities for Future Extraterrestrial Sample Analyses, Says New Report

NASA’s investment in new instruments to analyze extraterrestrial samples is insufficient to provide for replacement of existing instruments, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Biotechnology Holds Promise for Protecting Forest Health, But Investments in Research Are Needed, Along With Public Dialogue

Biotechnology has the potential to be a part of the solution in protecting forest trees against destructive pest and disease outbreaks




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Breakthrough Solutions and Technologies Needed to Speed Cleanup of U.S. Nuclear Weapons Sites

A new report from the National Academies of Sciences, Engineering, and Medicine recommends changes in the way that the U.S. Department of Energy manages science and technology (S&T) development in order to accelerate the cleanup of radioactive waste and contaminated soil, groundwater, and facilities at U.S. nuclear weapons sites.




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Federal Investments Are Imperative for Continued Success in Highway Innovation, Says New Report

The nation’s highways and roads connect almost 330 million Americans and are important to both commerce and national security. Two-thirds of total passenger travel in the country moves along this vast network of roads, as does 60 percent of the weight and almost three-quarters of the value of total U.S. freight transported.