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Syntheses and crystal structures of a new family of hybrid perovskites: C5H14N2·ABr3·0.5H2O (A = K, Rb, Cs)

The syntheses and crystal structures of three hybrid perovskites, viz. poly[1-methyl­piperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate], {(C5H14N2)[KBr3]·0.5H2O}n, (I), poly[1-methyl­piperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate], {(C5H14N2)[RbBr3]·0.5H2O}n, (II), and poly[1-methyl­piperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate], {(C5H14N2)[CsBr3]·0.5H2O}n, (III), are described. These isostructural (space group Amm2) phases contain a three-dimensional, corner-sharing network of distorted ABr6 octa­hedra (A = K, Rb, Cs) with the same topology as the classical perovskite structure. The doubly protonated C5H14N22+ cations occupy inter­stices bounded by eight octa­hedra and the water mol­ecules lie in square sites bounded by four octa­hedra. N—H⋯Br, N—H⋯(Br,Br), N—H⋯O and O—H⋯Br hydrogen bonds consolidate the structures.




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Structure of the MICU1–MICU2 heterodimer provides insights into the gatekeeping threshold shift

Mitochondrial calcium uptake proteins 1 and 2 (MICU1 and MICU2) mediate mitochondrial Ca2+ influx via the mitochondrial calcium uniporter (MCU). Its molecular action for Ca2+ uptake is tightly controlled by the MICU1–MICU2 heterodimer, which comprises Ca2+ sensing proteins which act as gatekeepers at low [Ca2+] or facilitators at high [Ca2+]. However, the mechanism underlying the regulation of the Ca2+ gatekeeping threshold for mitochondrial Ca2+ uptake through the MCU by the MICU1–MICU2 heterodimer remains unclear. In this study, we determined the crystal structure of the apo form of the human MICU1–MICU2 heterodimer that functions as the MCU gatekeeper. MICU1 and MICU2 assemble in the face-to-face heterodimer with salt bridges and me­thio­nine knobs stabilizing the heterodimer in an apo state. Structural analysis suggests how the heterodimer sets a higher Ca2+ threshold than the MICU1 homodimer. The structure of the heterodimer in the apo state provides a framework for understanding the gatekeeping role of the MICU1–MICU2 heterodimer.




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Fast and accurate defocus modulation for improved tunability of cryo-EM experiments

Current data collection strategies in electron cryo-microscopy (cryo-EM) record multiframe movies with static optical settings. This limits the number of adjustable parameters that can be used to optimize the experiment. Here, a method for fast and accurate defocus (FADE) modulation during movie acquisition is proposed. It uses the objective lens aperture as an electrostatic pole that locally modifies the electron beam potential. The beam potential variation is converted to defocus change by the typically undesired chromatic aberration of the objective lens. The simplicity, electrostatic principle and low electrical impedance of the device allow fast switching speeds that will enable per-frame defocus modulation of cryo-EM movies. Researchers will be able to define custom defocus `recipes' and tailor the experiment for optimal information extraction from the sample. The FADE method could help to convert the microscope into a more dynamic and flexible optical platform that delivers better performance in cryo-EM single-particle analysis and electron cryo-tomography.




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Using Phaser and ensembles to improve the performance of SIMBAD

The conventional approach to search-model identification in molecular replacement (MR) is to screen a database of known structures using the target sequence. However, this strategy is not always effective, for example when the relationship between sequence and structural similarity fails or when the crystal contents are not those expected. An alternative approach is to identify suitable search models directly from the experimental data. SIMBAD is a sequence-independent MR pipeline that uses either a crystal lattice search or MR functions to directly locate suitable search models from databases. The previous version of SIMBAD used the fast AMoRe rotation-function search. Here, a new version of SIMBAD which makes use of Phaser and its likelihood scoring to improve the sensitivity of the pipeline is presented. It is shown that the additional compute time potentially required by the more sophisticated scoring is counterbalanced by the greater sensitivity, allowing more cases to trigger early-termination criteria, rather than running to completion. Using Phaser solved 17 out of 25 test cases in comparison to the ten solved with AMoRe, and it is shown that use of ensemble search models produces additional performance benefits.




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Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix

The refinement of biomolecular crystallographic models relies on geometric restraints to help to address the paucity of experimental data typical in these experiments. Limitations in these restraints can degrade the quality of the resulting atomic models. Here, an integration of the full all-atom Amber molecular-dynamics force field into Phenix crystallographic refinement is presented, which enables more complete modeling of biomolecular chemistry. The advantages of the force field include a carefully derived set of torsion-angle potentials, an extensive and flexible set of atom types, Lennard–Jones treatment of nonbonded interactions and a full treatment of crystalline electrostatics. The new combined method was tested against conventional geometry restraints for over 22 000 protein structures. Structures refined with the new method show substantially improved model quality. On average, Ramachandran and rotamer scores are somewhat better, clashscores and MolProbity scores are significantly improved, and the modeling of electrostatics leads to structures that exhibit more, and more correct, hydrogen bonds than those refined using traditional geometry restraints. In general it is found that model improvements are greatest at lower resolutions, prompting plans to add the Amber target function to real-space refinement for use in electron cryo-microscopy. This work opens the door to the future development of more advanced applications such as Amber-based ensemble refinement, quantum-mechanical representation of active sites and improved geometric restraints for simulated annealing.




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Extending the scope of coiled-coil crystal structure solution by AMPLE through improved ab initio modelling

The phase problem remains a major barrier to overcome in protein structure solution by X-ray crystallography. In recent years, new molecular-replacement approaches using ab initio models and ideal secondary-structure components have greatly contributed to the solution of novel structures in the absence of clear homologues in the PDB or experimental phasing information. This has been particularly successful for highly α-helical structures, and especially coiled-coils, in which the relatively rigid α-helices provide very useful molecular-replacement fragments. This has been seen within the program AMPLE, which uses clustered and truncated ensembles of numerous ab initio models in structure solution, and is already accomplished for α-helical and coiled-coil structures. Here, an expansion in the scope of coiled-coil structure solution by AMPLE is reported, which has been achieved through general improvements in the pipeline, the removal of tNCS correction in molecular replacement and two improved methods for ab initio modelling. Of the latter improvements, enforcing the modelling of elongated helices overcame the bias towards globular folds and provided a rapid method (equivalent to the time requirements of the existing modelling procedures in AMPLE) for enhanced solution. Further, the modelling of two-, three- and four-helical oligomeric coiled-coils, and the use of full/partial oligomers in molecular replacement, provided additional success in difficult and lower resolution cases. Together, these approaches have enabled the solution of a number of parallel/antiparallel dimeric, trimeric and tetrameric coiled-coils at resolutions as low as 3.3 Å, and have thus overcome previous limitations in AMPLE and provided a new functionality in coiled-coil structure solution at lower resolutions. These new approaches have been incorporated into a new release of AMPLE in which automated elongated monomer and oligomer modelling may be activated by selecting `coiled-coil' mode.




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The influence of deuteration on the crystal structure of hybrid halide perovskites: a temperature-dependent neutron diffraction study of FAPbBr3

This paper discusses the full structural solution of the hybrid perovskite formamidinium lead tribromide (FAPbBr3) and its temperature-dependent phase transitions in the range from 3 K to 300 K using neutron powder diffraction and synchrotron X-ray diffraction. Special emphasis is put on the influence of deuteration on formamidinium, its position in the unit cell and disordering in comparison to fully hydrogenated FAPbBr3. The temperature-dependent measurements show that deuteration critically influences the crystal structures, i.e. results in partially-ordered temperature-dependent structural modifications in which two symmetry-independent molecule positions with additional dislocation of the molecular centre atom and molecular angle inclinations are present.




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Improving grazing-incidence small-angle X-ray scattering–computed tomography images by total variation minimization

Grazing-incidence small-angle X-ray scattering (GISAXS) coupled with computed tomography (CT) has enabled the visualization of the spatial distribution of nanostructures in thin films. 2D GISAXS images are obtained by scanning along the direction perpendicular to the X-ray beam at each rotation angle. Because the intensities at the q positions contain nanostructural information, the reconstructed CT images individually represent the spatial distributions of this information (e.g. size, shape, surface, characteristic length). These images are reconstructed from the intensities acquired at angular intervals over 180°, but the total measurement time is prolonged. This increase in the radiation dosage can cause damage to the sample. One way to reduce the overall measurement time is to perform a scanning GISAXS measurement along the direction perpendicular to the X-ray beam with a limited interval angle. Using filtered back-projection (FBP), CT images are reconstructed from sinograms with limited interval angles from 3 to 48° (FBP-CT images). However, these images are blurred and have a low image quality. In this study, to optimize the CT image quality, total variation (TV) regularization is introduced to minimize sinogram image noise and artifacts. It is proposed that the TV method can be applied to downsampling of sinograms in order to improve the CT images in comparison with the FBP-CT images.




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Significant texture improvement in single-crystalline-like materials on low-cost flexible metal foils through growth of silver thin films

Single-crystalline-like thin films composed of crystallographically aligned grains are a new prototype of 2D materials developed recently for low-cost and high-performance flexible electronics as well as second-generation high-temperature superconductors. In this work, significant texture improvement in single-crystalline-like materials is achieved through growth of a 330 nm-thick silver layer.




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Native bees prove resilient in competition with invasive African honey bees

The spread of Africanized honey bees across Central America has had a much smaller impact on native tropical bee species than scientists previously predicted...

The post Native bees prove resilient in competition with invasive African honey bees appeared first on Smithsonian Insider.




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For first time, scientists prove locusts use vision to place their legs when walking

In their laboratory, scientists from the University of Cambridge, the University of Southampton and the Smithsonian Tropical Research Institute in Panama, observed as a number of adult locusts walked along a horizontal ladder. After covering the right or left eye of an insect, the scientists observed a significant increase in the error rate of rungs missed by the front leg on the side of the covered eye.

The post For first time, scientists prove locusts use vision to place their legs when walking appeared first on Smithsonian Insider.




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Captive colony of Virginia big-eared bats providing valuable lessons in battle against deadly white-nose syndrome

Eleven bats remain in the National Zoo’s colony. The initial challenge the team faced was how to feed the animals. Virginia big-eared bats, which are a subspecies of the Townsend’s big-eared bat (Corynorhinuss townsendii), eat while flying.

The post Captive colony of Virginia big-eared bats providing valuable lessons in battle against deadly white-nose syndrome appeared first on Smithsonian Insider.




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Tiny, new brains prove just as adept as large, mature brains among tropical orb-web spiders

When it comes to brains, is bigger better? Can the tiny brain of a newly hatched spiderling handle problems as adeptly as the brain of a larger adult spider?

The post Tiny, new brains prove just as adept as large, mature brains among tropical orb-web spiders appeared first on Smithsonian Insider.




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New study proves the remora’s sucker disc is in fact a highly modified dorsal fin / Q&A with taxonomist David Johnson

The remora's sucker disc is "one of the most remarkable and most highly modified skeletal structures among vertebrates."

The post New study proves the remora’s sucker disc is in fact a highly modified dorsal fin / Q&A with taxonomist David Johnson appeared first on Smithsonian Insider.






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Kepler spacecraft proves it can still find planets

To paraphrase Mark Twain, the report of the Kepler spacecraft’s death was greatly exaggerated. Despite a malfunction that ended its primary mission in May 2013, […]

The post Kepler spacecraft proves it can still find planets appeared first on Smithsonian Insider.




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Whale tagging in Southeast Pacific provides data for species protection

Whales from both poles migrate long distances to breed in tropical waters. Smithsonian scientist Hector M. Guzman and Fernando Félix at the Salinas Whale Museum […]

The post Whale tagging in Southeast Pacific provides data for species protection appeared first on Smithsonian Insider.




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Bayesian machine learning improves single-wavelength anomalous diffraction phasing

Single-wavelength X-ray anomalous diffraction (SAD) is a frequently employed technique to solve the phase problem in X-ray crystallography. The precision and accuracy of recovered anomalous differences are crucial for determining the correct phases. Continuous rotation (CR) and inverse-beam geometry (IBG) anomalous data collection methods have been performed on tetragonal lysozyme and monoclinic survivin crystals and analysis carried out of how correlated the pairs of Friedel's reflections are after scaling. A multivariate Bayesian model for estimating anomalous differences was tested, which takes into account the correlation between pairs of intensity observations and incorporates the a priori knowledge about the positivity of intensity. The CR and IBG data collection methods resulted in positive correlation between I(+) and I(−) observations, indicating that the anomalous difference dominates between these observations, rather than different levels of radiation damage. An alternative pairing method based on near simultaneously observed Bijvoet's pairs displayed lower correlation and it was unsuccessful for recovering useful anomalous differences when using the multivariate Bayesian model. In contrast, multivariate Bayesian treatment of Friedel's pairs improved the initial phasing of the two tested crystal systems and the two data collection methods.




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Alan Alda: Relating Through Improvisation

As the host of PBS’s “Scientific American Frontiers,” Alan Alda has interviewed scientists, physicists, neuroscientists, and academics. Forging a connection with these guests through freewheeling […]

The post Alan Alda: Relating Through Improvisation appeared first on Smithsonian Insider.



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Mangroves research by Candy Feller, Smithsonian Environmental Research Center botanist

Follow botanist Candy Feller of the Smithsonian Environmental Research Center as she conducts field work on mangrove ecosystems at Carrie Bow Cay, a Smithsonian field research station in the Caribbean.

The post Mangroves research by Candy Feller, Smithsonian Environmental Research Center botanist appeared first on Smithsonian Insider.




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NASA to help Smithsonian botanists track northern creep of Florida mangroves

Candy Feller, senior ecologist at the Smithsonian Environmental Research Center in Edgewater, Md., will lead an effort to track more than 100 miles of Florida mangrove forests that are encroaching on salt marshes to the north.

The post NASA to help Smithsonian botanists track northern creep of Florida mangroves appeared first on Smithsonian Insider.




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New project will improve access to thousands of scientific field books, journals and notes in Smithsonian collections

In 1909, naturalist Dr. Edgar A. Mearns joined Theodore Roosevelt and scientists from the Smithsonian and New York’s American Museum of Natural History on an […]

The post New project will improve access to thousands of scientific field books, journals and notes in Smithsonian collections appeared first on Smithsonian Insider.




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Mangroves creep north in response to warmer temperatures

As mangrove trees lose ground to deforestation and urban sprawl, one development seems to be giving them a boost: climate change. Fewer winter cold snaps […]

The post Mangroves creep north in response to warmer temperatures appeared first on Smithsonian Insider.




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The strange, controversial way plants trap CO2

Plants are among the world’s best carbon sinks, but there’s a side to the plant-CO2 love affair that’s rarely discussed. When carbon dioxide rises, plants […]

The post The strange, controversial way plants trap CO2 appeared first on Smithsonian Insider.




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Who's Who in Payments 2020 – Complete Overview of Key Payment Providers

Who’s Who in Payments – Complete Overview of Key Payment Providers encompasses key trends in the payments industry.




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Improving the solubility of berberine




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Domain formation and phase transitions in the wurtzite-based heterovalent ternaries: a Landau theory analysis

A Landau theory for the wurtzite-based heterovalent ternary semiconductor ZnSnN2 is developed and a first-order reconstructive phase transition is proposed as the cause of observed crystal structure disorder. The model infers that the phase transition is paraelectric to antiferroelectric.




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The Fedorov–Groth law revisited: complexity analysis using mineralogical data

Using mineralogical data, it is demonstrated that chemical simplicity measured as an amount of Shannon information per atom on average corresponds to higher symmetry measured as an order of the point group of a mineral, which provides a modern formulation of the Fedorov–Groth law.




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Child care advocates hold hopes high for new bill to unionize providers

Child care provider Antonia Rivas leads children in yoga at her Reseda home on Feb. 13. Senate President Pro Tem Kevin de Leon is introducing a bill to fund child care and provider training, and set up a structure to facilitate collective bargaining for family child care workers.; Credit: File Photo: Maya Sugarman/KPCC

Deepa Fernandes

Senate President Pro Tem Kevin de Leon is introducing a new bill on Wednesday that aims to address the state's critical child care shortage and give providers the right to unionize.

The lack of sufficient child care has been statewide. In Los Angeles County, a recent study found only 2 percent of infants and toddlers have access to a licensed child care facility; for preschoolers, it's about 40 percent.

The shortage is most acute in low-income areas, and the bill aims to inject more child care vouchers into the system so poor families can have free child care.

A more controversial provision, however, would allow collective bargaining for those who provide child care in their homes whose earnings can fall near or below the minimum wage. Child advocates cite poor pay as a major reason why providers often leave the field.

“The turnover in the child care field is approaching 30 percent. So the lack of continuity and quality care is a major obstacle,” said El Cerrito Mayor Mark Friedman.

Friedman co-chairs a coalition of early childhood groups called Raising California Together. Preschool advocacy groups, anti-poverty and immigrant groups, NAACP, and the Santa Monica school district count among its members.

“I think one thing everybody agrees on as a high priority is getting more resources in the system, and if there is a strong union presence in the field that then there will be a stronger voice for those additional resources,” said Friedman. 

Under the bill,  a network of 32,000 home childcare providers statewide could unionize. Currently, providers operate as independent business owners and typically lack the right to organize and collectively bargain for wages.

Finding child care

For many families, having a quality child care option is their most pressing need.

Vicky Montoya, a Reseda mother of three, is desperate for a child care alternative to family members. Montoya’s 18-month-old son, Esteban, is a bright-eyed toddler who loves balls. He can fling one clear across a room, even a field. But all too often, when both his parents are at work, he’s not doing much.

“Sometimes he’s with an aunt, sometimes with my eldest daughter,” Montoya said in Spanish. “But he doesn’t really do anything, all he does is watch cartoons on TV. And he’s alone, there’s no other children around.”

Montoya works five hours a day at a solar company, where she makes $10 an hour. Her family depends on her income to supplement her husband’s low-wage, full-time job. Montoya applied for a child care voucher so Esteban could go to a properly licensed day care. She submitted two applications to a local agency over the last two months.

When she called the agency to find out the status of her applications, she said she wasn't given much information. “'You are on the waiting list,'” she said they told her, “'and there are people ahead of you.'”

Seeking unions as a solution

In Maryland, unionized providers reduced the wait list for poor families by 80 percent by securing state dollars to fund more free child care slots. According to a 2010 report by the National Women's Law Center, 14 states guarantee home-based child care workers the right to unionize.

SEIU Local 99 spokesperson Terry Carter said what local providers tell her is that they want a seat at the table where child care decisions are made.

“What collective bargaining would do for providers is it would let them sit down with the top decision makers in the state and say these are things that are simple to fix, they would vastly improve our ability to operate our businesses and they would give us the time to direct more of our attention and energies into raising California’s kids,” Carter said.  

Some of those issues include delayed government payments for subsidized child child and the low reimbursement rate from the state for serving low-income kids.

Antonia Rivas, a Reseda child care provider, knows well the struggle of providing care in her home. She infuses yoga and meditation into daily lessons, and buys organic food, her major expense.

But she also has to pay her assistants, buy toys, books, and supplies. After her costs, she said there is not much left.

“I just got my 2014 W-2 and it's $24,000,” Rivas said. Her W-2 comes from the agency that pays her for the low-income kids she serves. Add to that the $15,000 from her private paying families and Rivas pulled in about $40,000 last year. After expenses, she estimates she netted less than the minimum wage for her time.

Rivas said with her low wages and delays in receiving payments from government agencies for subsidized child care, she is constantly relying on credit to keep her business running.

“We need to get a contract [and] better pay,” Rivas said.

Even if the child care legislation passes, a contract with the state would be a long way down the road. All child care providers would need to vote on whether they want union representation. And, if all that is successful, child care providers could then negotiate a labor contract.

Similar bills granting child care providers the right to unionize have made it out of the legislature, but both Gov. Arnold Schwarzenegger and Gov. Jerry Brown have vetoed them.

Opponents have called the effort to organize providers a move to empower labor unions, not fix a broken child care system. 

Recent legal rulings are also presenting challenges to unions seeking to organize both child care workers and health care workers. The U.S. Supreme Court ruled last year in an Illinois case that home health workers could opt out of paying union dues, even though they are paid with state subsidies.

While Vicky Montoya waits for a better solution for her son's care, she pays Esteban’s aunt or a neighbor $10 a day to watch him while she works.

“I know lots of families who have to leave their children with a babysitter, usually just a woman who watches the child. But they are not trained and even their homes are not suitable for childcare,” she said. 

Correction: A previous version of this story erroneously described a U.S. Supreme Court case as originating in Minnesota. 

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




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Election 2015: iPad controversy looms large in LAUSD District 3 board race

At a recent LAUSD District 3 school board debate, teachers dressed as FBI agents in protest of board member Tamar Galatzan's support of the iPad program.; Credit: Annie Gilbertson/KPCC

Annie Gilbertson

As the city's March 3 primary election draws near, Los Angeles Unified school board candidates are blasting incumbents for the controversial iPad program.

Opponents sharply criticized the $1.3 billion bond-funded program at a debate Tuesday in West San Fernando Valley, where District 3 school board member Tamar Galatzan was elected in 2007.

"Galatzan said the district is going in the right direction," declared candidate Carl Petersen, a parent and businessman. "I don’t know how anyone can look at the events of the past year and come to that conclusion."

RELATED: LAUSD District 5 school board candidates face off in debate

The program attracted national attention last December when the FBI raided district offices and carted off 20 boxes of bids, evaluations and correspondences with executives at Apple and its subcontractor Pearson, the manufacturer of the learning software loaded on to each device. The investigation is ongoing.

At the debate, teachers dressed in dark windbreakers with FBI plastered on the back in protest to Galatzan's support of the program. (They have not held similar demonstrations at election events in East Los Angeles' District 5, where Bennett Kayser, a teacher union ally, is running for re-election.)

Tom Richards, a Granada Hills parent, said he considers the iPad program a central issue as he weighs candidates.

"I think it's absolutely ridiculous," Richards said. "I don't believe that's a good way to spend the money that they have. Looking at some really fundamental needs — we don't have a librarian, but we want to give iPads?" 

Galatzan was an early advocate for more technology in the classroom; it was her goal even before the iPad was on the market.

"There is a whole world out there that can be accessed through technology, and we need to take advantage of that," Galatzan told KPCC.

Her advocacy of technology hasn't always been controversial. Galatzan points to her 2010 initiative to fund school computer labs with a settlement from Microsoft.

The school board's support of the iPad program varied the first year, but waned in August after KPCC published a series of emails showing district administrators had close ties with Pearson, calling into question whether the bidding process was fair. Problems with the rollout of the devices and the effectiveness of the software they contained also eroded support for the program.

Still, school board members unanimously approved more iPad purchases after the FBI investigation came to light. Superintendent Ramon Cortines said the tablets were necessary for new digital state tests scheduled this spring and offered to purchase them under a different contract with Apple to avoid complications involving the federal probe.

If the candidates' positions are a measure of support for the program, it's unpopular at best.  All of Galatzan's opponents are against it. 

When asked in a KPCC election survey conducted if he supported the iPad program, Scott Schmerelson, a retired administrator and District 3 contender, responded: "Not when you are paying for them from LAUSD Bond Money! The taxpayers generously supported the bond issue with the belief that the money would be used to repair and modernize our schools." 

Candidate Ankur Patel said in his answer to the survey, "I oppose the LAUSD’s iPad program. Throughout the program, important questions were not asked enough, and when they were, they were not answered properly."

Filiberto Gonzalez, another Galatzan challenger, said of the iPad project: "It was a mistake and ill-conceived from the very beginning. As was noted in the report by the U.S. Department of Education last month, the Common Core Technology Project (iPad program) lacked 'established metrics of success' and 'was difficult to show the impact of the investment.'

Elizabeth Badger Bartels is also running for the District 3 seat, but did not respond to the survey by deadline.

For more information on the school board candidates' positions and their backgrounds, read KPCC's 2015 Los Angeles primary election guide.

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




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Facial recognition technique could improve hail forecasts

Full Text:

The same artificial intelligence technique typically used in facial recognition systems could help improve prediction of hailstorms and their severity, according to a new, National Science Foundation-funded study. Instead of zeroing in on the features of an individual face, scientists trained a deep learning model called a convolutional neural network to recognize features of individual storms that affect the formation of hail and how large the hailstones will be, both of which are notoriously difficult to predict. The promising results highlight the importance of taking into account a storm's entire structure, something that's been challenging to do with existing hail-forecasting techniques.

Image credit: Carlye Calvin




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When human expertise improves the work of machines

Full Text:

Machine learning algorithms can sometimes do a great job with a little help from human expertise, at least in the field of materials science. In many specialized areas of science, engineering and medicine, researchers are turning to machine learning algorithms to analyze data sets that have grown too large for humans to understand. In materials science, success with this effort could accelerate the design of next-generation advanced functional materials, where development now usually depends on old-fashioned trial and error. By themselves, however, data analytics techniques borrowed from other research areas often fail to provide the insights needed to help materials scientists and engineers choose which of many variables to adjust -- and the techniques can't account for dramatic changes such as the introduction of a new chemical compound into the process. In a new study, researchers explain a technique known as dimensional stacking, which shows that human experience still has a role to play in the age of machine intelligence. The machines gain an edge at solving a challenge when the data to be analyzed are intelligently organized based on human knowledge of what factors are likely to be important and related. "When your machine accepts strings of data, it really does matter how you are putting those strings together," said Nazanin Bassiri-Gharb, the paper's corresponding author and a scientist at the Georgia Institute of Technology. "We must be mindful that the organization of data before it goes to the algorithm makes a difference. If you don't plug the information in correctly, you will get a result that isn't necessarily correlated with the reality of the physics and chemistry that govern the materials."

Image credit: Rob Felt/Georgia Tech




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Payment provider ASF secures over GBP 14 mln investment

UK-based automotive payment provider Auto Service Finance has secured a debt and...




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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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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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U.S. Health Care Delivery System Needs Major Overhaul To Improve Quality and Safety

The nations health care industry has foundered in its ability to provide safe, high-quality care consistently to all Americans, says a new report from the Institute of Medicine of the National Academies. Reorganization and reform are urgently needed to fix what is now a disjointed and inefficient system.




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Advances in Biotechnology Show Promise For Improving Army Readiness, Soldier Survival

Recent strides in biotechnology offer the promise of new and innovative applications -- from edible vaccines to protein-based electronics components.




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Opening Statement by Paul Tang on Reducing Medical Errors Requires National Computerized Information Systems - Data Standards Are Crucial to Improving Patient Safety

Welcome to the public release of the latest Institute of Medicine report on the quality of health care in America.




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Reducing Medical Errors Requires National Computerized Information Systems - Data Standards Are Crucial to Improving Patient Safety

To significantly reduce the tens of thousands of deaths and injuries caused by medical errors every year, health care organizations must adopt information technology systems that are capable of collecting and sharing essential health information on patients and their care, says a new report by the Institute of Medicine of the National Academies.




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90 Million Americans are Burdened with Inadequate Health Literacy IOM Report Calls for National Effort to Improve Health Literacy

Nearly half of all American adults – 90 million people – have difficulty understanding and using health information, and there is a higher rate of hospitalization and use of emergency services among patients with limited health literacy, says a new report from the Institute of Medicine of the National Academies.




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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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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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Report Updates Guidelines On How Much Weight Women Should Gain During Pregnancy - Calls On Health Care Providers To Help Women Achieve A Healthy Weight Before And During Pregnancy

A growing amount of scientific evidence indicates that how much weight women gain during pregnancy and their starting weight at conception can affect their health and that of their babies, says a new report from the Institute of Medicine and the National Research Council.




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Current Test-Based Incentive Programs Have Not Consistently Raised Student Achievement in U.S. - Improved Approaches Should Be Developed and Evaluated

Despite being used for several decades, test-based incentives have not consistently generated positive effects on student achievement, says a new report from the National Research Council.




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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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Donald Berwick, Champion of Health Care Quality Improvement, Receives Institute of Medicines 2012 Lienhard Award

The Institute of Medicine today presented the 2012 Gustav O. Lienhard Award to Donald M. Berwick, a physician whose work has catalyzed a national movement to improve health care quality and safety.




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New Report Recommends Research to Improve Understanding of Relationship Between Fatigue and Crash Risk for Truck and Bus Drivers

Insufficient sleep can decrease a commercial motor vehicle (CMV) driver’s level of alertness, which may increase the risk of a crash, yet little is known about effective ways to minimize that risk, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Longer-Term Weather and Environmental Forecasts Will Provide Enormous Benefit with More Research and Sustained Investment, New Report Says

Weather and environmental forecasts made several weeks to months in advance can someday be as widely used and essential as current predictions of tomorrow’s weather are, but first more research and sustained investment are needed, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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New Report Identifies Six Practices to Improve Health Care for Disadvantaged Populations

A new report from the National Academies of Sciences, Engineering, and Medicine identifies six promising practices to improve health care for individuals with social risk factors for poor health care outcomes, such as people who are in a low socio-economic position, reside in disadvantaged neighborhoods, identify as a racial or ethnic minority, or possess limited health literacy.