ale Crystal structure, Hirshfeld surface analysis, and DFT and molecular docking studies of 6-cyanonaphthalen-2-yl 4-(benzyloxy)benzoate By journals.iucr.org Published On :: 2024-10-22 In the title compound, C25H17NO3, the torsion angle associated with the phenyl benzoate group is −173.7 (2)° and that for the benzyloxy group is −174.8 (2)° establishing an anti-type conformation. The dihedral angles between the ten-membered cyanonaphthalene ring and the aromatic ring of the phenyl benzoate and the benzyloxy fragments are 40.70 (10) and 87.51 (11)°, respectively, whereas the dihedral angle between the aromatic phenyl benzoate and the benzyloxy fragments is 72.30 (13)°. In the crystal, the molecules are linked by weak C—H⋯O interactions forming S(4) chains propagating parallel to [010]. The packing is consolidated by three C—H⋯π interactions and two π–π stacking interactions between the aromatic rings of naphthalene and phenyl benzoate with centroid-to-centroid distances of 3.9698 (15) and 3.8568 (15) Å, respectively. Intermolecular interactions were quantified using Hirshfeld surface analysis. The molecular structure was further optimized by density functional theory (DFT) at the B3LYP/6–311+ G(d,p) level, revealing that the energy gap between HOMO and LUMO is 3.17 eV. Molecular docking studies were carried out for the title compound as a ligand and SARS-Covid-2(PDB ID:7QF0) protein as a receptor giving a binding affinity of −9.5 kcal mol−1. Full Article text
ale Fast nanoscale imaging of strain in a multi-segment heterostructured nanowire with 2D Bragg ptychography By journals.iucr.org Published On :: 2024-02-01 Developing semiconductor devices requires a fast and reliable source of strain information with high spatial resolution and strain sensitivity. This work investigates the strain in an axially heterostructured 180 nm-diameter GaInP nanowire with InP segments of varying lengths down to 9 nm, simultaneously probing both materials. Scanning X-ray diffraction (XRD) is compared with Bragg projection ptychography (BPP), a fast single-projection method. BPP offers a sufficient spatial resolution to reveal fine details within the largest segments, unlike scanning XRD. The spatial resolution affects the quantitative accuracy of the strain maps, where BPP shows much-improved agreement with an elastic 3D finite element model compared with scanning XRD. The sensitivity of BPP to small deviations from the Bragg condition is systematically investigated. The experimental confirmation of the model suggests that the large lattice mismatch of 1.52% is accommodated without defects. Full Article text
ale A note on the Hendrickson–Lattman phase probability distribution and its equivalence to the generalized von Mises distribution By journals.iucr.org Published On :: 2024-02-16 Hendrickson & Lattman [Acta Cryst. (1970), B26, 136–143] introduced a method for representing crystallographic phase probabilities defined on the unit circle. Their approach could model the bimodal phase probability distributions that can result from experimental phase determination procedures. It also provided simple and highly effective means to combine independent sources of phase information. The present work discusses the equivalence of the Hendrickson–Lattman distribution and the generalized von Mises distribution of order two, which has been studied in the statistical literature. Recognizing this connection allows the Hendrickson–Lattman distribution to be expressed in an alternative form which is easier to interpret, as it involves the location and concentration parameters of the component von Mises distributions. It also allows clarification of the conditions for bimodality and access to a simplified analytical method for evaluating the trigonometric moments of the distribution, the first of which is required for computing the best Fourier synthesis in the presence of phase, but not amplitude, uncertainty. Full Article text
ale Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution By journals.iucr.org Published On :: 2024-06-07 Neutron spectroscopy uniquely and non-destructively accesses diffusive dynamics in soft and biological matter, including for instance proteins in hydrated powders or in solution, and more generally dynamic properties of condensed matter on the molecular level. Given the limited neutron flux resulting in long counting times, it is important to optimize data acquisition for the specific question, in particular for time-resolved (kinetic) studies. The required acquisition time was recently significantly reduced by measurements of discrete energy transfers rather than quasi-continuous neutron scattering spectra on neutron backscattering spectrometers. Besides this reduction in acquisition times, smaller amounts of samples can be measured with better statistics, and most importantly, kinetically changing samples, such as aggregating or crystallizing samples, can be followed. However, given the small number of discrete energy transfers probed in this mode, established analysis frameworks for full spectra can break down. Presented here are new approaches to analyze measurements of diffusive dynamics recorded within fixed windows in energy transfer, and these are compared with the analysis of full spectra. The new approaches are tested by both modeled scattering functions and a comparative analysis of fixed energy window data and full spectra on well understood reference samples. This new approach can be employed successfully for kinetic studies of the dynamics focusing on the short-time apparent center-of-mass diffusion. Full Article text
ale Revealing nanoscale sorption mechanisms of gases in a highly porous silica aerogel By journals.iucr.org Published On :: 2024-08-19 Geological formations provide a promising environment for the long-term and short-term storage of gases, including carbon dioxide, hydrogen and hydrocarbons, controlled by the rock-specific small-scale pore structure. This study investigates the nanoscale structure and gas uptake in a highly porous silica aerogel (a synthetic proxy for natural rocks) using transmission electron microscopy, X-ray diffraction, and small-angle and ultra-small-angle neutron scattering with a tracer of deuterated methane (CD4) at pressures up to 1000 bar. The results show that the adsorption of CD4 in the porous silica matrix is scale dependent. The pore space of the silica aerogel is fully accessible to the invading gas, which quickly equilibrates with the external pressure and shows no condensation on the sub-nanometre scale. In the 2.5–50 nm pore size region a classical two-phase adsorption behaviour is observed. The structure of the aerogel returns to its original state after the CD4 pressure has been released. Full Article text
ale Laboratory-based 3D X-ray standing-wave analysis of nanometre-scale gratings By journals.iucr.org Published On :: 2024-08-19 The increasing structural complexity and downscaling of modern nanodevices require continuous development of structural characterization techniques that support R&D and manufacturing processes. This work explores the capability of laboratory characterization of periodic planar nanostructures using 3D X-ray standing waves as a promising method for reconstructing atomic profiles of planar nanostructures. The non-destructive nature of this metrology technique makes it highly versatile and particularly suitable for studying various types of samples. Moreover, it eliminates the need for additional sample preparation before use and can achieve sub-nanometre reconstruction resolution using widely available laboratory setups, as demonstrated on a diffractometer equipped with a microfocus X-ray tube with a copper anode. Full Article text
ale Pushing the limits of accessible length scales via a modified Porod analysis in small-angle neutron scattering on ordered systems By journals.iucr.org Published On :: 2024-08-27 Small-angle neutron scattering is a widely used technique to study large-scale structures in bulk samples. The largest accessible length scale in conventional Bragg scattering is determined by the combination of the longest available neutron wavelength and smallest resolvable scattering angle. A method is presented that circumvents this limitation and is able to extract larger length scales from the low-q power-law scattering using a modification of the well known Porod law connecting the scattered intensity of randomly distributed objects to their specific surface area. It is shown that in the special case of a highly aligned domain structure the specific surface area extracted from the modified Porod law can be used to determine specific length scales of the domain structure. The analysis method is applied to study the micrometre-sized domain structure found in the intermediate mixed state of the superconductor niobium. The analysis approach allows the range of accessible length scales to be extended from 1 µm to up to 40 µm using a conventional small-angle neutron scattering setup. Full Article text
ale Food writer Russ Parsons brings Rabe a pie (not in the face) for the Off-Ramp finale By www.scpr.org Published On :: Wed, 28 Jun 2017 13:01:07 -0700 Former LA Times food writer Russ Parsons offers John Rabe a piece of pie, in John's Mercedes; Credit: John Rabe/KPCC John Rabe | Off-Ramp®Semi-retired, former LA Times food writer Russ Parsons appeared often on Off-Ramp over the years, helping to explain the city’s communities through their food, as well as giving solid cooking advice. For the final edition of Off-Ramp, John picked up Russ at Jongewaard's Bake-N-Broil, a Long Beach institution. Parsons brought John an olallieberry pie (a cross of 'Black Logan' blackberries and youngberries), whilst the inimitable Parsons -- author of "How to Pick a Peach: The Search for Flavor from Farm to Table" and "How to Read a French Fry: And Other Stories of Intriguing Kitchen Science" -- opted for the coconut cream. Listen to the audio for John and Russ' observations on how food brings the disparate cultures of Los Angeles together, and to hear about which part of hosting Off-Ramp is as humbling for John as it is for Parsons when readers tell him they cook his food at Thanksgiving. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ale Lean Technologies raises USD 67.5 million to scale its Pay-by-Bank and Open Banking tools By thepaypers.com Published On :: Wed, 13 Nov 2024 08:10:00 +0100 Saudi Arabia-based fintech infrastructure platform Lean Technologies has raised USD 67.5 million in a Series B funding round to scale its Pay-by-Bank and Open Banking offerings. Full Article
ale Gay And Bisexual Men Are Now Allowed To Donate Blood In England, Scotland And Wales By www.scpr.org Published On :: Wed, 16 Jun 2021 02:20:11 -0700 Gay and bisexual men in England, Scotland, and Wales can now donate blood, plasma and platelets under certain circumstances without having to wait three months, the National Health Service announced this week.; Credit: Wilfredo Lee/AP Jaclyn Diaz | NPRGay and bisexual men in England, Scotland, and Wales can now donate blood, plasma and platelets under certain circumstances, the National Health Service announced this week in a momentous shift in policy for most of the U.K. Beginning Monday, gay men in sexually active, monogamous relationships for at least three months can donate for the first time. The move reverses a policy that limited donor eligibility on perceived risks of contracting HIV/AIDs and other sexually transmitted infections. The new rules come as the U.K. and other countries around the world report urgent, pandemic-induced blood supply issues. Donor eligibility will now be based on each person's individual circumstances surrounding health, travel and sexual behaviors regardless of gender, according to the NHS. Potential donors will no longer be asked if they are a man who has had sex with another man, but they will be asked about recent sexual activity. Anyone who has had the same sexual partner for the last three months can donate, the NHS said. "Patient safety is at the heart of everything we do. This change is about switching around how we assess the risk of exposure to a sexual infection, so it is more tailored to the individual," said Ella Poppitt, Chief Nurse for blood donation at NHS Blood and Transplant, in a statement. "We screen all donations for evidence of significant infections, which goes hand-in-hand with donor selection to maintain the safety of blood sent to hospitals." People who engage in anal sex with a new partner or multiple people or who have recently used PrEP or PEP (medication used to prevent HIV infection) will have to wait three months to donate - regardless of their gender. Why did the U.K. make this change? The NHS moved to alter its blood donation eligibility rules following a review by the FAIR (For the Assessment of Individualised Risk) steering group. The panel determined an individualized, gender-neutral approach to determining who can donate blood, platelets, and plasma is fairer and still maintains the safety of the U.K.'s blood supply. The findings were accepted in full by the government last December. Researchers will continue to monitor the impact of the donor selection changes for the next 12 months to determine if more changes are needed, NHS said. What is the policy in the U.S.? Despite efforts by advocates to change regulations in the U.S, the ability for gay and bisexual men to donate blood is still restricted. A ban on gay and bisexual blood donors has been in effect since the early 1980s when fears about HIV/AIDS were widespread. The Food and Drug Administration's current policy states a man who has sex with another man in the previous three months can't donate. Federal rules previously made such donors wait 12 months before giving blood, but due to low blood supplies during the pandemic the federal government changed the policy in April. The Red Cross said they are participating in a pilot study funded by the FDA using behavior-based health history questionnaires, similar to those used in the U.K. 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. Full Article
ale Assistant County Manager Dewey Harris earns international Credentialed Manager distinction. By www.catawbacountync.gov Published On :: Thu, 29 Nov 2012 16:00:00 EST 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". Full Article News Release FYI Please Choose
ale Sheriff's auction sale items are now posted online. By www.catawbacountync.gov Published On :: Mon, 21 Oct 2013 11:20:00 EST Sheriff's auction items placed for sale by the Catawba County Sheriff's Office are now posted online. Full Article News Release FYI Public Notice
ale High-Quality Education, Early Screening Are Key To Nurturing Minority Students With Special Needs or Talents By Published On :: Wed, 16 Jan 2002 06:00:00 GMT To ensure that minority students who are poorly prepared for school are not assigned to special education for that reason, educators should be required to first provide them with high-quality instruction and social support in a general education classroom before making a determination that special education is needed. Full Article
ale Raising Minimum Age to Buy Cigarettes to at Least 21 Will Reduce Smoking Prevalence and Save Lives, Says IOM By Published On :: Thu, 15 Mar 2012 05:00:00 GMT Increasing the minimum age of legal access (MLA) to tobacco products will prevent or delay initiation of tobacco use by adolescents and young adults, particularly those ages 15 to 17, and improve the health of Americans across the lifespan, says a new report from the Institute of Medicine. Full Article
ale IOM Report Identifies Key Obesity-Prevention Strategies to Scale Back Weight of the Nation By Published On :: Tue, 08 May 2012 04:00:00 GMT Americas progress in arresting its obesity epidemic has been too slow, and the condition continues to erode productivity and cause millions to suffer from potentially debilitating and deadly chronic illnesses. Full Article
ale Linda Aiken, Whose Research Revealed the Importance of Nursing in Patient Outcomes, Receives Institute of Medicine’s 2014 Lienhard Award By Published On :: Mon, 20 Oct 2014 05:00:00 GMT The Institute of Medicine today presented the Gustav O. Lienhard Award to Linda Aiken, Claire M. Fagin Leadership Professor of Nursing at the University of Pennsylvania School of Nursing, for her rigorous research demonstrating the importance of nursing care and work environments in achieving safe, effective, patient-centered, and affordable health care. Full Article
ale Climate Intervention Is Not a Replacement for Reducing Carbon Emissions - Proposed Intervention Techniques Not Ready for Wide-Scale Deployment By Published On :: Tue, 10 Feb 2015 06:00:00 GMT There is no substitute for dramatic reductions in greenhouse gas emissions to mitigate the negative consequences of climate change, a National Research Council committee concluded in a two-volume evaluation of proposed climate-intervention techniques. Full Article
ale Public Safety During Severe Weather and Other Disasters Could Be Improved With Better Alert Systems and Improved Understanding of Social and Behavioral Factors By Published On :: Wed, 01 Nov 2017 05:00:00 GMT Our ability to observe and predict severe weather events and other disasters has improved markedly over recent decades, yet this progress does not always translate into similar advances in the systems used in such circumstances to protect lives. Full Article
ale Lauren Alexander Augustine Appointed to Lead National Academies’ Gulf Research Program By Published On :: Wed, 05 Dec 2018 06:00:00 GMT Lauren Alexander Augustine has been appointed executive director of the Gulf Research Program of the National Academies of Sciences, Engineering, and Medicine. Full Article
ale U.S. Bioeconomy Is Strong, But Faces Challenges - Expanded Efforts in Coordination, Talent, Security, and Fundamental Research Are Needed By Published On :: Tue, 14 Jan 2020 05:00:00 GMT The U.S. is a clear leader in the global bioeconomy landscape, but faces challenges from decentralized leadership, inadequate talent development, cybersecurity vulnerabilities, stagnant investment in fundamental research, and international competition, according to Safeguarding the Bioeconomy, a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Statement From the Presidents of the NAS, NAE, and NAM Supporting Steps Necessary to Assess the Potential for Human Convalescent Plasma to Help Control COVID-19 By Published On :: Mon, 23 Mar 2020 04:00:00 GMT In light of the present situation in the U.S., we believe that it is essential to explore a wide range of options for treating the increasing numbers of very ill patients with COVID-19 respiratory illness. Full Article
ale Reports & Events Monthly Calendar - April 2020 By Published On :: Wed, 01 Apr 2020 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - May 2020 By Published On :: Thu, 30 Apr 2020 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - June 2020 By Published On :: Fri, 29 May 2020 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - July 2020 By Published On :: Tue, 30 Jun 2020 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - August 2020 By Published On :: Wed, 29 Jul 2020 04:00:00 GMT `“Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - September 2020 By Published On :: Fri, 28 Aug 2020 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - September 2020 By Published On :: Fri, 25 Sep 2020 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale ‘We Must Let Opportunity Meet Talent’ By Published On :: Thu, 15 Oct 2020 04:00:00 GMT John Brooks Slaughter Delivers Special Lecture on Racial Justice and Equity at 56th NAE Annual Meeting Full Article
ale Reports & Events Monthly Calendar - November 2020 By Published On :: Wed, 28 Oct 2020 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - December 2020 By Published On :: Mon, 30 Nov 2020 05:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - January 2021 By Published On :: Tue, 29 Dec 2020 05:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - February 2021 By Published On :: Thu, 28 Jan 2021 05:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - March 2021 By Published On :: Fri, 26 Feb 2021 05:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - April 2021 By Published On :: Thu, 25 Mar 2021 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - May 2021 By Published On :: Tue, 27 Apr 2021 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - June 2021 By Published On :: Fri, 28 May 2021 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - July 2021 By Published On :: Fri, 25 Jun 2021 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - August 2021 By Published On :: Mon, 26 Jul 2021 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Direct Financial Support, Access to Male-Dominated Jobs, and Investing in Child Care Can Increase Women’s Participation in Post-COVID Workforce, Says New Expert Consultation By Published On :: Thu, 12 Aug 2021 04:00:00 GMT Since the start of the pandemic, 2.5 million women have departed from the job market. A new rapid expert consultation says direct financial support, greater access to male-dominated jobs, and investing in child care can encourage women to return to the post-COVID workforce. Full Article
ale Reports & Events Monthly Calendar - September 2021 By Published On :: Mon, 23 Aug 2021 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - October 2021 By Published On :: Mon, 27 Sep 2021 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Guidance for Measuring Sexual Harassment Prevalence Using Campus Climate Surveys By Published On :: Mon, 04 Oct 2021 04:00:00 GMT This Guidance Document is a product of the National Academies’ Action Collaborative on Preventing Sexual Harassment in Higher Education, which presents information and identifies guidance based on existing research literature. Full Article
ale Reports & Events Monthly Calendar - November 2021 By Published On :: Fri, 29 Oct 2021 04:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - December 2021 By Published On :: Tue, 30 Nov 2021 05:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - January 2022 By Published On :: Mon, 03 Jan 2022 05:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Reports & Events Monthly Calendar - February 2022 By Published On :: Wed, 26 Jan 2022 05:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale Expanding the Pool of Tech Talent By Published On :: Fri, 25 Feb 2022 05:00:00 GMT A recent report — and the subject of an upcoming symposium — examines what’s driving the underrepresentation of women of color in tech education and careers, and how universities and tech companies can help remedy it. Full Article
ale Reports & Events Monthly Calendar - March 2022 By Published On :: Mon, 28 Feb 2022 05:00:00 GMT “Reports & Events” is a monthly tip sheet for the news media that highlights selected meetings of interest and reports from the National Academies of Sciences, Engineering, and Medicine. Full Article
ale GRP Executive Director Lauren Alexander Augustine Testifies on Climate and Community Resilience By Published On :: Wed, 16 Mar 2022 04:00:00 GMT Lauren Alexander Augustine, executive director of the National Academies’ Gulf Research Program, discussed community resilience strategies before the House Select Committee on the Climate Crisis at a March 9 hearing. Full Article