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At least 811 records · Page 45

Photocatalytic Biocidal Coatings Featuring Zr 6 Ti 4 -Based Metal–Organic Frameworks

The world is currently suffering socially, economically, and politically from the recent pandemic outbreak due to the Coronavirus Disease 2019 (COVID-19), and those in hospitals, schools, and elderly nursing homes face enhanced threats. Healthcare textiles, such as masks and medical staff gowns, are susceptible to contamination of various pathogenic microorganisms, including bacteria and viruses. Here, metal–organic frameworks (MOFs) can potentially address these challenges due to their tunable reactivity and ability to be incorporated as porous coatings on textile materials. Here, we report how incorporating titanium into the zirconium-pyrene-based MOF NU-1000, denoted as NU-1012, generates a highly reactive biocidal photocatalyst. This MOF features a rare ligand migration phenomenon, and both the Ti/Zr center and the pyrene linker act synergistically as dual active centers and widen the absorption band for this material that results in enhanced reactive oxygen species (ROS) generation upon visible light irradiation. Additionally, we found the ligand migration process is generally applicable to other csq topology Zr-MOFs. Importantly, NU-1012 can be easily incorporated onto cotton textile cloths as a coating, and the resulting composite material demonstrates fast and potent biocidal activity against Gram-negative bacteria (E. coli), Gram-positive bacteria (S. epidermidis), and T7 bacteriophage virus with up to a 7-log (99.99999%) reduction within one hour under simulated daylight.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics

Understanding specific ion effects on proteins remains a considerable challenge. N-methylacetamide serves as a useful proxy for the protein backbone that can be well characterized both experimentally and theoretically. The spectroscopic signatures in the amide I band reflecting the strength of the interaction of alkali cations and alkali earth dications with the carbonyl group remain difficult to assign and controversial to interpret. Herein, we directly compute the IR shifts corresponding to the binding of either sodium or calcium to aqueous N-methylacetamide using ab initio molecular dynamics simulations. We show that the two cations interact with aqueous N-methylacetamide with different affinities and in different geometries. Since sodium exhibits a weak interaction with the carbonyl group, the resulting amide I band is similar to an unperturbed carbonyl group undergoing aqueous solvation. In contrast, the stronger calcium binding results in a clear IR shift with respect to N-methylacetamide in pure water. Support from the Czech Ministry of Education (grant LH12001) is gratefully acknowledged. EP thanks the International Max-Planck Research School for support and the Alternative Sponsored Fellowship program at Pacific Northwest National Laboratory (PNNL). PJ acknowledges the Praemium Academie award from the Academy of Sciences. Calculations of the free energy profiles were made possible through generous allocation of computer time from the North-German Supercomputing Alliance (HLRN). Calculations of vibrational spectra were performed in part using the computational resources in the National Energy Research Supercomputing Center (NERSC) at Lawrence Berkeley National Laboratory. This work was supported by National Science Foundation grant CHE-0431312. CJM is supported by the U.S. Department of Energy`s (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. PNNL is operated for the Department of Energy by Battelle. MDB is grateful for the support of the Linus Pauling Distinguished Postdoctoral Fellowship Program at PNNL.

calcium↗

New Paths in Geoengineering

National Center for Atmospheric Research Fifth Annual Geoengineering Model Intercomparison Workshop and Early Career Summer School; Boulder, Colorado, 20–24 July 2015

54 ENVIRONMENTAL SCIENCES↗

Who is benefiting from the dramatic decline in U.S. cancer mortality? Place-based evidence of disparities in rates of improvement

After decades of increasing cancer mortality, U.S. rates declined from 1991 to 2019, a 32% decrease. we investigated rates of cancer mortality improvement across 2954 counties and selected characteristics associated with mortality improvements. Data was 21,381,009 county-level neoplasm deaths gleaned from death certificates via CDC WONDER. Analytical techniques included GIS and Moran’s I, OLS, GWR models, and trend comparisons. Counties with the greatest improvement (reduction) in cancer mortality tended to be coastal, higher-income, metropolitan locations. OLS model (R 2 = 0.65) indicated that greatest improvements were observed in counties with higher initial mortality ($\beta =.32$) closely followed by percent urban ($\beta =.31$) and median household income ($\beta =.16$). Whereas percent Black residents ($\beta =-.06$), and percent with education beyond high school ($\beta =-.10$) was less associated on outcomes. Highest income counties were the first to experience improvement in cancer mortality, the highest rates of mortality decline, and the greatest reduction in excess deaths. Even though there was significant improvement in cancer mortality nationally, there were variations in the degree of improvement linked to county location, income, and urbanisation. These results underlie the need to expand place-based initiatives designed to advance cancer health and more equitable improvements in cancer mortality outcomes.

developing world↗

Effect of specific non-pharmaceutical intervention policies on SARS-CoV-2 transmission in the counties of the United States

Non-pharmaceutical interventions (NPIs) remain the only widely available tool for controlling the ongoing SARS-CoV-2 pandemic. We estimated weekly values of the effective basic reproductive number (R eff ) using a mechanistic metapopulation model and associated these with county-level characteristics and NPIs in the United States (US). Interventions that included school and leisure activities closure and nursing home visiting bans were all associated with a median R eff below 1 when combined with either stay at home orders (median R eff 0.97, 95% confidence interval (CI) 0.58–1.39) or face masks (median R eff 0.97, 95% CI 0.58–1.39). While direct causal effects of interventions remain unclear, our results suggest that relaxation of some NPIs will need to be counterbalanced by continuation and/or implementation of others.

60 APPLIED LIFE SCIENCES↗

Design of COVID-19 staged alert systems to ensure healthcare capacity with minimal closures

Community mitigation strategies to combat COVID-19, ranging from healthy hygiene to shelter-in-place orders, exact substantial socioeconomic costs. Judicious implementation and relaxation of restrictions amplify their public health benefits while reducing costs. We derive optimal strategies for toggling between mitigation stages using daily COVID-19 hospital admissions. With public compliance, the policy triggers ensure adequate intensive care unit capacity with high probability while minimizing the duration of strict mitigation measures. In comparison, we show that other sensible COVID-19 staging policies, including France’s ICU-based thresholds and a widely adopted indicator for reopening schools and businesses, require overly restrictive measures or trigger strict stages too late to avert catastrophic surges. As proof-of-concept, we describe the optimization and maintenance of the staged alert system that has guided COVID-19 policy in a large US city (Austin, Texas) since May 2020. As cities worldwide face future pandemic waves, our findings provide a robust strategy for tracking COVID-19 hospital admissions as an early indicator of hospital surges and enacting staged measures to ensure integrity of the health system, safety of the health workforce, and public confidence.

60 APPLIED LIFE SCIENCES↗

Author Correction: A genomic catalog of Earth’s microbiomes

In the version of this article initially published, four people were missing from the alphabetical list of IMG/M Data Consortium members: Lauren V. Alteio of the Centre for Microbiology and Environmental Systems Science, University of Vienna, Vienna, Austria; Jeffrey L. Blanchard of the Biology Department, University of Massachusetts Amherst, Amherst, MA, USA; Kristen M. DeAngelis of the Department of Microbiology, University of Massachusetts Amherst, Amherst, MA, USA; and William Rodriguez-Reillo of the Research Computing Division, Harvard Medical School, Boston, MA, USA. The error has been corrected in the PDF and HTML versions of the article.

59 BASIC BIOLOGICAL SCIENCES↗

Iraq/Afghanistan war lung injury reflects burn pits exposure

This descriptive case series retrospectively reviewed medical records from thirty-one previously healthy, war-fighting veterans who self-reported exposure to airborne hazards while serving in Iraq and Afghanistan between 2003 and the present. They all noted new-onset dyspnea, which began during deployment or as a military contractor. Twenty-one subjects underwent non-invasive pulmonary diagnostic testing, including maximum expiratory pressure (MEP) and impulse oscillometry (IOS). In addition, five soldiers received a lung biopsy; tissue results were compared to a previously published sample from a soldier in our Iraq Afghanistan War Lung Injury database and others in our database with similar exposures, including burn pits. We also reviewed civilian control samples (5) from the Stony Brook University database. Military personnel were referred to our International Center of Excellence in Deployment Health and Medical Geosciences, Donald and Barbara Zucker School of Medicine at Hofstra/Northwell under the auspices of Northwell IRB: 17-0140-FIMR Feinstein Institution for Medical Research “Clinicopathologic characteristics of Iraq Afghanistan War Lung Injury.” We retrospectively examined medical records, including exposure data, radiologic imaging, and non-invasive pulmonary function testing (MGC Diagnostic Platinum Elite Plethysmograph) using the American Thoracic Society (ATS) standard interpretation based on Morgan et al., and for a limited cohort, biopsy data. Lung tissue, when available, was examined for carbonaceous particles, polycyclic aromatic hydrocarbons (Raman spectroscopy), metals, titanium connected to iron (Brookhaven National Laboratory, National Synchrotron Light Source II, Beamline 5-ID), oxidized metals, combustion temperature, inflammatory cell accumulation and fibrosis, neutrophil extracellular traps, Sirius red, Prussian Blue, as well as polarizable crystals/particulate matter/dust. Among twenty-one previously healthy, deployable soldiers with non-invasive pulmonary diagnostic tests, post-deployment, all had severely decreased MEP values, averaging 42% predicted. These same patients concurrently demonstrated abnormal airways reactance (X5Hz) and peripheral/distal airways resistance (D5–D20%) via IOS, averaging – 1369% and 23% predicted, respectively. These tests support the concept of airways hyperresponsiveness and distal airways narrowing, respectively. Among the five soldiers biopsied, all had constrictive bronchiolitis. We detected the presence of polycyclic aromatic hydrocarbons (PAH)—which are products of incomplete combustion—in the lung tissue of all five warfighters. All also had detectable titanium and iron in the lungs. Metals were all oxidized, supporting the concept of inhaling burned metals. Combustion temperature was consistent with that of burned petrol rather than higher temperatures noted with cigarettes. All were nonsmokers. Neutrophil extracellular traps were reported in two biopsies. Compared to our prior biopsies in our Middle East deployment database, these histopathologic results are similar, since all database biopsies have constrictive bronchiolitis, one has lung fibrosis with titanium bound to iron in fixed mathematical ratios of 1:7 and demonstrated polarizable crystals. These results, particularly constrictive bronchiolitis and polarizable crystals, support the prior data of King et al. (N. Engl. J. Med. 365:222–230, 2011) Soldiers in this cohort deployed to Iraq and Afghanistan since 2003, with exposure to airborne hazards, including sandstorms, burn pits, and improvised explosive devices, are at high risk for developing chronic clinical respiratory problems, including: (1) reduction in respiratory muscle strength; (2) airways hyperresponsiveness; and (3) distal airway narrowing, which may be associated with histopathologic evidence of lung damage, reflecting inhalation of burned particles from burn pits along with particulate matter/dust. Non-invasive pulmonary diagnostic tests are a predictor of burn pit-induced lung injury

36 MATERIALS SCIENCE↗

Multiple resource use efficiency (mRUE): A new concept for ecosystem production

The resource-driven concept, which is an important school for investigating ecosystem production, has been applied for decades. However, the regulatory mechanisms of production by multiple resources remain unclear. We formulated a new algorithm model that integrates multiple resource uses to study ecosystem production and tested its applications on a water-availability gradient in semi-arid grassland. The result of our experiment showed that changes in water availability significantly affected the resources of light and nitrogen, and altered the relationships among multiple resource absorption rate (ε), multiple resource use efficiency (mRUE), and available resource (R avail ). The increased water availability suppressed ecosystem mRUE (i.e., “declining marginal returns”); The changes in mRUE had a negative effect on ε (i.e., “inverse feedback”). These two processes jointly regulated that the stimulated single resource availability would promote ecosystem production rather than suppress it, even when mRUE was reduced. This study illustrated the use of the mRUE model in exploring the coherent relationships among the key parameters on regulating the ecosystem production for future modeling, and evaluated the sensitivity of this conceptual model under different dataset properties. Furthermore, this model needs extensive validation by the ecological community before it can extrapolate this method to other ecosystems in the future.

54 ENVIRONMENTAL SCIENCES↗

Involving the new generations in Fermilab endeavors

Since 1984 the Italian groups of the Istituto Nazionale di Fisica Nucleare (INFN) and Italian Universities, collaborating with the DOE laboratory of Fermilab (US) have been running a two-month summer training program for Italian university students. While in the first year the program involved only four physics students of the University of Pisa, in the following years it was extended to engineering students. This extension was very successful and the engineering students have been since then extremely well accepted by the Fermilab Technical, Accelerator, and Scientific Computing Division groups. Over the many years of its existence, this program has proven to be the most effective way to engage new students in Fermilab endeavors. Many students have extended their collaboration with Fermilab with their Master’s Thesis and PhD. Since 2004 the program has been supported in part by DOE in the frame of an exchange agreement with INFN. Over its almost 40 years of history, the program has grown in scope and size and has involved more than 550 Italian students from more than 20 Italian Universities, Several Institutes of Research, including ASI and INAF in Italy, and the ISSNAF Foundation in the US, have provided additional financial support. Since the program does not exclude appropriately selected non-Italian students, a handful of students from European and non-European Universities were also accepted over the years. Each intern is supervised by a Fermilab Mentor responsible for performing the training program. Training programs spanned from Tevatron, CMS, Muon (g-2), Mu2e, and Short Baseline Neutrino Experiments and DUNE design and experimental data analysis, development of particle detectors (silicon trackers, calorimeters, drift chambers, neutrino and dark matter detectors), design of electronic and accelerator components, development of infrastructures and software for exascale data handling, research on superconductive elements and on accelerating cavities, and theory of particle accelerators. Since 2010, within an extended program supported by the Italian Space Agency and the Italian National Institute of Astrophysics, a total of 30 students in physics, astrophysics, and engineering have been hosted for two months in the summer at US space science Research Institutes and laboratories. In 2015 the University of Pisa included these programs within its educational programs. Accordingly, Summer School students are enrolled at the University of Pisa for the duration of the internship and are identified and ensured as such. At the end of the internship, the students are required to write summary reports on their achievements. After positive evaluation by a University Examining Board, interns are acknowledged credits for their Diploma Supplement. The program was canceled in 2020 and 2021 due to the pandemic but restarted successfully in 2022. We believe this program can be taken as a model and easily adopted by interested institutions.

99 GENERAL AND MISCELLANEOUS↗

Nuclear physics and cosmology

There are important aspects of Cosmology, the scientific study of the large scale properties of the universe as a whole, for which nuclear physics can provide insights. Here, we will focus on Standard Big-Bang Nucleosynthesis and we refer to the previous edition of the School [1] for the aspects concerning the variations of constants in nuclear cosmo-physics.

79 ASTRONOMY AND ASTROPHYSICS↗

Mechanical characterization of Cu-Zn wire electrode base used in EDM and study of influence of the process of machining on its properties

This work is part of a Research National project (PNR) carried out by the group of research of the engineering and material sciences laboratory of the polytechnic national school at Algiers in collaboration with company BCR, which relates to “the characterization of the wire intended for the EDM of matrices metal. The goal of this work is to bring metallographic explanations on the wire electrode used by the machine ROBOFIL 290P, mechanically characterized this wire as of knowing of advantage about the process of its manufacturing (wiredrawing, .) The methods of studies used are it micro Vickers pyramid hardness, the tensile test, optical microscopy and scan electronic microscopy SEM.

36 MATERIALS SCIENCE↗

System overview and characterization of a high-temperature, high-pressure, entrained-flow, laboratory-scale gasifier

The high-temperature, high-pressure, entrained-flow, laboratory-scale gasifier at the Colorado School of Mines, including the primary systems and the supporting subsystems, is presented. The gasifier is capable of operating at temperatures and pressures up to 1650 °C and 40 bar. The heated section of the reactor column has an inner diameter of 50 mm and is 1 m long. Solid organic feedstock (e.g., coal, biomass, and solid waste) is ground into batches with particle sizes ranging from 25 to 90 μm and is delivered to the reactor at feed rates of 2–20 g/min. The maximum useful power output of the syngas is 10 kW, with a nominal power output of 1.2 kW. The initial characterization and demonstration results of the gasifier system with a coal feedstock are also reported.

09 BIOMASS FUELS↗

Construction and measurements of an improved vacuum-swing-adsorption radon-mitigation system

In order to reduce backgrounds from radon-daughter plate-out onto detector surfaces, an ultra-low-radon cleanroom is being commissioned at the South Dakota School of Mines and Technology. An improved vacuum-swing-adsorption radon mitigation system and cleanroom build upon a previous design implemented at Syracuse University that achieved radon levels of ∼0.2 Bq m{sup −3}. This improved system will employ a better pump and larger carbon beds feeding a redesigned cleanroom with an internal HVAC unit and aged water for humidification. With the rebuilt (original) radon mitigation system, the new low-radon cleanroom has already achieved a > 300× reduction from an input activity of 58.6 ± 0.7 Bq m{sup −3} to a cleanroom activity of 0.13 ± 0.06 Bq m{sup −3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Good practices to promote gender equality in science and physics in Tunisia

Women represent 47% of researchers in Tunisia but only 12% of senior faculty in scientific fields. This paper describes three areas of activity to promote greater participation of women. The Women in Science group at the University of Tunis has, among other activities, organized an annual conference on women in science since 2005. The COACh project is a multinational effort across northern Africa to promote professional networking and mentoring through partnerships with women in the United States. Finally, an immersive summer school was organized to introduce master’s level women to projects and careers in optics and photonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A beachhead on the island of stability

Recent experiments to synthesize the heaviest elements have dramatically expanded the periodic table and the Segrè chart of nuclides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

To the memory of Nikolai Aleksandrovich Borisevich

Invaluable is the contribution of academician Borisevich to the development of optics, spectroscopy and their applications. He is the author of scientific discoveries and more than 600 scientific papers. For outstanding scientific achievements Nikolai Aleksandrovich was awarded the Lenin Prize, State Prize of the USSR and the Republic of Belarus. His scientific school gave a start in life to more than 30 candidates of science, 12 doctors, including 4 members of the National Academy of Sciences of Belarus. (obituary)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Equity for women and underrepresented minorities in STEM: Graduate experiences and career plans in chemistry

Significance On June 10, 2020, as part of the Black Lives Matter movement, scientists in the United States and throughout the world paused to consider how systematic racism affects the scientific enterprise. As a result, many academic departments are now assessing policies and practices that may contribute to this situation. This paper provides evidence of the nature of inequities related to race–ethnicity and gender in graduate school experiences and career plans of PhD students in one science, technology, engineering, and math (STEM) discipline, chemistry. The results can help promote understanding of the problems and guide efforts toward equity within STEM and, potentially, other academic areas. In turn, these changes can strengthen the scientific enterprise and the well-being of society.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗