SEARCH · Search NASA

Results for “PHOSPHORIC ACID”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Reformulated Red mud: a robust catalyst for in situ catalytic pyrolysis of biomass

Biomass feedstocks contain inorganic compounds generally classified as ash. The ash consists of compounds of potassium, calcium, magnesium, silicon, phosphorous and other elements. These elements have been reported to influence both the pyrolysis reactions as well as destabilizing the pyrolysis oils during storage. The inorganic elements have also been reported to deposit on catalyst surfaces during in situ catalytic pyrolysis leading to the eventual deactivation of acidic catalysts such as zeolites. The deposition of inorganic elements and their effect on formulated red mud (FRM) catalyst during in situ catalytic pyrolysis of pinyon juniper wood was investigated. The inorganic elements were measured for the fresh, coked, and regenerated catalysts. The BET specific surface area of the FRM catalyst decreased from 76 m2/g for the fresh catalyst to 53 m2/g for the stable regenerated catalyst. After three regenerations, the BET specific surface area stabilized at 53 m2/g and remained constant after all other regenerations. Potassium, calcium, magnesium, and phosphorous were deposited on the catalyst. Potassium deposition was linear with the number of regenerations while magnesium and calcium depositions were initially rapid but leveled off after three regenerations of the catalyst. Phosphorous deposition was almost linear, but the data were more scattered compared to potassium. The potassium deposition was attributed to physical phenomenon whereas calcium and magnesium depositions were more akin to chemical reactions related to the loss of BET surface area of the catalyst. The deposition of these elements on the surface of the catalyst did not deactivate it. After each catalyst regeneration, the oil yield was not significantly affected and the oil oxygen content and viscosity decreased slightly. This clearly showed that formulated red mud is a robust catalyst suitable for in situ catalytic fast pyrolysis of biomass.

Agblevor, Foster↗

DOE OSTI2017

Conjugated linoleic acid prevents age-induced bone loss in mice by regulating both osteoblastogenesis and adipogenesis

Osteoporosis (OP) can increase the risk of bone fracture and other complications, which is a major clinical problem. Previous researches have revealed that conjugated linoleic acid (CLA) can promote the bone formation. But the mechanisms are not clear. Thus, we tested the hypothesis that CLA acts on bone formation might be via mTOR Complex1 (mTORC 1) pathway by in vitro and vivo assays. We studied the effect of CLA mix on MC3T3-E1 pre-osteoblasts differentiation into osteoblasts, and bone formation under osteoporotic conditions. At the same time, 3T3-L1 pre-adipocyte with the same CLA mix concentration gradient for 8 days with adipogenic differentiation medium. We found that Alkaline phosphatase (ALP), runt-related transcription factor 2 (RUNX2) and osteocalcin (OCN) expressions of pre-osteoblasts were up-regulated. Moreover in presence of CLA, peroxisome proliferators-activated receptor γ(PPARγ) and CCAAT/enhancer-binding protein (C/EBPα) were down-regulated. Osteoporosis mice bone parameters in the distal femoral meraphysis were significantly increased compared with placebo mice. Furthermore, the phosphor-S6 (P-S6) was suppressed and phosphor-AKT (P-AKT) was up-regulated. Consistently, CLA can stimulate differentiation of osteoblasts and inhibited pre-adipocytes differentiated into adipocytes via AKT/mTORC1 signal pathway. Overall CLA thus be a suitable candidate for the treatment of patients with postmenopausal osteoporosis and obesity. - Highlights: • CLA stimulates differentiation of osteoblasts through ALP, RUNX2 and OCN up-regulation. • CLA inhibites pre-adipocytes differentiated into adipocytes through pPPARγ and C/EBPα down-regulation. • CLA stimulates differentiation of osteoblasts and inhibited pre-adipocytes differentiated into adipocytes via AKT/mTORC1 signal pathway. • CLA promotes bone formation which might be via mTOR Complex1 (mTORC1) pathway in vitro and in vivo.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

A Study of autunite dissolution in the presence of Shewanella oneidensis MR1 and different bicarbonate concentrations - 15736

Remediation of uranium at Hanford Site 300 area via tripolyphosphate injections could sequester uranium (VI) in an insoluble form, creating different types of uranium phosphate minerals like autunite. The factors that influence the dissolution of such minerals come into question. Bacteria can play a significant role in the dissolution of minerals and the formation of secondary minerals. Formed autunite, as a phosphorus-containing mineral, can attract bacteria to liberate phosphorus, meeting their nutrient requirements and causing uranium release back into the environment. Previous studies have been conducted under aerobic conditions. This research was extended to investigate the stability of the autunite mineral under anaerobic conditions pertaining to the Hanford Site, and to study the effect of facultative anaerobic bacteria on the uranium (VI) release from autunite. Objectives: - Evaluate bacterial interactions with uranium (VI) by focusing on facultative anaerobic bacteria, Shewanella Oneidensis MR1. - Study the effect of bacteria on the dissolution of the uranyl phosphate solid phases created as a result of sodium tripolyphosphate injections into the subsurface at the Hanford 300 Area. - Evaluate the role of anaerobic bacteria as one of the factors affecting the outcome of environmental remediation. Experimental Approach: - 16 crimp-sealed bottles were prepared with 50 ml of media solution and 90 mg (4.4 mM of uranium VI) Ca-autunite mineral obtained from Hanford site. Bottles were inoculated with Shewanella Oneidensis MR1 strains when autunite was equilibrated with the media solutions. Bacteria was obtained from Pacific Northwestern National Laboratory (PNNL). - Solution media preparation: 20 mM NaHepes buffer: pH=7, 10 mM Lactate plus bicarbonate in four concentrations (0, 3, 5 and 10 of KHCO{sub 3}) and a bacteria-free control. Samples were taken from the supernatant solutions of the experimental and control bottles. Wet and dry digestion was performed until a white solid residue was acquired. Dilution was made on solid samples for KPA analysis to determine concentration of U (VI) as function of time. The results suggests that in the absence of HCO{sub 3}{sup -} there was a decrease in the of uranium (VI) concentration due to metal reducing bacteria Shewanella Oneidensis MR1, but for higher concentrations of HCO{sub 3}{sup -}, there is no significant difference in uranium (VI) reduction before and after inoculation with bacteria. - Although bottles were sealed, there is an hypothesis that it was oxygen restricted but not strictly performed under anaerobic conditions. For that matter there is a reason to repeat the experiment using the glove box to understand the uranium (VI) reduction mechanism and behavior of bacteria with oxic/anoxic interfaces. Conclusions: - Higher bicarbonate concentrations might interfere with uranium (VI) reduction by anaerobic bacteria. - It is necessary to reduce time of sampling before the inoculation and prolong sampling time after inoculation. - It might be necessary to increase concentration of lactate. Future Work: - Conduct experiment in strictly anaerobic conditions by using the glove box and evaluate if further reduction of uranium (VI) is obtained in the presence of carbonates (HCO{sub 3}{sup -}). - Finalize analysis of calcium and phosphorous via ICP instrument.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Atomic layer deposition of ultrathin Cu{sub 2}O and subsequent reduction to Cu studied by in situ x-ray photoelectron spectroscopy

The growth of ultrathin (<5 nm) Ru-doped Cu{sub 2}O films deposited on SiO{sub 2} by atomic layer deposition (ALD) and Cu films by subsequent reduction of the Cu{sub 2}O using HCO{sub 2}H or CO is reported. Ru-doped Cu{sub 2}O has been deposited by a mixture of 16: 99 mol. % of [({sup n}Bu{sub 3}P){sub 2}Cu(acac)] as Cu precursor and 17: 1 mol. % of [Ru(η{sup 5}-C{sub 7}H{sub 11})(η{sup 5}-C{sub 5}H{sub 4}SiMe{sub 3})] as Ru precursor. The catalytic amount of Ru precursor was to support low temperature reduction of Cu{sub 2}O to metallic Cu by formic acid (HCO{sub 2}H) on arbitrary substrate. In situ x-ray photoelectron spectroscopy investigations of the Cu{sub 2}O ALD film indicated nearly 1 at. % of carbon contamination and a phosphorous contamination below the detection limit after sputter cleaning. Systematic investigations of the reduction of Ru-doped Cu{sub 2}O to metallic Cu by HCO{sub 2}H or CO as reducing agents are described. Following the ALD of 3.0 nm Cu{sub 2}O, the ultrathin films are reduced between 100 and 160 °C. The use of HCO{sub 2}H at 110 °C enabled the reduction of around 90% Cu{sub 2}O. HCO{sub 2}H is found to be very effective in the removal of oxygen from Ru-doped Cu{sub 2}O films with 2.5–4.7 nm thickness. In contrast, CO was effective for the removal of oxygen from the Cu{sub 2}O films only below 3.0 nm at 145 °C. Root mean square surface roughness of 0.4 ± 0.1 nm was observed from atomic force microscopy (AFM) investigations after the ALD of Cu{sub 2}O, followed by the subsequent reduction of 3.0 nm Cu{sub 2}O using either HCO{sub 2}H at 110 °C or CO at 145 °C on SiO{sub 2}. Furthermore, ex situ low energy ion scattering and AFM investigations confirmed that the Cu{sub 2}O film after ALD and Cu films after subsequent reduction was continuous on the SiO{sub 2} substrate.

42 ENGINEERING↗

DOE OSTI2019

Starch:Pectin Acidic Sachets Development for Hydroxyapatite Nanoparticles Storage to Improve Phosphorus Release

The importance of fertilizers in boosting crop production has motivated the development of novel high-performance systems capable of improving the phosphorus release in the soil. For instance, methods capable of increasing the surface area of fertilizer particles and promoting the solubilization of low-solubility compounds, including phosphates, are highly pursued. This study was aimed at synthesizing hydroxyapatite nanoparticles and investigating their solubility in relation to crystallinity, size, and morphology for phosphorous fertilizer applications. To improve the phosphate ions release, the hydroxyapatite nanoparticles were storage in biodegradable sachets composed of thermoplastic starch/pectin blends with different polymer ratios. The results showed that the smallest and less crystalline hydroxyapatite nanoparticles presented the highest solubility. After storage in polymeric thermoplastic starch:pectin sachets, solubility for all samples was greatly improved, enhancing the phosphorus release due to pH decrease, independent on the nanoparticle size, shape, and crystallinity. The results highlight that the use of acidic sachets is a valuable approach for enhancing phosphorus and other macronutrients release from fertilizers with basic surface properties, aiming at increasing agricultural crop productivity. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2014

The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts

A series of [Rh(PCH2XRCH2P)2]+ complexes were prepared to investigate second and outer coordination sphere effects on CO2 hydrogenation catalysis, where X is CH2 (dppp) or X-R is N-CH3, N-CH2COOH (glycine), N-CH2COOCH3 (Gly-OMe) or N-CH2C(O)N-CH(CH3)COOCH3 (GlyAla-OMe). All of these modified complexes were active for CO2 reduction to formate, with the N-CH3 derivative offering an eight-fold enhancement over dppp, which is consistent with decreased electron density around the phosphorous (and corresponding increase in electron density around the metal) observed in the 31P NMR spectrum. Despite the increase in rate with the addition of the pendant nitrogen, the addition of electron withdrawing amino acids and dipeptides to the amine resulted in complexes with reductions in rate of one to two orders of magnitude, most consistent with a change in pKa of the pendant amine resulting in lower activity. Collectively, the data suggests multiple contributions of the pendant amine in this catalytic system. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for the DOE by Battelle. A portion of this research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

bioinspired↗

DOE OSTI2016

High-Performance Blue-Excitable Yellow Phosphor Obtained from an Activated Solvochromic Bismuth-Fluorophore Metal–Organic Framework

Here, we report the synthesis, structure, and photoluminescence properties of a new bismuth based luminescent metal-organic framework (LMOF). The framework is comprised of a 9-coordinated Bi 3+ building unit and 4', 4''', 4''''', 4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis([1,1'-biphenyl]-4-carboxylic acid) (H 4 tcbpe) organic linker, which has strong yellow aggregation induced emission (AIE). The structure can be viewed as two interpenetrated 4,4-anionic nets that are stabilized by K + ions forming one-dimensional helical inorganic chains by connecting bismuth nodes through shared oxygen bonds. The as-made LMOF has a bluish emission centered at 459 nm with an internal quantum yield of 57% when excited at 360 nm. The emission properties of the LMOF were found to be highly solvochromic with respect to DMF. Upon partial solvent removal, the framework undergoes significant red-shifting to a greenish emission centered at 500 nm. Complete removal of DMF results in additional red-shifting fluorescence coupled with structural changes. The resulting material has strong blue-excitable (455 nm) yellow emission centered at 553 nm, with a quantum yield of 74%, which is maintained after heating in air for 5 days at 90°C. This is the second highest quantum yield value for blue-excited yellow emission among all reported LMOFs.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Characterization and recovery of rare earth elements and other critical metals (Co, Cr, Li, Mn, Sr, and V) from the calcination products of a coal refuse sample

Here, the impacts of calcination on the leaching recovery of rare earth elements (REEs) and other critical metals from a Baker seam coal refuse material were investigated. Acid leaching test results showed that leaching recovery of the REEs, especially the light REEs, was increased significantly from around 24% to 80–90% after calcination under 600–750 °C for two hours. By considering the major element leaching kinetics and the mineralogical changes of the dominant minerals caused by calcination, two mechanisms were proposed for the improved leaching performance: (1) decomposition of difficult-to-dissolve REE-bearing minerals into soluble forms; and (2) liberation of REE-bearing minerals encapsulated in clays after calcination due to the dehydration and disintegration of the layered clay structure. Sequential chemical extraction tests showed that a significant fraction (around 75%) of the REEs in the raw material were present in an insoluble form. After calcination under proper temperatures (600–800 °C), the majority of the insoluble light REEs (LREEs) were converted into soluble forms. Changes in the modes of occurrence of the LREEs and phosphorous based on leaching rate and sequential leaching correlated well as a function of the calcination temperature. This finding in addition to SEM-EDX results tends to indicate the potential that the LREEs occur primarily as rare earth phosphates such as monazite in the untreated coal refuse material. The acid leaching and sequential chemical extraction results show that co-extraction of REEs and other critical metals such as Co, Mn, and Li is possible using a calcination-acid leaching procedure.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

High Nitrogen and Phosphorous Acquisition by Belowground Parts of Caulerpa prolifera (Chlorophyta) Contribute to the Species' Rapid Spread in Ria Formosa Lagoon, Southern Portugal

Despite worldwide proliferation of the genus Caulerpa and subsequent effects on benthic communities, little is known about the nutritional physiology of the Caulerpales. Here, we investigated the uptake rates of ammonium, nitrate, amino acids, and phosphate through the fronds and rhizoids + stolon, the internal translocation of nitrogen, and developed a nitrogen budget for the rapidly spreading Caulerpa prolifera in Ria Formosa lagoon, southern Portugal. Caulerpa prolifera acquired nutrients by both aboveground and belowground parts at similar rates, except nitrate, for which fronds showed 2‐fold higher uptake rates. Ammonium was the preferential nitrogen source (81% of the total nitrogen acquisition), and amino acids, which accounted for a significant fraction of total N acquisition (19%), were taken up at faster rates than nitrate. Basipetal translocation of 15 N incorporated as ammonium was nearly 3‐fold higher than acropetal translocation, whereas 15 N translocation as nitrate and amino acids was smaller but equal in either direction. The estimated total nitrogen acquisition by C. prolifera was 689 μmol · m −2 · h −1 , whereas the total nitrogen requirement for growth was 672 μmol · m −2 · h −1 . The uptake of ammonium and amino acids by belowground parts accounted for the larger fraction of the total nitrogen acquisition of C. prolifera and is sufficient to satisfy the species nitrogen requirements for growth. This may be one reason explaining the fast spreading of the seaweed in the bare sediments of Ria Formosa where it does not have any macrophyte competitors and the concentration of nutrients is high.

Alexandre, Ana↗

DOE OSTI2018

Aberrant endoplasmic reticulum stress mediates coronary artery spasm through regulating MLCK/MLC2 pathway

Coronary artery spasm (CAS) is a pathophysiological phenomenon that may cause myocardial infarction and lead to circulatory collapse and death. Aberrant endoplasmic reticulum (ER) stress causes accumulation of misfolding proteins and has been reported to be involved in a variety of vascular diseases. The present study investigated the role of ER stress in the development of CAS and explored the possible molecular mechanisms. Initially, it was found that ER stress markers were elevated in response to drug-induced vascular smooth muscle cells (VSMCs) contraction. Pharmacologic activation of ER stress using Tunicamycin (Tm) persistently induced CAS and significantly promoted Pituitrin-induced CAS in mice as well as in a collagen gel contraction assay. On the contrary, pharmacologic inhibition of ER stress using 4-phenylacetic acid (4-PBA) completely blunted Pituitrin-induced CAS development in mice. Moreover, during the drug-induced VSMCs contraction, expression of ER stress markers were increased in parallel to those of myosin light chain kinase (MLCK) and phosphor-MLC2 (p-MLC2, at Ser19). After inhibiting MLCK activity by using its specific inhibitor ML-7, the ER stress activator Tm failed to activate the MLCK/MLC2 pathway and could neither trigger CAS in mice nor induce VSMCs contraction in vitro. Our results suggested that aberrant ER stress mediated CAS via regulating the MLCK/MLC2 pathway. ER stress activators might be more robust than the common drugs (Pituitrin or acetylcholine) as to induce vasocontraction and thus may serve as potential therapeutics against chronic bleeding, while its inhibitor might be useful for treatment of severe CAS caused by other medication.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

The effect of non-redox promoters (AlO x , PO x , SiO x and ZrO x ) and surface sulfates on supported V 2 O 5 -WO 3 /TiO 2 catalysts in selective catalytic reduction of NO with NH 3

The SCR activity of MO x (M=Al, P, Si, Zr) promoted V 2 O 5 -WO 3 /TiO 2 was investigated before and after sulfation. In situ IR spectroscopy indicated that the VO x active sites preferentially anchor on promoter generated surface hydroxyl. In situ Raman spectroscopy confirmed that all oxides are completely dispersed on the TiO 2 surface. In situ NH 3 -IR spectroscopy showed that the oxides can increase the Lewis (AlO x and ZrO x ) and Brønsted (PO x , SiO x , VO x , WO x and SO x ) acid site concentrations. The SiO x and ZrO x promoters had little effect on NO conversion, while the AlO x and PO x promoters and surface sulfation generally inhibited it. The SiO x promoted catalyst was highly SCR active despite lacking Lewis acid sites, indicating that they are not vital for SCR. Finally, the N 2 O formation activity of the catalyst was inhibited by surface sulfation and the promoters, correlating with the promoter and SO x induced increase in the Brønsted acid sites’ strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Polyamine phosphorus dendrimer materials for carbon dioxide capture

The present disclosure provides novel solid sorbents synthesized by the reaction of polyamines with polyaldehyde phosphorous dendrimer (P-dendrimer) compounds. The sorbents are highly stable and exhibit rapid reaction kinetics with carbon dioxide, making the sorbents applicable for carbon capture, and can be easily regenerated for further use. The material is stable to aqueous and organic media, as well as strong acid and bases. The sorbent maintains full capacity over extended use. The material can be used for CO2 capture from pure CO2 streams, mixed gas streams, simulated flue gas, and ambient air. Additionally, the material can be adhered to surfaces for reversible CO2 capture applications outside of bulk particle-based processes.

Thompson, III, Samuel John↗

DOE OSTI2016

High inorganic phosphate causes DNMT1 phosphorylation and subsequent fibrotic fibroblast activation

Phosphate is an essential constituent of critical cellular functions including energy metabolism, nucleic acid synthesis and phosphorylation-dependent cell signaling. Increased plasma phosphate levels are an independent risk factor for lowered life-expectancy as well as for heart and kidney failure. Nevertheless, direct cellular effects of elevated phosphate concentrations within the microenvironment are poorly understood and have been largely neglected in favor of phosphor-regulatory hormones. Because interstitial fibrosis is the common determinant of chronic progressive kidney disease, and because fibroblasts are major mediators of fibrogenesis, we here explored the effect of high extracellular phosphate levels on renal fibroblasts. We demonstrate that high inorganic phosphate directly induces fibrotic fibroblast activation associated with increased proliferative activity, increased expression of α-smooth muscle actin and increased synthesis of type I collagen. We further demonstrate that such fibroblast activation is dependent on phosphate influx, aberrant phosphorylation of DNA methyltransferase DNMT1 and aberrant CpG island promoter methylation. In summary, our studies demonstrate that elevated phosphate concentrations induce pro-fibrotic fibroblast activation independent of phospho-regulatory hormones. - Highlights: • We exposed human kidney fibroblasts to media containing 1 mM or 3 mM phosphate. • Increased phosphate influx causes phosphorylation of DNA methyltransferase Dnmt1. • Phosphorylated Dnmt1 causes promoter methylation and transcriptional silencing of RASAL1. • Depletion of RASAL1 causes increased intrinsic Ras-GTP activity and fibroblast activation. • Inorganic phosphate causes fibroblast activation independent of phospho-regulatory hormones.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Platinum-complexed phosphorous-doped carbon nitride for electrocatalytic hydrogen evolution

Sustainable hydrogen gas production is critical for future fuel infrastructure. Here, a series of phosphorous-doped carbon nitride materials were synthesized by thermal annealing of urea and ammonium hexafluorophosphate, and platinum was atomically dispersed within the structural scaffold by thermal refluxing with Zeise's salt forming Pt–N/P/Cl coordination interactions, as manifested in X-ray photoelectron and absorption spectroscopic measurements. The resulting materials were found to exhibit markedly enhanced electrocatalytic activity towards the hydrogen evolution reaction (HER) in acidic media, as compared to the P-free counterpart. This was accounted for by P doping that led to a significantly improved charge carrier density within C 3 N 4 , and the sample with the optimal P content showed an overpotential of only –22 mV to reach the current density of 10 mA cm –2 , lower than that of commercial Pt/C (–26 mV), and a mass activity (7.1 mA μg –1 Pt at –70 mV vs. reversible hydrogen electrode) nearly triple that of the latter. Finally, results from the present study highlight the significance of P doping in the manipulation of the electronic structures of metal/carbon nitride nanocomposites for high-performance HER electrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Pincers with diverse donors and their interconversion: application to Ni(II)

Abstract A pincer ligand composed of a pyridine with ortho positions substituted by a bulky phosphine arm and a pyrazole arm (PNNH) is installed on nickel(II) to yield the diamagnetic planar complex [(PNNH)NiCl]Cl. The chloride anion can be replaced by BPh 4 − by a metathesis. The acidic pyrazole proton can be removed with LiN(SiMe 3 ) 2 to yield the square planar neutral molecule (PNN − )NiCl. The coordinated chloride can be metathetically replaced by azide to yield diamagnetic (PNN − )Ni(N 3 ). To evaluate changing the phosphine donor for a phosphine sulfide, the corresponding pincer ligand SPNNH was synthesized and installed on NiBr 2 . The reduced steric bulk from the more distant phosphorous keeps both halides coordinated in the paramagnetic molecular species (SPNNH)NiBr 2 . Several attempts to dehydrobrominate this species result in synthesis and characterization of two unexpected products. One effort revealed that the electrophilic character of P(V) leaves the phosphorus atom in (SPNNH)NiBr 2 vulnerable to nucleophilic attack, resulting in a P/C cleavage product which was characterized.

Cabelof, Alyssa C.↗

DOE OSTI2023

2022 American Conference on Neutron Scattering (ACNS 2022)

The 11th American Conference on Neutron Scattering (ACNS 2022) will be held on June 5-9, 2022, in Boulder, CO. The Conference will provide essential information on the breadth and depth of current neutron-related research worldwide. Hosted by the Neutron Scattering Society of America, this year’s Conference will feature a combination of invited and contributed talks, poster sessions, and tutorials. Topics of the conference are: Advances in Neutron Facilities, Instrumentation and Software: Developments in sources, instrumentation, sample environments and control software. Hard Condensed Matter: Magnetism, correlated metals, quantum/topological materials, superconductors, ferroelectrics, multiferroics, glasses, and disorder phenomena. Submissions outlining examples of neutron scattering in industrial and engineering applications involving hard condensed matter systems are also encouraged. Soft Matter: Neutron studies of soft materials and related fields including in situ and in operando studies. Polymers, surfactants, emulsions, gels, nanoparticles, colloidal suspensions and more. Submissions of computational studies or applications of machine learning beneficial to neutron scattering experiments, as well as examples of neutron scattering in industrial and engineering applications are strongly encouraged. Biology, Biophysics and Biotechnology: Neutron studies of biological and biologically relevant systems. Proteins, bio membranes, biological assemblies, natural materials, nucleic acids, drug-delivery platforms and biomedical systems. Submissions of computational studies or applications of machine learning beneficial to biological neutron scattering experiments, as well as examples of neutron scattering in applied research involving biological systems, are strongly encouraged. Materials Chemistry and Energy: Neutron-based studies of functional materials and materials for energy applications. Examples include porous materials such as metal organic frameworks (MOFs), zeolites; phosphors; novel pigments; electrolytes; catalysts; ionic conductors/cathode materials; photovoltaic materials (hybrid perovskites); thermoelectrics; magnetocalorics/electrocalorics. Structural Materials and Engineering: Neutron scattering studies of materials and engineering processes including structural materials, concrete and metals, as well as engineering processes including combustion, corrosion, additive manufacturing, and others. Neutron Physics: Fundamental physical studies of the neutron and related areas. Emerging Applications in Neutron Scattering: Machine Learning and Data Science: Advances in computing power have contributed to rapidly evolving machine learning and data science fields that can be leveraged to the benefit of the neutron scattering community. The purpose of this session is to highlight recent advances in machine learning and data science and to serve as the foundation of a parallel data and computation track highlighting computation advances and applications in neutron scattering throughout the conference.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO 2 hydrogenation

To explore the influence of a biologically inspired second and outer coordination sphere on Rh-bis(diphosphine) CO 2 hydrogenation catalysts, a series of five complexes were prepared by varying the substituents on the pendant amine in the P(Et) 2 CH 2 N R CH 2 P(Et) 2 ligands (P Et N R P Et ), where R consists of methyl ester modified amino acids, including three neutral (glycine methyl ester (GlyOMe), leucine methyl ester (LeuOMe), and phenylalanine methyl ester (PheOMe)), one acidic (aspartic acid dimethyl ester (AspOMe)) and one basic (histidine methyl ester (MeHisOMe)) amino acid esters. The turnover frequencies (TOFs) for CO 2 hydrogenation for each of these complexes were compared to those of the non-amino acid containing [Rh(depp) 2 ] + (depp) and [Rh(P Et N Me P Et ) 2 ] + (NMe) complexes. Each complex is catalytically active for CO 2 hydrogenation to formate under mild conditions in THF. Catalytic activity spanned a factor of four, with the most active species being the NMe catalyst, while the slowest were the GlyOMe and the AspOMe complexes. Finally, when compared to a similar set of catalysts with phenyl-substituted phosphorous groups, a clear contribution of the outer coordination sphere is seen for this family of CO 2 hydrogenation catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Microbial Phosphorus Mobilization Strategies Across a Natural Nutrient Limitation Gradient and Evidence for Linkage With Iron Solubilization Traits

Microorganisms have evolved several mechanisms to mobilize and mineralize occluded and insoluble phosphorus (P), thereby promoting plant growth in terrestrial ecosystems. However, the linkages between microbial P-solubilization traits and the preponderance of insoluble P in natural ecosystems are not well known. We tested the P solubilization traits of hundreds of culturable bacteria representative of the rhizosphere from a natural gradient where P concentration and bioavailability decline as soil becomes progressively more weathered. Aluminum, iron phosphate and organic P (phytate) were expected to dominate in more weathered soils. A defined cultivation medium with these chemical forms of P was used for isolation. A combination of soil chemical, spectroscopic analyses and 16S rRNA gene sequencing were used to understand the in situ ability for solubilization of these predominant forms of P. Locations with more occluded and organic P harbored the greatest abundance of P-mobilizing microorganisms, especially Burkholderiaceae ( Caballeronia and Paraburkholderia spp.). Nearly all bacteria utilized aluminum phosphate, however fewer could subsist on iron phosphate (FePO 4 ) or phytate. Microorganisms isolated from phytic acid were also most effective at solubilizing FePO 4 , suggesting that phytate solubilization may be linked to the ability to solubilize Fe. Significantly, we observed Fe to be co-located with P in organic patches in soil. Siderophore addition in lab experiments reinstated phytase mediated P-solubilization from Fe-phytate complexes. Taken together, these results indicate that metal-organic-P complex formation may limit enzymatic P solubilization from phytate in soil. Additionally, the linked traits of phytase and siderophore production were mostly restricted to specific clades within the Burkholderiaceae . We propose that Fe complexation of organic P (e.g., phytate) represents a major constraint on P turnover and availability in acidic soils, as only a limited subset of bacteria appear to possess the traits required to access this persistent pool of soil P.

59 BASIC BIOLOGICAL SCIENCES↗