SEARCH · Engineering Papers

Results for “conclusions”

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 793 records · Page 44

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Sostdc1 Suppression in the Absence of Sclerostin Potentiates Anabolic Action of Cortical Bone in Mice

ABSTRACT The development of Wnt-based osteoanabolic agents has progressed rapidly in recent years, given the potent effects of Wnt modulation on bone homeostasis. Simultaneous pharmacologic inhibition of the Wnt antagonists sclerostin and Dkk1 can be optimized to create potentiated effects in the cancellous bone compartment. We looked for other candidates that might be co-inhibited along with sclerostin to potentiate the effects in the cortical compartment. Sostdc1 (Wise), like sclerostin and Dkk1, also binds and inhibits Lrp5/6 coreceptors to impair canonical Wnt signaling, but Sostdc1 has greater effects in the cortical bone. To test this concept, we deleted Sostdc1 and Sost from mice and measured the skeletal effects in cortical and cancellous compartments individually. Sost deletion alone produced high bone mass in all compartments, whereas Sostdc1 deletion alone had no measurable effects on either envelope. Mice with codeletion of Sostdc1 and Sost had high bone mass and increased cortical properties (bone mass, formation rates, mechanical properties), but only among males. Combined administration of sclerostin antibody and Sostdc1 antibody in wild-type female mice produced potentiation of cortical bone gain despite no effect of Sostdc1 antibody alone. In conclusion, Sostdc1 inhibition/deletion can work in concert with sclerostin deficiency to improve cortical bone properties. © 2023 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Examining the Impact of Local Constraint Violations on Energy Computations in DFT

ABSTRACT This work examines the impact of locally imposed constraints in Density Functional Theory (DFT). Using a metric referred to as the extent of violation index (EVI), we quantify how well exchange‐correlation functionals adhere to local constraints. Applying EVIs to a diverse set of molecules for GGA functionals reveals constraint violations, particularly for semi‐empirical functionals. We leverage EVIs to explore potential connections between these violations and errors in chemical properties. While no correlation is observed for atomization energies, a significant statistical correlation emerges between EVIs and total energies. Similarly, the analysis of reaction energies suggests weak positive correlations for specific constraints. However, definitive conclusions about error cancellation mechanisms cannot be made at this time. These observations revealed by EVIs may be useful for consideration when designing future generations of semilocal functionals.

Khanna, Vaibhav [Department of Chemistry Universit↗

DOE OSTI2025

Projector‐Based Quantum Embedding Study of Iron Complexes

Projection‐based embedding theory (PBET) is used to calculate and assess the challenging spin‐crossover energies for a selection of small Fe‐containing systems by embedding the metal center into the frozen potential of the ligands. MP2, CCSD, and CCSD(T) are embedded in potentials from the SCAN and r 2 SCAN functionals and compared with the canonical values for the constituent methods and previously reported reference values. Considering the PBET calculations as a correction for the underlying DFT, the embedding calculations are able to provided improvement for most cases. In some cases, the PBET methods are able to compensate for limitations in the wave function methods and produce results similar to more rigorous calculations from the literature. For the systems with spin‐crossover energies near zero, the current methodology fails to provide consistent improvement. In conclusion, the isolated recalculation of the electronic structure around the metal center when embedded into a DFT treatment of the ligand field shows promise as a pragmatic and lower cost treatment compared to the canonical treatment of the whole system of the difficult class of spin‐crossover complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Establishment of time‐resolved fluoroimmunoassay of IgG4 based on magnetic microspheres

Abstract Background The abnormal increase in serum IgG4 level is an important clinical symptom of IgG4‐related disease (IgG4‐RD), and the detection of serum IgG4 level is a powerful tool for the diagnosis of IgG4‐RD. This study was conducted to establish a simple and rapid immunoassay for the determination of human serum IgG4 levels. Methods Based on the competition method, a novel immunoassay was established for the determination of human serum IgG4 using a combination of time‐resolved fluoroimmunoassay (TRFIA) and magnetic microspheres. IgG4 was coupled with magnetic microspheres and competed with IgG4 in the samples to bind the Eu 3+ ‐labeled anti‐IgG4 antibody. The immunocomplex was separated and washed in a magnetic field, and the fluorescence counts were measured according to the number of dissociated europium ions. Results The analytical sensitivity of IgG4‐TRFIA based on magnetic microspheres was 0.006 g/L, and the detection range was 0.006–20 g/L under optimal conditions. The precision, recovery, and specificity of this immunoassay were demonstrated to be acceptable. The clinical application of IgG4‐TRFIA based on magnetic microspheres was evaluated and compared with that of immunonephelometry. The results showed that the two detection methods had a good correlation, with a correlation coefficient of .9871. Conclusion IgG4‐TRFIA based on magnetic microspheres has the advantages of high sensitivity, wide detection range, and short analysis time and has the potential to become a useful tool for the diagnosis of IgG4‐RD.

Wu, Qingqing↗

DOE OSTI2020

Highly efficient separation membrane based on cellulose acetate/chitosan fibrous composite substrate with activated carbon functional adsorption layer

Abstract BACKGROUND For improving the permeability and selectivity of adsorption separation membranes, membrane materials, structural morphology and separation technology must continue to be investigated. Development of a membrane that is environmentally friendly, cost‐effective and with high filter precision is an important direction in current research. RESULTS The air pressure spraying method was used to prepare an activated carbon (AC)–cellulose acetate/chitosan (CA/CS) composite membrane. The CA/CS fiber composite membrane was prepared as substrate layer, and AC was loaded on the surface of the CA/CS composite membrane as a functional adsorption layer. When the spraying pressure was 0.01 MPa and the mass ratio of AC/CS was 2:1, a composite membrane with even and compact morphology could be obtained. Both the compact AC functional layer and complete CA/CS substrate layer endowed the AC–CA/CS composite membrane with an excellent water filtration property. At low feeding pressure, the permeate flux and rejection rate of bisphenol A (BPA) could reach 9.27 × 10 3 L m −2 h −1 and 98.31%, respectively. Meanwhile, the adsorption capacities of the membrane were investigated. It tended to equilibrate quickly in 2 min for dyes and BPA. The equilibrium adsorption capacities of the membrane for acid blue, acid yellow and BPA were 175.80, 164.0815 and 79.58 mg g −1 , respectively. The adsorption process conformed to pseudo‐second‐order kinetics and the Langmuir monolayer adsorption model. CONCLUSIONS This work could provide a practical and effective feasibility for membrane separation technology. © 2020 Society of Chemical Industry (SCI)

Zhao, Xiaoyan↗

DOE OSTI2021

Green synthesis of sulfur‐doped g‐C 3 N 4 nanosheets for enhanced removal of oxytetracycline under visible‐light irradiation and reduction of its N ‐nitrosodimethylamine formation potential

Abstract BACKGROUND In this study, sulfur‐doped g‐C 3 N 4 (SCN) nanosheets were synthesized using thiourea as a precursor, and then used to catalyze the degradation of oxytetracycline (OTC) under visible‐light irradiation. OTC was chosen as target contaminant because of it being an important precursor of N ‐nitrosodimethylamine (NDMA). RESULTS The removal of OTC was influenced by its initial concentration, initial pH, SCN dosage and water matrices. OTC (≤10 mg L −1 ) was almost completely removed in 40 min under the conditions of an initial pH of 7.0 and a SCN dose of 1.0 g L −1 , and its degradation was well described by the pseudo‐first‐order kinetics model. Water matrices would also influence the degradation of OTC in the system. Electron paramagnetic resonance analysis and trapping experiments confirmed that the function of the radicals for OTC removal followed the order of • O 2 − > • OH > h + . Eight transformation products were determined during the degradation of OTC, it being removed through four pathways: methyl oxidization, demethylation, decarbonylation and secondary alcohol oxidation. SCN was stable in the system, as the removal efficiency of OTC was not significantly reduced even after three recycles. In addition, 55.5% of NDMA formation potential of OTC was reduced after SCN catalytic oxidation. CONCLUSIONS The results imply that the visible‐light‐driven SCN catalytic oxidation is an effective technology not only for the removal of OTC but also for the reduction of NDMA formation potential. © 2021 Society of Chemical Industry

Dou, Yicheng↗

DOE OSTI2022

Adsorption of methylene blue by bismuth impregnated biochar of different biomass materials: pore structure and surface chemistry characteristics

Abstract In this study, three different types of biochar (biomass materials were beech wood, corncob, and bamboo) were loaded with bismuth to form bismuth impregnated biochars (named respectively as Bi@WBC, Bi@CBC, and Bi@BBC) to investigate their properties (pore structure and surface chemistry characteristics) on methylene blue (MB) removal capacities. Three bismuth impregnated biochars made from different biomass materials were ranked for their adsorption capacity of MB as follows: Bi@WBC > Bi@CBC > Bi@BBC, in which Bi@WBC showed the largest Langmuir adsorption capacity of 178.59 mg g −1 . While the specific surface area (SSA) and pore volume of Bi@WBC were the largest (accounting for 477.74 m 2 g −1 and 0.15 cm 3 g −1 , respectively), according to the FTIR and XPS results, Bi@WBC (72.3%) exhibited a higher proportion of BiO bonds than the Bi@CBC (52.3%) and Bi@BBC (48.4%) did. Conclusively, the rich porous structure and surface functional groups of Bi@WBC affected the adsorption capacity of MB, and the chemical adsorption provided the main contribution. © 2022 Society of Chemical Industry (SCI).

Li, Peiyi↗

DOE OSTI2022

Synergistic degradation performance of UV / TiO 2 photocatalysis and biotrickling filtration inoculated with Aspergillus sp. S1 for gaseous m ‐xylene

Abstract Background Biotricking filtration (BTF) based on absorption and biodegradation of waste gas by microorganisms in a biofilm can be used to degrade with difficulty hydrophobic volatile pollutants. Photocatalysis is a promising technology for the abatement of gaseous contaminants because of its nonselective oxidation of volatile organic compounds; however, photocatalysis technology has the limitations of high energy consumption and low mineralization efficiency. This study, therefore, aimed to investigate the synergistic effects of UV/TiO 2 photocatalysis (PCO) pretreatment and BTF in treating gaseous m ‐xylene. Results BTF incubated with a mold, Aspergillus sp. S1, was acclimated with m ‐xylene as the sole carbon source. A combined system of PCO with BTF was developed to remove gaseous m ‐xylene. The results showed that the startup period was shortened by 3 days in the PCO‐BTF combined system compared to that with BTF alone. The removal efficiency reached 73% and 91% for the BTF and PCO‐BTF systems respectively when the empty bed residence time was extended to 90 s. In addition, PCO‐BTF could withstand transient shock loading of m ‐xylene of 5000 mg m −3 and gradually restore its decontamination performance. Conclusions PCO pretreatment was effective in the enhancement of the removal capacity of BTF for m ‐xylene. The PCO‐BTF system proposed in this study provides an attractive alternative to abate hydrophobic volatile pollutants. The integration of PCO essentially prompted the capability of Aspergillus sp. S1 in the BTF unit, which paves the way for the treatment of gaseous waste at an industrial scale. © 2022 Society of Chemical Industry (SCI).

Du, Qingping↗

DOE OSTI2022

Sn doping on partially dealuminated Beta zeolite by solid state ion exchange for 5‐hydroxymethylfurfural ( 5‐HMF ) production from glucose

Abstract BACKGROUND The conversion of glucose into 5‐hydroxymethylfurfural (5‐HMF) involves the isomerization of glucose to fructose catalyzed by Lewis acid and subsequent dehydration of fructose catalyzed by Brönsted acid. In this work, in order to obtain a high yield of 5‐HMF, a series of Sn‐Al‐Beta catalysts containing both Lewis and Brönsted acid sites were prepared by a convenient solid state ion exchange (SSIE) method using partially dealuminated Beta zeolite and tin(II) acetate. RESULTS The obtained bifunctional catalysts were investigated for one‐pot production of 5‐HMF from glucose in the ionic liquid (IL) [C 4 mim]Cl. Among various catalysts, Sn‐Al‐Beta‐ 4 ‐ 8 exhibited the best catalytic performance, giving a 5‐HMF yield of 54% under optimal reaction conditions (393 K, 2 h), along with a glucose conversion of 81%. The Sn‐Al‐Beta‐ 4‐8 catalyst and IL were regenerated by the extraction of 5‐HMF, and the reactivity was reserved after five runs of recycling. In addition to glucose, the Sn‐Al‐Beta‐ 4‐8 /[C 4 mim]Cl system was also proven to have the potential to effectively convert other carbohydrates into 5‐HMF. CONCLUSION The results suggested that the catalyst is convenient to prepare and has preferable efficiency and stability in the conversion of carbohydrates into 5‐HMF. © 2022 Society of Chemical Industry (SCI).

Zhang, Wei↗

DOE OSTI2023

Effect of bimetallic modification on blast furnace slag and its application in low‐temperature selective catalytic reduction

Abstract Objective In order to control NO x in low‐temperature flue gases emitted from non‐power industries and to reduce the preparation cost of denitration catalysts, this study uses inexpensive blast furnace slag as raw material to prepare denitration catalysts. Methods After cooling, drying and grinding, the blast furnace slag becomes a powder with considerable fineness and meets the requirements of activity index, which is called GGBS (ground granulated blast furnace slag). Using GGBS as denitration catalyst carrier, the active components M (M = Fe, Co, Ni, Cu and Ce) are loaded on Mn‐based GGBS catalyst using an impregnation method. Conclusions The effect of different active components on the denitration performance and sulfur resistance of Mn‐based GGBS catalysts is investigated. The results show that the Mn‐Ce/GGBS catalyst has better denitration performance and sulfur resistance. The Mn‐Ce/GGBS catalyst has a significant denitration performance when load ratio is 2:1. The active component Ce improves the denitration performance of the catalyst, reduces sulfur poisoning and extends the life of the catalyst. The SO 2 in the flue gas increases the acid sites on the catalyst surface and improves catalyst activity. The larger the ratios of Mn 4+ /Mn 3+ , Ce 4+ /Ce 3+ and O α /O β , the stronger the catalyst activity and the better the denitration performance. © 2022 Society of Chemical Industry (SCI).

Zhang, Lei↗

DOE OSTI2021

Engineering integration in elementary science classrooms: Effects of disciplinary language scaffolds on English learners' content learning and engineering identity

Abstract Background Limited research examines the effects of integrated science and engineering (SE) instruction emphasizing disciplinary literacy and language activities on engineering identity and content understanding. Far fewer studies target English learners (ELs). Purpose The impact of an SE intervention on the development of science, engineering, and technology knowledge as well as engineering identity was examined. To address ELs' learning needs, the curricular design was built on a validated SE model by integrating (1) developmental, (2) language scaffolds, and (3) culturally based accommodations. Design/Method Separate analysis of variance examined the effects of the intervention on science, engineering, and technology knowledge as well as engineering identity. The relationship among engineering identity and content outcomes was also examined. ELs from kindergarten to second grade classrooms were randomly assigned to the integrated SE group or control group. Results Integrated SE instruction significantly increased ELs' science, engineering, and technology knowledge as well as a substantially developed engineering identity. Overall, ELs' engineering identity is associated with an increase in science, engineering, and technology content knowledge. However, second grade girls' identity development was not associated with learning measures. These correlations suggest the context of the engineering activity may have reinforced gendered stereotypes and reduced the effects for girls' engineering attitudes. Conclusions Integrated SE instruction emphasizing disciplinary literacy and cultural accommodations increases early elementary ELs' learning and engineering identity. Future studies should examine the unique effects of language scaffolds and cultural modifications on student learning and the impact of gender stereotypes on girls' engineering attitudes.

Aguirre‐Muñoz, Zenaida↗

DOE OSTI2022

On the importance of color in mass spectrometry imaging

Mass spectrometry imaging (MSI) data visualization relies on heatmaps to show the spatial distribution and measured abundances of molecules within a sample. Non-uniform color gradients such as jet are still commonly used to visualize MSI data, increasing the probability of data misinterpretation and false conclusions. Also, the use of non-uniform color gradients and the combination of hues used in common colormaps makes it challenging for people with color vision deficiencies (CVDs) to visualize and accurately interpret data. Here we present best practices for choosing a colormap to accurately display MSI data, improve readability, and accommodate all CVDs. We also provide other resources on the misuse of color in the scientific field and resources on scientifically derived colormaps presented herein.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Sensitivity analysis of a layered piezoelectric system using ZFEM

The complex variable finite element method (ZFEM) is a numerical technique which aims to find the partial derivatives of the independent variables with respect to variation in dependent parameters declared in the physics. This is done by combining the complex Taylor series expansion within the weak formulation of the governing equation in a coupled system of linear equations forming a complex valued block matrix given by the Cauchy–Riemann matrix representation. In this work, two-dimensional linear first-order elements have been implemented in ZFEM to predict the design derivatives of the mechanical displacement field and the voltage potential field for a layered piezoelectric system in a steady-state study with Dirichlet boundary condition applied at the top and bottom edges of the geometry. This approach allows the standard FEM solution to quantify the sensitivity of the mechanical displacement and voltage potential fields with respect to small variations in the material properties through the information obtained from the computation of the derivatives. The domain is formed by a layered body with PZT-4 and PZT-5 stacked together. For result verification, the numerical solution obtained with ZFEM was compared to results from a commercial FEM package and the solution from the imaginary part was compared to the exact solution of a well-known benchmark problem. In conclusion, comparison of the results showed good agreement for both the real and imaginary parts of the solution and the largest sensitivities were found in PZT-5 specifically in C 13 , C 33 , and ε 33 .

42 ENGINEERING↗

DOE OSTI2024

Effect of Particle Size on Raman Signal Strength of Silicate Minerals

Understanding the effects of particle size is necessary for quantifying minerals in mixtures using Raman spectroscopy. Raman signal intensity is evaluated using six common silicate minerals (two olivines, two pyroxenes, and two feldspars) at 10 particle size ranges. For olivines and feldspars, the highest peak intensities are observed in samples with 38–63 and 63–106 μm particle sizes. There is no such consistent trend for the pyroxene samples, although the overall low signal strength complicates those measurements. In conclusion, Raman spectra of samples with varying particle sizes appear to be influenced by two competing effects: scattering from particle boundaries and effective sampling volume.

58 GEOSCIENCES↗

DOE OSTI2025

Spatially Resolved Raman Spectroscopy of Thin Carbon Interphase in SiC Ceramic Matrix Composites

A dedicated analysis method is presented to extract the Raman spectrum of an interphase layer thinner than the laser spot size. We focused on spatial correlations between the contrast of optical micrographs and Raman hyperspectral data to predict the constituents of the mixed spectra measured near the interphase. By employing a mapping step size of 0.1 μm, the Raman spectrum of approximately 0.3-μm-thick carbon interphase in a SiC fiber-reinforced SiC matrix composite was extracted from data acquired with a theoretical spot size of about 0.7 μm. Notably, conventional chemometrics procedures were unable to isolate the interphase signal, instead producing a spectrum representing a mixture of interphase and matrix. This study used another composite with approximately 0.9-μm-thick interphase to validate the analysis method, enabling direct measurement of the interphase spectrum. The proposed Raman analysis method has advantages in specimen volume and turnaround time compared to traditional characterization methods, such as transmission electron microscopy. In conclusion, this study also evaluates the applicability of the analysis method to different composite materials and identifies key requirements of the measurements, including the ratio of interphase thickness to spot size and the homogeneity of the surrounding matrix.

ceramic matrix composite↗

DOE OSTI2020

Effect of dietary fiber fermentation on short‐chain fatty acid production and microbial composition in vitro

Abstract BACKGROUND The efficient utilization of fiber‐rich co‐products is important for optimizing feed resource utilization and animal health. This study was conducted to evaluate the fermentation characteristics of fiber‐rich co‐products, which had equal quantities of total dietary fiber (TDF), at different time points using batch in vitro methods. It considered their gas production, short‐chain fatty acid (SCFA) production, and microbial composition. RESULTS The fermentation of wheat bran (WB) and oat bran (OB) showed higher and faster ( P < 0.05) gas and SCFA production than corn bran (CB), sugar beet pulp (SBP), and soybean hulls (SH). The α ‐diversity was higher in the CB, SBP, and SH groups than in the WB and OB groups ( P < 0.05). At the phylum level, OB and WB fermentation showed lower ( P < 0.05) relative abundance of Actinobacteria than the CB, SBP, and SH groups. At the genus level, OB and WB fermentation increased the Enterococcus population in comparison with the CB, SBP, and SH groups, whereas CB and SBP fermentation improved the relative abundance of the Christensenellaceae R‐7 group more than the WB, OB, and SH groups ( P < 0.05). CONCLUSION Overall, WB and OB were rapidly fermented by fecal microbiota, in contrast with SBP, SH, and CB. Fermentation of different fiber‐rich co‐products with an equal TDF content gives different responses in terms of microbial composition and SCFA production due to variations in their physicochemical properties and molecular structure. © 2020 Society of Chemical Industry

Bai, Yu↗

DOE OSTI2020

The effects of different types of mulch on soil properties and tea production and quality

Abstract BACKGROUND Tea is an important economic crop in China. Mulching, a modern agricultural practice, can modify the soil microenvironment and maintain the crop yield. RESULTS To investigate the effect of different mulching modes on tea plant growth, filed experiments were conducted in a Shizipu tea plantation located in Langxi Country (Xuanchen City, Anhui Province, China). Five treatments were carried out in a randomized complete block arrangement: (i) clean tillage (control); (ii) black plastic film; (iii) weed barrier fabric; (iv) rice straw mulch; and (v) intercropping with Vulpia myuros . The effects of different mulch modes on soil temperature, water moisture, soil compactness, root activity, soil enzyme activity and nutrition status on tea yield, quality and economic benefits were compared at the harvest stage. In the present study, compared with other mulch treatments, intercropping with V. myuros significantly reduced the topsoil temperature (to an optimum temperature) and soil compactness, and increased the water holding capacity in the deep soil layer, which contributed to increased tea root activity and respiration. Furthermore, intercropping with V. myuros significantly increased soil enzymes activity, soil organic matter, and the available nitrogen and phosphorus concentrations in the main root zone. Therefore, the stronger tea root activity accelerated nutrition uptake and increased the tea yield and quality‐related components of the tea, thus resulting in a larger average net income. CONCLUSION Intercropping with V. myuros could serve as a profitable agricultural method for tea production. © 2020 Society of Chemical Industry

Xianchen, Zhang↗

DOE OSTI2020

Antihypertensive effect of quinoa protein under simulated gastrointestinal digestion and peptide characterization

Abstract BACKGROUND Quinoa protein is a potential source of bioactive peptides. Although some studies have demonstrated its angiotensin converting enzyme (ACE) inhibitory properties, research into its in vivo effect on blood‐pressure regulation and peptide characterization remains limited. RESULTS Quinoa protein hydrolyzate (QPH) was prepared by simulated gastrointestinal digestion. QPH lowered the systolic blood pressure (SBP) and diastolic blood pressure (DBP) in spontaneously hypertensive model rats (SHRs) from 2 h to10 h after oral administration, effectively controlling blood pressure in these SHRs. An in vitro study showed that QPH is capable of inhibiting ACE activity. This was attributed to the activity of a number of low‐molecular‐weight peptides. With relatively high scores predicted by PeptideRanker, three promising bioactive peptides, FHPFPR, NWFPLPR, and NIFRPF, were further studied and their ACE‐inhibition effects were confirmed with IC 50 values of 34.92, 16.77, and 32.40 μM, respectively. A molecular docking study provided insights into the binding of ACE with peptides, and revealed that the presence of specific amino acids in the peptide sequence (Pro, Phe, and Arg at the C‐terminal, and Asn at the N‐terminal) could contribute to the interaction between ACE and peptides. CONCLUSION These results demonstrated the potential of QPH for the management of hypertension, which indicates that it could be a good candidate for inclusion in functional foods to control high blood pressure. © 2020 Society of Chemical Industry

Guo, Huimin↗