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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.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Improved high-throughput screening technique to rapidly isolate Chlamydomonas transformants expressing recombinant proteins

Abstract The single-celled eukaryotic green alga Chlamydomonas reinhardtii has long been a model system for developing genetic tools for algae, and is also considered a potential platform for the production of high-value recombinant proteins. Identifying transformants with high levels of recombinant protein expression has been a challenge in this organism, as random integration of transgenes into the nuclear genome leads to low frequency of cell lines with high gene expression. Here, we describe the design of an optimized vector for the expression of recombinant proteins in Chlamydomonas , that when transformed and screened using a dual antibiotic selection, followed by screening using fluorescence activated cell sorting (FACS), permits rapid identification and isolation of microalgal transformants with high expression of a recombinant protein. This process greatly reduces the time required for the screening process, and can produce large populations of recombinant algae transformants with between 60 and 100% of cells producing the recombinant protein of interest, in as little as 3 weeks, that can then be used for whole population sequencing or individual clone analysis. Utilizing this new vector and high-throughput screening (HTS) process resulted in an order of magnitude improvement over existing methods, which normally produced under 1% of algae transformants expressing the protein of interest. This process can be applied to other algal strains and recombinant proteins to enhance screening efficiency, thereby speeding up the discovery and development of algal-derived recombinant protein products. Key points • A protein expression vector using double-antibiotic resistance genes was designed • Double antibiotic selection causes fewer colonies with more positive for phenotype • Coupling the new vector with FACS improves microalgal screening efficiency > 60%

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Charge Recombination with Fractional Reaction Orders in Water-Splitting Dye-sensitized Photoelectrochemical Cells

In water-splitting dye-sensitized photoelectrochemical cells (WS-DSPECs), charge recombination competes with catalytic water oxidation to determine the overall efficiency of the system. The kinetics of these processes have been difficult to understand because transient absorbance (TA) experiments typically show nearly complete charge recombination on the sub-millisecond timescale; in contrast, electrochemical measurements such as open circuit photovoltage decay suggest a charge recombination timescale that is 2-3 orders of magnitude longer. Here we explore these processes with dye-sensitized nanocrystalline TiO 2 and TiO 2 /Ta 2 O 5 core-shell photoanodes in aqueous electrolytes using TA spectroscopy, intensity-modulated photovoltage spectroscopy (IMVS), and photoelectrochemical impedance spectroscopy (PEIS). The fast recombination rates measured by TA result from strong laser excitation that leads to high electron occupancy in TiO 2 , whereas IMVS modulates the concentration of charge-separated states near solar irradiance levels. The recombination processes measured by electrochemical methods such as IMVS, PEIS, and transient photovoltage are the discharging of injected electrons in TiO 2 , as evidenced by the close agreement betweeen the nearly first-order recombination rates probed by IMVS and the RC time constants derived from PEIS data. However, IMVS measurements at variable probe light intensity reveal that the reaction orders for the recombination of injected electrons with oxidized sensitizer molecules are far from unity. In conclusion, this kinetic analysis is relevant to understanding steady-state recombination rates in full WS-DSPECs in which molecular and nanoparticle catalysts are used to oxidize water.

14 SOLAR ENERGY↗
DOE OSTI2018

Tracking HIV-1 recombination to resolve its contribution to HIV-1 evolution in natural infection

Recombination in HIV-1 is well documented, but its importance in the low-diversity setting of within-host diversification is less understood. Here we develop a novel computational tool (RAPR (Recombination Analysis PRogram)) to enable a detailed view of in vivo viral recombination during early infection, and we apply it to near-full-length HIV-1 genome sequences from longitudinal samples. Recombinant genomes rapidly replace transmitted/founder (T/F) lineages, with a median half-time of 27 days, increasing the genetic complexity of the viral population. We identify recombination hot and cold spots that differ from those observed in inter-subtype recombinants. Furthermore, RAPR analysis of longitudinal samples from an individual with well-characterized neutralizing antibody responses shows that recombination helps carry forward resistance-conferring mutations in the diversifying quasispecies. These findings provide insight into molecular mechanisms by which viral recombination contributes to HIV-1 persistence and immunopathogenesis and have implications for studies of HIV transmission and evolution in vivo.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Investigation of recombination-intense viral groups and their genes in the Earth’s virome

Bacteriophages (phages), or bacterial viruses, are the most abundant and diverse biological entities that impact the global ecosystem. Recent advances in metagenomics have revealed their rampant abundance in the biosphere. A fundamental aspect of bacteriophages that remains unexplored in metagenomic data is the process of recombination as a driving force in evolution that occurs among different viruses within the same bacterial host. Here, we systematically examined signatures of recombination in every gene from 211 species-level viral groups in a recently obtained dataset of the Earth’s virome that contain corresponding information on the host bacterial species. Our study revealed that signatures of recombination are widespread (84%) among the diverse viral groups. We identified 25 recombination-intense viral groups, widely distributed across the viral taxonomy, and present in bacterial species living in the human oral cavity. We also revealed a significant inverse association between the recombination-intense viral groups and Type II restriction endonucleases, that could be effective in reducing recombination among phages in a cell. Furthermore, we identified recombination-intense genes that are significantly enriched for encoding phage morphogenesis proteins. Changes in the viral genomic sequence by recombination may be important to escape cleavage by the host bacterial immune systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Cosmic recombination in the presence of primordial magnetic fields

Primordial magnetic fields (PMFs) may explain observations of magnetic fields on extragalactic scales. They are most cleanly constrained by measurements of cosmic microwave background radiation (CMB) anisotropies. Their effects on cosmic recombination may even be at the heart of the resolution of the Hubble tension. We present the most detailed analysis of the effects of PMFs on cosmic recombination to date. To this end we extend the public magneto-hydrodynamic code ENZO with a new cosmic recombination routine, Monte-Carlo simulations of Lyman-α photon transport, and a Compton drag term in the baryon momentum equation. The resulting code allows us, for the first time, to realistically predict the impact of PMFs on the cosmic ionization history and the clumping of baryons during cosmic recombination. Our results identify the importance of mixing of Lyman-α photons between overdense- and underdense- regions for small PMF strength. This mixing speeds up recombination beyond the speed-up due to clumping. We also investigate the effects of pecuilar flows on the recombination rate and find it to be small for small PMF strengths. For non-helical PMFs with a Batchelor spectrum we find a surprising dependency of results on ultra-violet magnetic modes. We further show that the increase in the ionization fraction at low redshift by hydrodynamic baryon heating due to PMF dissipation is completely compensated by the faster recombination from baryon clumping. In conclusion, the present study shall serve as a theoretical foundation for a future precise comparison of recombination with PMFs to CMB data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Protoplast fusion in Bacillus species produces frequent, unbiased, genome-wide homologous recombination

Abstract In eukaryotes, fine-scale maps of meiotic recombination events have greatly advanced our understanding of the factors that affect genomic variation patterns and evolution of traits. However, in bacteria that lack natural systems for sexual reproduction, unbiased characterization of recombination landscapes has remained challenging due to variable rates of genetic exchange and influence of natural selection. Here, to overcome these limitations and to gain a genome-wide view on recombination, we crossed Bacillus strains with different genetic distances using protoplast fusion. The offspring displayed complex inheritance patterns with one of the parents consistently contributing the major part of the chromosome backbone and multiple unselected fragments originating from the second parent. Our results demonstrate that this bias was in part due to the action of restriction–modification systems, whereas genome features like GC content and local nucleotide identity did not affect distribution of recombination events around the chromosome. Furthermore, we found that recombination occurred uniformly across the genome without concentration into hotspots. Notably, our results show that species-level genetic distance did not affect genome-wide recombination. This study provides a new insight into the dynamics of recombination in bacteria and a platform for studying recombination patterns in diverse bacterial species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Recombinant cells and organisms having persistent nonstandard amino acid dependence and methods of making them

Recombinant cells and recombinant organisms persistently expressing nonstandard amino acids (NSAAs) are provided. Methods of making recombinant cells and recombinant organisms dependent on persistently expressing NSAAs for survival are also provided. These methods may be used to make safe recombinant cells and recombinant organisms and/or to provide a selective pressure to maintain one or more reassigned codon functions in recombinant cells and recombinant organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

An all optical approach for comprehensive in-operando analysis of radiative and nonradiative recombination processes in GaAs double heterostructures

We demonstrate an all optical approach that can surprisingly offer the possibility of yielding much more information than one would expect, pertinent to the carrier recombination dynamics via both radiative and nonradiative processes when only one dominant deep defect level is present in a semiconductor material. By applying a band-defect state coupling model that explicitly treats the inter-band radiative recombination and Shockley–Read–Hall (SRH) recombination via the deep defect states on an equal footing for any defect center occupation fraction, and analyzing photoluminescence (PL) as a function of excitation density over a wide range of the excitation density (e.g., 5–6 orders in magnitude), in conjunction with Raman measurements of the LO-phonon plasmon (LOPP) coupled mode, nearly all of the key parameters relevant to the recombination processes can be obtained. They include internal quantum efficiency (IQE), minority and majority carrier density, inter-band radiative recombination rate (W r ), minority carrier nonradiative recombination rate (W nr ), defect center occupation fraction (f), defect center density (N t ), and minority and majority carrier capture cross-sections (σ t and σ tM ). While some of this information is thought to be obtainable optically, such as IQE and the W r /W nr ratio, most of the other parameters are generally considered to be attainable only through electrical techniques, such as current-voltage (I-V) characteristics and deep level transient spectroscopy (DLTS). Following a procedure developed herein, this approach has been successfully applied to three GaAs double-heterostructures that exhibit two distinctly different nonradiative recombination characteristics. The method greatly enhances the usefulness of the simple PL technique to an unprecedented level, facilitating comprehensive material and device characterization without the need for any device processing.

14 SOLAR ENERGY↗
DOE OSTI2014

InGaN/GaN multiple-quantum-well light-emitting diodes with a grading InN composition suppressing the Auger recombination

In conventional InGaN/GaN light-emitting diodes (LEDs), thin InGaN quantum wells are usually adopted to mitigate the quantum confined Stark effect (QCSE), caused due to strong polarization induced electric field, through spatially confining electrons and holes in small recombination volumes. However, this inevitably increases the carrier density in quantum wells, which in turn aggravates the Auger recombination, since the Auger recombination scales with the third power of the carrier density. As a result, the efficiency droop of the Auger recombination severely limits the LED performance. Here, we proposed and showed wide InGaN quantum wells with the InN composition linearly grading along the growth orientation in LED structures suppressing the Auger recombination and the QCSE simultaneously. Theoretically, the physical mechanisms behind the Auger recombination suppression are also revealed. The proposed LED structure has experimentally demonstrated significant improvement in optical output power and efficiency droop, proving to be an effective solution to this important problem of Auger recombination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Interpreting impedance spectra of organic photovoltaic cells—Extracting charge transit and recombination rates

Impedance spectroscopy has been widely used to extract the electron-hole recombination rate constant in organic photovoltaic cells (OPVs). This technique is typically performed on OPVs held at open-circuit. Under these conditions, the analysis is simplified with recombination as the only pathway for the decay of excess charge carriers; transit provides no net change in the charge density. In this work, we generalize the application and interpretation of impedance spectroscopy for bulk heterojunction OPVs at any operating voltage. This, in conjunction with reverse bias external quantum efficiency measurements, permits the extraction of both recombination and transit rate constants. Using this approach, the transit and recombination rate constants are determined for OPVs with a variety of electron donor-acceptor pairings and compositions. It is found that neither rate constant individually is sufficient to characterize the efficiency of charge collection in an OPV. It is demonstrated that a large recombination rate constant can be accompanied by a large transit rate constant, thus fast recombination is not necessarily detrimental to OPV performance. Extracting the transit and recombination rate constants permits a detailed understanding of how OPV architecture and processing conditions impact the transient behavior of charge carriers, elucidating the origin of optimum device configurations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Mechanism of charge recombination in meso-structured organic-inorganic hybrid perovskite solar cells: A macroscopic perspective

In the currently popular organic-inorganic hybrid perovskite solar cells, the slowness of the charge recombination processes is found to be a key factor for contributing to their high efficiencies and high open circuit voltages, but the underlying recombination mechanism remains unclear. In this work, we investigate the bimolecular recombination (BR) and the trap-assisted monomolecular recombination (MR) in meso-structured perovskite solar cells under steady state working condition, and try to reveal their roles on determining the device performance. Some interfacial effects such as the injection barriers at the selective contacts are examined as well. Based on the macroscopic device modeling, the recombination resistance-voltage (R{sub rec}−V) and the current density-voltage (J–V) curves are calculated to characterize the recombination mechanism and describe the device performance, respectively. Through comparison with the impedance spectroscopy extracted R{sub rec} data, it is found that under the typical BR reduction factor and deep trap densities observed in experiments, the MR dominates the charge recombination in the low voltage regime, while the BR dominates in the high voltage regime. The short circuit current and the fill factor could be reduced by the significant MR but the open circuit voltage is generally determined by the BR. The different electron injection barriers at the contact can change the BR rate and induce different patterns for the R{sub rec}–V characteristics. For the perovskites of increased band gaps, the R{sub rec}'s are significantly enhanced, corresponding to the high open circuit voltages. Finally, it is revealed that the reduced effective charge mobility due to the transport in electron and hole transporting material makes the R{sub rec} decrease slowly with the increasing voltage, which leads to increased open circuit voltage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Excitation correlation photoluminescence in the presence of Shockley-Read-Hall recombination

Excitation correlation photoluminescence (ECPL) measurements are often analyzed in the approximation of a cross correlation of charge carrier populations generated by the two delayed pulses. In semiconductors, this approach is valid for a linear non-radiative recombination path, but not for a non-linear recombination rate as in the general Shockley-Read-Hall recombination scenario. Here, the evolution of the ECPL signal was studied for deep trap recombination following Shockley-Read-Hall statistics. Analytic solutions can be obtained for a fast minority trapping regime and steady state recombination. For the steady state case, our results show that the quadratic radiative term plays only a minor role, and that the shape of the measured signal is mostly determined by the non-linearity of the recombination itself. We find that measurements with unbalanced intense pump and probe pulses can directly provide information about the dominant non-radiative recombination mechanism. The signal traces follow the charge carrier concentrations, despite the complex origins of the signal, thus showing that ECPL can be applied to study charge carrier dynamics in semiconductors without requiring elaborate calculations. The model is compared with measurements on a reference sample with alternating layers of InGaAs/InAlAs that were additionally cross-checked with time resolved optical pump terahertz probe measurements and found to be in excellent agreement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Numerical study of the intrinsic recombination carriers lifetime in extended short-wavelength infrared detector materials: A comparison between InGaAs and HgCdTe

Intrinsic carrier lifetime due to radiative and Auger recombination in HgCdTe and strained InGaAs has been computed in the extended short-wavelength infrared (ESWIR) spectrum from 1.7 μm to 2.7 μm. Using the Green's function theory, both direct and phonon-assisted indirect Auger recombination rates as well as the radiative recombination rates are calculated for different cutoff wavelengths at 300 K with full band structures of the materials. In order to properly model the full band structures of strained InGaAs, an empirical pseudo-potential model for the alloy is fitted using the virtual crystal approximation with spin-orbit coupling included. The results showed that for In{sub x}Ga{sub 1−x}As grown on InP substrate, the compressive strain, which presents in the film when the cutoff wavelength is longer than 1.7 μm, leads to decrease of Auger recombination rate and increase of radiative recombination rate. Since the dominant intrinsic recombination mechanism in this spectral range is radiative recombination, the overall intrinsic carrier lifetime in the strained InGaAs alloys is shorter than that in the relaxed material. When compared to the relaxed HgCdTe, both relaxed and compressively strained InGaAs alloys show shorter intrinsic carrier lifetime at the same cutoff wavelength in room temperature which confirms the potential advantage of HgCdTe as wide-band infrared detector material. While HgCdTe offers superior performance, ultimately the material of choice for ESWIR application will also depend on material quality and cost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Distinguishing bulk and surface recombination in CdTe thin films and solar cells using time-resolved terahertz and photoluminescence spectroscopies

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher open circuit voltage (V oc ) and power conversion efficiency in photovoltaic (PV) devices. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but carrier redistribution often dominates the response at short times. In this work, we report on the quantification of carrier dynamics and recombination mechanisms by complementary use of both time-resolved terahertz spectroscopy (TRTS) and TRPL combined with numerical modeling of the continuity equations and Poisson’s equation. We have demonstrated this approach using CdTe thin films. A thin film stack with CdTe fabricated by vapor transport deposition and treated with CdCl 2 exhibited a bulk lifetime of 1.7 ± 0.1 ns, negligible CdTe/CdS interface recombination velocity, and back surface recombination velocity of 6.3 ± 1.3 x10 4 cm/s. In contrast, a film stack without CdCl 2 treatment had a bulk lifetime of only 68 ± 12 ps and a higher interface recombination velocity of 4 ± 2 x10 8 cm/s. By determining the locus and mechanisms of performance-limiting recombination, we can accelerate the development of thin-film PVs with higher V oc and efficiency. While the method has been demonstrated here using CdTe, it is also applicable to perovskites, Cu(InGa)Se 2 , Cu2ZnSn(S,Se) 4, and emerging technologies.

14 SOLAR ENERGY↗
DOE OSTI2023

Evaluation of Potential In Vitro Recombination Events in Codon Deoptimized FMDV Strains

Codon deoptimization (CD) has been recently used as a possible strategy to derive foot-and-mouth disease (FMD) live-attenuated vaccine (LAV) candidates containing DIVA markers. However, reversion to virulence, or loss of DIVA, from possible recombination with wild-type (WT) strains has yet to be analyzed. An in vitro assay was developed to quantitate the levels of recombination between WT and a prospective A24-P2P3 partially deoptimized LAV candidate. By using two genetically engineered non-infectious RNA templates, we demonstrate that recombination can occur within non-deoptimized viral genomic regions (i.e., 3'end of P3 region). The sequencing of single plaque recombinants revealed a variety of genome compositions, including full-length WT sequences at the consensus level and deoptimized sequences at the sub-consensus/consensus level within the 3'end of the P3 region. Notably, after further passage, two recombinants that contained deoptimized sequences evolved to WT. Overall, recombinants featuring large stretches of CD or DIVA markers were less fit than WT viruses. Our results indicate that the developed assay is a powerful tool to evaluate the recombination of FMDV genomes in vitro and should contribute to the improved design of FMDV codon deoptimized LAV candidates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Trap-Assisted Auger-Meitner Recombination from First Principles

Trap-assisted nonradiative recombination is known to limit the efficiency of optoelectronic devices, but the conventional multiphonon emission (MPE) process fails to explain the observed loss in wide-band-gap materials. Here, we highlight the role of trap-assisted Auger-Meitner (TAAM) recombination and present a first-principles methodology to determine TAAM rates due to defects or impurities in semiconductors or insulators. We assess the impact on efficiency of light emitters in a recombination cycle that may include both TAAM and carrier capture via MPE. We apply the formalism to the technologically relevant case study of a calcium impurity in InGaN, where a Shockley-Read-Hall recombination cycle involving MPE alone cannot explain the experimentally observed nonradiative loss. We find that, for band gaps larger than 2.5 eV, the inclusion of TAAM results in recombination rates that are orders of magnitude larger than recombination rates based on MPE alone, demonstrating that TAAM can be a dominant nonradiative process in wide-band-gap materials. Furthermore, our computational formalism is general and can be applied to the calculation of TAAM rates in any semiconducting or insulating material.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Charge Recombination Dynamics in Sensitized SnO 2 /TiO 2 Core/Shell Photoanodes

Studies have been conducted to examine the mechanisms of charge recombination in dye-sensitized SnO 2 /TiO 2 core/shell films. Nanostructured SnO 2 /TiO 2 core/shell films varying in TiO 2 shell thicknesses were prepared via atomic layer deposition and sensitized with a phosphonate-derivatized ruthenium chromophore [Ru(bpy) 2 (4,4$'$-(PO 3 H 2 ) 2 bpy)] 2+ . Transient absorption spectroscopy was used to study the interfacial charge recombination dynamics for these core/shell materials. Charge recombination for sensitized, as-deposited SnO 2 /TiO 2 core/shell systems is dominated by a tunneling mechanism for shell thicknesses between 0 and 3.2 nm, with $β$ = 0.25 Å–1. For shell thicknesses greater than 3.2 nm, recombination primarily proceeds directly via electrons localized in the relatively thick TiO 2 shell. Annealing the SnO 2 /TiO 2 core/shell structure at 450°C affects the recombination dynamics substantially; charge recombination dynamics for the annealed films do not show a dependence on shell thickness and are comparable to ZrO 2 /TiO 2 control samples, suggesting the annealing process perturbs the core/shell interface. This analysis of charge recombination dynamics indicates that there is an optimum shell thickness to maximize charge separation lifetimes in dye-sensitized core/shell photoanodes and that the nature of the core/shell interface influences the efficacy of these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Recombination of Autodissociated Water Ions in a Nanoscale Pure Water Droplet

The recombination of water ions has diverse scientific and practical implications, ranging from acid-base chemistry and biological systems to planetary environments and applications in fuel cell and carbon conversion technologies. While spatial confinement affects the physicochemical properties of water dynamics, its impact on the recombination process has rarely been studied. In this work, we investigate the dynamics of water, the water ion distribution, and the ion recombination process in water droplets as a function of droplet size through molecular dynamics simulations and adaptive quantum mechanical/molecular mechanical calculations. We compare the dynamics of recombination in water droplet sizes ranging from 100 to 18 000 waters, both in their interiors and on their surfaces. We found that the self-diffusion of water dramatically decreases in droplets with a diameter below 2.2 nm. Using a classical RexPoN force-field, we found that the ions in 1000 H2O's spend almost 50% of the time on the surface and 0.5 nm beneath it with a slight preference for OH- ion to reside longer on the surface. We estimate that, on average, recombination in these drops occurs at 400 ps in 1000 H2O's and 1 ns in 3000 H2O's. We also found that recombination is not limited by the local structure of the surface or the size of the droplet but can be influenced by the geometry of the water wire connecting the ions as they approach each other, which can often prevent recombination. Our results provide insights to the reaction microenvironments presented by nanoscopic water droplets.

Kwon, Soonho↗