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At least 325 records · Page 18

Editorial: Phenylpropanoid Systems Biology and Biotechnology

Phenylpropanoids are specialized metabolites involved in several aspects of plant growth and development and in the responses of plants to environmental stimuli. These compounds are synthesized from key intermediates of the shikimate pathway, which are structurally modified by the combined activities of lyases, transferases, ligases, reductases and oxygenases, resulting in the organ- and developmental-specific synthesis and accumulation of diverse metabolites (Vogt, 2010). The phenylpropanoid pathway provides the building blocks for lignin, suberin, and condensed tannins that play a role in structural support and mechanical strength. Lignin is a major contributor to feedstock recalcitrance and negatively affects the conversion of plant biomass into downstream products in biorefineries (Liu et al., 2021). Further, this pathway is key for the production of anthocyanins for organ pigmentation, flavonols and flavones for UV protection, various flavonoids and isoflavonoids for plant-microbe interactions, and antimicrobial phytoalexins for protection against pathogens (Deng and Lu, 2017). In addition to their biological functions in planta, phenylpropanoids are economically important metabolites. They constitute important components in the human diet, acting as nutraceutical compounds with antioxidant, chemopreventive, antimitotic, neuroprotective, cardioprotective, and anti-inflammatory activities. Several phenylpropanoids are considered high-value biochemicals employed in the production of fragrances, pharmaceuticals and biopolymers (Lin and Eudes, 2020).

59 BASIC BIOLOGICAL SCIENCES↗

Evolutionary significance of osmoregulatory mechanisms in cyanobacteria

Physiological processes of all life forms on this planet are intrinsically related to their intracellular water potential. The overall goal was the elucidation of the mechanism(s) whereby the first oxygenic phtoautotrophs (the cyanobacteria) adjust their water potential to that of a changing external water potential (that is, osmoregulate). Osmoregulation is achieved by intracellular adjustment of inorganic and/or organic solutes (osmolytes) involving specific biochemical mechanisms. Structural and biochemical evolution within the cyanobacteria is believed completed (and fixed in present day forms) by the end of the Precambrain eon. Therefore, research using cyanobacteria of all three structural types (unicellular, filamentous, and branched), each grown in the photoautotrophic (PA), photoheterotrophic (PG), and chemotrophic (CH) modes of nutrition, should provide insight into the origin and evolution of the photosynthetically related osmoregulatory mechanisms of eukaryotic organisms. The chloroplasts of these organisms are phylogenetically related to the cyanobacteria.

Yopp, J. H.↗

2021-2026 Weapons Research Services Strategic Plan

The Weapons Research Services (WRS) Division provides Los Alamos National Laboratory with services, resources, and staff that are critical to fulfilling its national security mission. WRS serves the entire LANL Weapons Program and is housed within the Weapons Physics Directorate (ALDX), which is at the core of the design, certification, and assessment of the nation’s nuclear weapons. More specifically, WRS is a research and development organization that provides unique tools designed to meet the specific needs of the Lab’s weapons mission rather than administrative or Information & Technology (IT) tools used broadly by the Lab. WRS partners with other LANL organizations, including Global Security to conduct mission research and I&T organizations to meet basic IT infrastructure needs.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Summary of Responses to the Request for Information (RFI) on Partnerships for Transformational Artificial Intelligence Models

The Department of Energy (DOE) issued a Request for Information (RFI) in December 2025 inviting public comments regarding partnerships for transformational Artificial Intelligence (AI) models for the Genesis Mission Consortium, a public-private partnership platform. This RFI solicited feedback from industry, nonprofit organizations, universities, independent research organizations and other stakeholders. Specifically, the RFI asked three questions on (1) mobilizing DOE National Laboratories to curate the scientific data in a responsible and privacy-preserving manner, (2) the extent to which existing general-purpose AI models can be leveraged and which scientific disciplines are priorities for such model development, and (3) mechanisms by which these AI models can be provided to scientific communities. This document summarizes the input from 194 unique nonproprietary responses from businesses, universities, nonprofit organizations, research institutes and laboratories as well as a variety of other contributors, including individual contributions.

97 MATHEMATICS AND COMPUTING↗

A Conceptual Enterprise Framework for Managing Scientific Data Stewardship

Scientific data stewardship is an important part of long-term preservation and the use/reuse of digital research data. It is critical for ensuring trustworthiness of data, products, and services, which is important for decision-making. Recent U.S. federal government directives and scientific organization guidelines have levied specific requirements, increasing the need for a more formal approach to ensuring that stewardship activities support compliance verification and reporting. However, many science data centers lack an integrated, systematic, and holistic framework to support such efforts. The current business- and process-oriented stewardship frameworks are too costly and lengthy for most data centers to implement. They often do not explicitly address the federal stewardship requirements and/or the uniqueness of geospatial data. This work proposes a data-centric conceptual enterprise framework for managing stewardship activities, based on the philosophy behind the Plan-Do-Check-Act (PDCA) cycle, a proven industrial concept. This framework, which includes the application of maturity assessment models, allows for quantitative evaluation of how organizations manage their stewardship activities and supports informed decision-making for continual improvement towards full compliance with federal, agency, and user requirements.

Scientific data stewardship↗

A new platform for development of photosystem I based thin films with superior photocurrent: TCNQ charge transfer salts derived from ZIF-8

The transmembrane photosynthetic protein complex Photosystem I (PSI) is highly sought after for incorporation into biohybrid photovoltaic devices due to its remarkable photoactive electrochemical properties, chiefly driving charge separation with ~1 V potential and ~100% quantum efficiency. In pursuit of these integrated technologies, three factors must be simultaneously tuned, namely, direct redox transfer steps, three-dimensional coordination and stabilization of PSI aggregates, and interfacial connectivity with conductive pathways. Building on our recent successful encapsulation of PSI in the metal–organic framework ZIF-8, herein we use the zinc and imidazole cations from this precursor to form charge transfer complexes with an extremely strong organic electron acceptor, TCNQ. Specifically, the PSI-Zn-H 2 mim-TCNQ charge transfer salt complex was drop cast on ITO to form dense films. Subsequent voltammetric cycling induced cation exchange and electrochemical annealing of the film was used to enhance electron conductivity giving rise to a photocurrent in the order of 15 μA cm -2 . This study paves the way for a myriad of future opportunities for successful integration of this unique class of charge transfer salt complexes with biological catalysts and light harvesters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Feedback on the Electric Emergency Incident and Disturbance Report, OE-417

The US Department of Energy (DOE) Office of Electricity (OE) mandates requirements for reporting electric emergencies and disruptions in the United States. Specific electric power industry organizations (such as balancing authorities, reliability coordinators, some generating entities, and electric utilities) report this information through the OE-417 Electric Emergency Incident and Disturbance Report via Form OE-417. Entities are required to submit Form OE-417 when at least one of the qualifying 26 criteria is met pursuant to Section 13(b) of the Federal Energy Administration Act of 1974 (Public Law 93-275). Entities are required to report, within 6 hours of the incident, loss of electric service to 50,000 customers or more for 1 hour or longer. The deadline for submitting Form OE-417 depends on the nature of the incident. An updated Form OE-417 Schedule 1 and all of Schedule 2 are both due within 72 hours of the incident to provide complete disruption information. Additionally, a Final Report must be filed within 72 hours of the incident, unless an interim update has been provided. If the incident meets specific criteria, the form must be filed within one hour, six hours, or by the later of 24 hours after the recognition of the incident or by the end of the next business day.1 The ability of DOE to respond quickly to energy emergencies that could affect the nation’s infrastructure and help alleviate or prevent further disruptions depends on the industry’s prompt and complete submission of information. This report summarizes current issues with Form OE-417 and the reporting process and presents recommendations for improvements.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Energy-Efficient Selective Removal of Metal Ions from Mining Influenced Waters (MIW) Using H-Bonded Organic-Inorganic Framework (HOIFS) (CRADA Final Report)

The work developed a hydrogen-bonded organic–inorganic framework (HOIF), specifically zinc imidazole salicylaldoxime supramolecule (ZIOS), for selective Cu removal and recovery from acidic mining-impacted waters (AMD), with emphasis on scalable synthesis, membrane integration, durability in real AMD (RAMD), mechanistic understanding, and recovery/regeneration pathways. This research breaks new ground in selective resource recovery from AMD waters – no other sorbents can operate reliably in this pH range. This project is unique in what it has delivered and is of general use to the public for projects relating to critical materials recovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Benched: Upgrading and Updating the Los Alamos Benchmark Suite for the 21st Century [Slides]

The presentation begins by stating that most organizations make choices to handle specific things when preparing input files for validation, such as which elemental abundance data to use, how to decompose specific elements, and setting calculation precision. It also discusses the consequences, which include differing calculation results between different organizations for the same case, even when using the same code. This is illustrated by the intercomparison exercise and input files that are prepared by one organization and are not necessarily correct for another. The presentation explains that the Los Alamos Benchmark Suite is a centralized repository of high-quality benchmark models currently under development at LANL. The objectives of the new repository are to remain up to date with the latest ICSBEP revision, to have a formal review and revision process, to (eventually) be an open-source repository, and to provide new tools for improved input and output file generation and review.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Idyllic Workplace

How many of us have worked in organizations where the discipline was so rigid and unyielding that it would send even a Marine Corps Drill Instructor screaming into the night? How many of us have worked in organizations where sightings of senior management were sporadic and rare, and any other interactions were by appointment only? Or, how many of us have worked in organizations where your role, absent specific direction, was to be seldom seen and rarely heard? And how many of us have worked in organizations where seemingly light itself was not permitted to escape without the acquiescence and approval of the director? Sadly, there are organizations that embody some of these conditions, and the resultant adverse effects on employee productivity, creativity and morale are profound. But what if you could work in an organization in which there was little hierarchy, where rank and seniority played no part, where there were no closed meetings or doors, where everyone knows what was expected of them, and where creativity was not only tolerated but encouraged and celebrated? Was there ever such a place? There was, and it was known as NASA's Space Station Task Force. I was fortunate enough to work there for a time, and I would like to tell you how this organization with few apparent rules led to incredibly high levels of employee satisfaction and fulfillment, and yielded work products of enduring quality. On May 20, 1982, NASA Administrator James M. Beggs established the Space Station Task Force under the direction of John D. Hodge. The Task Force was charged with the responsibility for "the development of the programmatic aspects of a Space Station as they evolve, including mission analysis, requirements definition and program management," and was authorized to draw on Space Station activities at the NASA Program Offices and Field Centers. No additional conditions or directions were provided. Hodge knew that in order to accomplish the job he had been given, he was going to have to obtain the services of the "best and the brightest" and facilitate the unleashing of the full force of their creative capabilities. In order to avoid the stultifying effects of a typical hierarchical organization, he set up a loosely structured, horizontal organization with only one supervisor of record - himself. He populated this organization with detailees from Headquarters, the field Centers and the Jet Propulsion Lab, thereby assuring himself of the political and technical expertise with which to deal with Congress and the bureaucracy, and conduct the required engineering studies and analyses.

Schoenfelder, Tony E.↗

Ground Based Experiments in Support of Microgravity Research Results-Vapor Growth of Organic Nonlinear Optical Thin Film

This work is specifically focused on explaining previous results obtained for the crystal growth of an organic material in a reduced gravity environment. On STS-59, in April 1994, two experiments were conducted with N,N-dimethyl-p-(2,2-dicyanovinyl) aniline (DCVA), a promising nonlinear optical (NLO) material. The space experiments were set to reproduce laboratory experiments that yielded small, bulk crystals of DCVA. The results of the flight experiment, however, were surprising. Rather than producing a bulk single crystal, the result was the production of two high quality, single crystalline thin films. This result was even more intriguing when it is considered that thin films are more desirable for NLO applications than are bulk single crystals. Repeated attempts on the ground to reproduce these results were fruitless. A second set of flight experiments was conducted on STS-69 in September 1995. This time eight DCVA experiments were flown, with each of seven experiments containing a slight change from the first reference experiment. The reference experiment was programmed with growth conditions identical to those of the STS-59 mission. The slight variations in each of the other seven were an attempt to understand what particular parameter was responsible for the preference of thin film growth over bulk crystal growth in microgravity. Once again the results were surprising. In all eight cases thin films were grown again, albeit with varying quality. So now we were faced with a phenomenon that not only takes place in microgravity, but also is very robust, resisting all attempts to force the growth of bulk single crystals.

Zugrav, M. Ittu↗

Design and fabrication of TiO 2 -based dye sensitized solar cells using plant-derived organic dyes

The utilization of solar energy, an abundant and renewable resource, shows great promise. Various technologies have been employed to capture this vast energy potential. In this study, the effectiveness of natural dye-sensitized solar cells (DSSCs) was explored through experimental and computational methods. Organic dyes derived from specific plant species were examined, with a solvent mixture of ethanol, methanol, and tetrahydrofuran used for extraction. A UV–vis spectrophotometer was utilized to measure the sensitizers’ optical characteristics. The study employed density functional theory (DFT), implemented in Gaussian 09 W software, to perform computational calculations. The B3LYP method and a basis set of 6-31G++(d,p) were chosen for optimizing the geometries and energetics of dye molecules. The DFT results indicated that the dye molecules had a bandgap in the range of 2.16–2.38 eV. The photochemical performance of all four fabricated DSSC-based devices was evaluated to be between 0.33% and 1.04%, and the Euryops pectinatus sensitizer demonstrated the highest efficiency of 1.04% among the studied sensitizers.

36 MATERIALS SCIENCE↗

Microevolution in the pansecondary metabolome of Aspergillus flavus and its potential macroevolutionary implications for filamentous fungi

Significance Secondary metabolites (SMs) produced by fungi mediate ecological interactions, define fungal niches, and are of profound pharmacological importance to humans. Most work on SMs has focused on a small number of individuals from each species, not fully reflecting the importance of intraspecific diversity. We demonstrate that even in one of the best-studied model fungi, the carcinogen-producing Aspergillus flavus , more than 25% of SM-producing biosynthetic gene clusters (BGCs) are novel and/or show population-specific variants. These results support the finding that the organization of BGC diversity into population-specific patterns may sometimes result from ecologically important interactions and may inform evolutionary and etiological inferences of SM capacities within a species. Importantly, our work also presents a vision of sources of potential pharmaceuticals.

59 BASIC BIOLOGICAL SCIENCES↗

Design of a custom vapor transport co-deposition system for scalable production of perovskite solar cells

Vacuum-deposited perovskites provide a more direct path to manufacturing large area solar cells because of ready compatibility with multilayered architectures and historic use in the electronics industry. However, vacuum compatible co-deposition of organic-inorganic perovskites remains difficult due to issues of precisely controlling the organic precursor flux. Here, we demonstrate a manufacturing prototype specifically designed for co-depositing organic-inorganic perovskites and evaluate it with respect to the influence of process parameters on film growth. Through depositing and characterizing methylammonium lead iodide (MAPbI3) perovskite films, we highlight the necessary design requirements while measuring the influence of film growth parameters on deposition rate and perovskite phases.

14 SOLAR ENERGY↗

Utilizing Ion-Mobility Data to Estimate Molecular Masses

A method is being developed for utilizing readings of an ion-mobility spectrometer (IMS) to estimate molecular masses of ions that have passed through the spectrometer. The method involves the use of (1) some feature-based descriptors of structures of molecules of interest and (2) reduced ion mobilities calculated from IMS readings as inputs to (3) a neural network. This development is part of a larger effort to enable the use of IMSs as relatively inexpensive, robust, lightweight instruments to identify, via molecular masses, individual compounds or groups of compounds (especially organic compounds) that may be present in specific environments or samples. Potential applications include detection of organic molecules as signs of life on remote planets, modeling and detection of biochemicals of interest in the pharmaceutical and agricultural industries, and detection of chemical and biological hazards in industrial, homeland-security, and industrial settings.

Duong, Tuan↗

Mapping the Complete Reaction Energy Landscape of a Metal–Organic Framework Phase Transformation

Crystalline materials undergo valuable phase transformations, and the energetic processes that underlie these transformations can be fully characterized through a combination of thermodynamic and kinetic studies. Here, we report the first complete reaction energy landscape of metal–organic framework (MOF) interpenetration, specifically in the phase transformation of NU-1200 to its doubly interpenetrated counterpart, STA-26. We characterized the thermodynamics of this phase transformation by pairing experiments with density functional theory (DFT) calculations. This analysis revealed that factors such as the increase in crystal density likely drive Zr- and Hf-NU-1200 to STA-26 interpenetration, while other chemical interactions such as steric repulsions prevent Th-NU-1200 from interpenetrating. Using time-resolved in situ X-ray diffraction, we monitored phase transformation reaction profiles and extracted quantitative kinetic information using the Avrami-Erofe’ev model. As a result, we obtained activation energies for the Zr- and Hf-NU-1200 transformations to Zr- and Hf-STA-26, respectively, revealing slower phase change kinetics for MOFs with stronger bonds. Finally, we paired the kinetic data with experimental observations to classify the mechanistic model of this phase transformation as partial dissolution. Here, we anticipate that this thermodynamic, kinetic, and mechanistic understanding will broadly inform further studies on the energetics of crystallization.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Iron mineral dissolution releases iron and associated organic carbon during permafrost thaw

It has been shown that reactive soil minerals, specifically iron(III) (oxyhydr)oxides, can trap organic carbon in soils overlying intact permafrost, and may limit carbon mobilization and degradation as it is observed in other environments. However, the use of iron(III)-bearing minerals as terminal electron acceptors in permafrost environments, and thus their stability and capacity to prevent carbon mobilization during permafrost thaw, is poorly understood. We have followed the dynamic interactions between iron and carbon using a space-for-time approach across a thaw gradient in Abisko (Sweden), where wetlands are expanding rapidly due to permafrost thaw. We show through bulk (selective extractions, EXAFS) and nanoscale analysis (correlative SEM and nanoSIMS) that organic carbon is bound to reactive Fe primarily in the transition between organic and mineral horizons in palsa underlain by intact permafrost (41.8 ±10.8 mg carbon per g soil, 9.9 to 14.8% of total soil organic carbon). During permafrost thaw, water-logging and O 2 limitation lead to reducing conditions and an increase in abundance of Fe(III)-reducing bacteria which favor mineral dissolution and drive mobilization of both iron and carbon along the thaw gradient. By providing a terminal electron acceptor, this rusty carbon sink is effectively destroyed along the thaw gradient and cannot prevent carbon release with thaw.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pore Structures in Detritusphere of Soils Under Switchgrass and Restored Prairie Vegetation Community

Root detritusphere, that is, the soil in the vicinity of decomposing root residues, plays an important role in soil microbial activity and C sequestration. Pore structure (size distributions and connectivity of soil pores) in the detritusphere serves as a major driver for these processes and, in turn, is influenced by the physical characteristics of both soil and roots. This study compared pore structure characteristics in the root detritusphere of soils of contrasting texture and mineralogy subjected to > 6 years of contrasting vegetation: monoculture switchgrass and polyculture prairie systems. Soil samples were collected from five experimental sites in the US Midwest representing three soil types. Soil texture and mineralogy were measured using a hydrometer and x-ray powder diffraction, respectively. The intact cores were scanned with x-ray computed micro-tomography to identify visible soil pores, biopores, and particulate organic matter (POM). We specifically focused on pore structure within the detritusphere around the POM of root origin. Results showed that the detritusphere of coarser textured soils, characterized by high sand and quartz contents, had lower porosity in the vicinity of POM compared with finer textured soils. POM vicinities in finer textured soils had high proportions of large (> 300 μm diameter) pores, and their pores were better connected than in the coarser soils. Lower porosity in the outer (> 1 mm) parts of the detritusphere of switchgrass than of prairie suggested soil compaction by roots, with the effect especially pronounced in the coarser soils. Here, the results demonstrated that soil texture and mineralogy played a major, while vegetation played a more modest, role in defining the pore structure in the root detritusphere.

54 ENVIRONMENTAL SCIENCES↗