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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Analog Video Authentication and Seal Verification Equipment Development

Under contract to the US Department of Energy in support of arms control treaty verification activities, the Savannah River National Laboratory in conjunction with the Pacific Northwest National Laboratory, the Idaho National Laboratory and Milagro Consulting, LLC developed equipment for use within a chain of custody regime. This paper discussed two specific devices, the Authentication Through the Lens (ATL) analog video authentication system and a photographic multi-seal reader. Both of these devices have been demonstrated in a field trial, and the experience gained throughout will also be discussed. Typically, cryptographic methods are used to prove the authenticity of digital images and video used in arms control chain of custody applications. However, in some applications analog cameras are used. Since cryptographic authentication methods will not work on analog video streams, a simple method of authenticating analog video was developed and tested. A photographic multi-seal reader was developed to image different types of visual unique identifiers for use in chain of custody and authentication activities. This seal reader is unique in its ability to image various types of seals including the Cobra Seal, Reflective Particle Tags, and adhesive seals. Flicker comparison is used to compare before and after images collected with the seal reader in order to detect tampering and verify the integrity of the seal.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2012

Insights Gained for Updating an Analog I&C System to a Digital System

Licensees at both Nuclear Power Plants (NPPs) and Non-Power Reactors (NPRs) are increasing their use of state-of-the-art digital technology in instrumentation and control (I&C) systems because digital systems offer improved reactor control, information processing, and information storage over analog. Digital I&C systems can range from experimental systems for reactor control research (at NPRs), to measurement and display systems, to complete reactor console replacements. Because of the increasing difficulty in finding spare parts for their original analog I&C systems, many licensees have begun or have plans to upgrade, refurbish, or replace their old analog I&C systems with digital systems. The perception is that upgrading to a digital I&C system will solve all of a facility s obsolescence problems. However, licensees need to be aware of several issues associated with upgrading to a digital system including obsolescence of the digital system (hardware and software) because of the short product life cycle and the associated cost to acquire, store, and maintain a long-term supply of spare parts. Configuration management and cyber security are also vitally important for any upgrade. Further, it must be recognized that the introduction of software and microprocessors could create new failure mechanisms, such as software errors and increased susceptibility to electromagnetic interference. In fact, experience has shown that these failure mechanisms may cause the reactor to malfunction in a way not previously considered. Thus, a conversion from analog to digital I&C systems solves some problems while potentially introducing others. Recognition of the additional risks coupled with good design, engineering, review, and testing can identify and minimize these risks.

Adams, A.↗
DOE OSTI2013

Method and apparatus for low power analog-to-digital conversion

A method and apparatus for analog-to-digital conversion. An Analog-to-Digital Converter (ADC) includes M ADC.sub.j, j=1, 2, . . . , M. Each ADC.sub.j comprises a number of cells each of which comprises a first switch, a second switch, a current sink and an inverter. An inverter of a cell in an ADC.sub.j changes state in response to a current associate with an input signal of the ADC.sub.j exceeding a threshold, thus switching on the next cell. Each ADC.sub.j is enabled to perform analog-to-digital conversion on a residual current of a previous ADC.sub.j-1 after the previous ADC.sub.j-1 has completed its analog-to-digital conversion and has been disabled.

42 ENGINEERING↗
DOE OSTI2012

Organic scintillation detector response simulation using non-analog MCNPX-PoliMi

Organic liquid scintillation detectors are valuable for the detection of special nuclear material since they are capable of detecting both neutrons and gamma rays. Scintillators can also provide energy information which is helpful in identification and characterization of the source. In order to design scintillation based measurement systems appropriate simulation tools are needed. MCNPX-PoliMi is capable of simulating scintillation detector response; however, simulations have traditionally been run in analog mode which leads to long computation times. In this paper, non-analog MCNPX-PoliMi mode which uses variance reduction techniques is applied and tested. The non-analog MCNPX-PoliMi simulation test cases use source biasing, geometry splitting and a combination of both variance reduction techniques to efficiently simulate pulse height distribution and then time-of-flight for a heavily shielded case with a {sup 252}Cf source. An improvement factor (I), is calculated for distributions in each of the three cases above to analyze the effectiveness of the non-analog MCNPX-PoliMi simulations in reducing computation time. It is found that of the three cases, the last case which uses a combination of source biasing and geometry splitting shows the most improvement in simulation run time for the same desired variance. For pulse height distributions speedup ranging from a factor 5 to 25 is observed, while for time-of-flights the speedup factors range from 3 to 10. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Analog neutron transport for nuclear instrumentation applications with the Monte-Carlo code TRIPOLI-4 - Paper 3

Monte-Carlo codes simulating particle transport usually make use of well-known variance reduction techniques, leading to more efficient simulations. Even in configurations which do not deal with deep-penetration, some of these techniques, such as the implicit capture, are actually often used by default. The statistical weight of the simulated particles is then modified in order to take into account the modification of the sampling without introducing any bias in the estimation process. For instance, the implicit capture decreases the statistical weight of the particles at each collision, whereas the sampling of a single outgoing particle increases this statistical weight in case of scattering reactions producing multiple neutrons. In addition, Russian roulette and splitting operations, which are usually also played at each collision, lead to other modifications of the statistical weights. As a result, Monte-Carlo codes provide particle histories that are valid on average, but collect statistical weights which differ from 1, when tallying the estimation of the quantities of interest. Yet, some nuclear instrumentation calculations inherently need to work with statistical weights equal to 1, since either individual events have to be collected (such as the arrival of a particle at a detector, the measurement of a time of flight, etc), or the coincidence of events or also correlations between individual events have to be taken into account. To address these specific applications with Monte-Carlo simulation codes, users need a full analog simulation mode. The continuous-energy Monte-Carlo code TRIPOLI4{sup R} is mainly dedicated to shielding, reactor physics and criticality safety calculations. Its capabilities have recently been extended to widen its use to nuclear instrumentation with the possibility of γ-spectrometry calculations and the simulation of photonuclear reactions for instance. Other features needed by nuclear instrumentation applications have been available in TRIPOLI-4 for a long time, such as the sampling of the time variable and the possibility of tallying in a time grid for most of the available tallies (fluxes, reaction rates, dose equivalent rates, energy depositions, etc). In TRIPOLI-4, the transport between two consecutive collisions is analog if no variance reduction technique is requested by the user to handle deep-penetration configurations. However, up to the version 9 of the code, the collision itself is sampled in a non-analog way. This paper presents a first implementation of a full analog neutron transport mode in TRIPOLI-4, preliminary verification results and an application of this functionality to the simulation of the Nucifer detector located in Saclay, France. It should be noted that only neutron transport is dealt with in this work and that all nuclear data come from JEFF-3.1.1 or ENDF/B-VII.0 evaluations, including fission data when needed. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

Comparison of analog and digital pulse-shape-discrimination systems

Pulse shape discrimination (PSD) performance of two optimized PSD systems (one digital and one analog) is compared in this work. One system uses digital charge integration, while the other system uses analog zero crossing. Measurements were conducted with each PSD system using the CAEN V1720 (250 MHz) data acquisition system. An organic-liquid scintillator, coupled to a photo-multiplier tube, was used to detect neutrons and gamma rays from a Cf-252 spontaneous-fission source. The PSD perfor-mance of both systems was optimized and quantified using a traditional figure-of-merit (FOM) approach. FOM's were found for three, 300 keVee light-output bins, spanning from 100 to 1000 keVee, and one larger bin from 100 to 1800 keVee. Digital PSD outperformed analog PSD in the lowest light-output bin by approximately 50%, and by 11% for the highest light-output bin.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Identification of Unique Fragmentation Patterns of Fentanyl Analog Protomers Using Structures for Lossless Ion Manipulations Ion Mobility-Orbitrap Mass Spectrometry

The opioid crisis in the United States is being fueled by the rapid emergence of new fentanyl analogs and precursors that can elude traditional library-based screening methods, which require data from known reference compounds. Since reference compounds are unavailable for new fentanyl analogs, we examined if fentanyls (fentanyl + fentanyl analogs) could be identified in a reference-free manner using a combination of electrospray ionization (ESI), high-resolution ion mobility (IM) spectrometry, high-resolution mass spectrometry (MS), and higher-energy collision-induced dissociation (MS/MS). We analyzed a mixture containing nine fentanyls and W-15 (a structurally similar molecule) and found that the protonated forms of all fentanyls uniquely exhibited two baseline separated IM distributions that produced different MS/MS patterns. Upon fragmentation, both IM distributions of all fentanyls produced two high intensity fragments resulting from amine site cleavages. The higher mobility distributions of all fentanyls also produced several low intensity fragments, but surprisingly, these same fragments exhibited much greater intensities in the lower mobility distributions. This observation demonstrates that many fragments of fentanyls predominantly originate from one of two different gas-phase structures (suggestive of protomers). Furthermore, increasing the water concentration in the ESI solution increased the intensity of the lower mobility distribution relative to the higher mobility distribution, which further supports that fentanyls exist as two gas-phase protomers. In conclusion, our new observations on the IM and MS/MS properties of fentanyls can be exploited to positively identify them as fentanyls without requiring reference libraries and will hopefully assist first responders and law enforcement in combating new and emerging fentanyls.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Decoupling of catalysis and transition state analog binding from mutations throughout a phosphatase revealed by high-throughput enzymology

Using high-throughput microfluidic enzyme kinetics (HT-MEK), we measured over 9,000 inhibition curves detailing impacts of 1,004 single-site mutations throughout the alkaline phosphatase PafA on binding affinity for two transition state analogs (TSAs), vanadate and tungstate. As predicted by catalytic models invoking transition state complementary, mutations to active site and active-site-contacting residues had highly similar impacts on catalysis and TSA binding. Unexpectedly, most mutations to more distal residues that reduced catalysis had little or no impact on TSA binding and many even increased tungstate affinity. These disparate effects can be accounted for by a model in which distal mutations alter the enzyme’s conformational landscape, increasing the occupancy of microstates that are catalytically less effective but better able to accommodate larger transition state analogs. In support of this ensemble model, glycine substitutions (rather than valine) were more likely to increase tungstate affinity (but not more likely to impact catalysis), presumably due to increased conformational flexibility that allows previously disfavored microstates to increase in occupancy. These results indicate that residues throughout an enzyme provide specificity for the transition state and discriminate against analogs that are larger only by tenths of an Ångström. Thus, engineering enzymes that rival the most powerful natural enzymes will likely require consideration of distal residues that shape the enzyme’s conformational landscape and fine-tune active-site residues. Biologically, the evolution of extensive communication between the active site and remote residues to aid catalysis may have provided the foundation for allostery to make it a highly evolvable trait.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Training a Neural Network on Analog TaO x ReRAM Devices Irradiated With Heavy Ions: Effects on Classification Accuracy Demonstrated With CrossSim

The image classification accuracy of a TaO x ReRAM-based neuromorphic computing accelerator is evaluated after intentionally inducing a displacement damage up to a fluence of 10 14 2.5-MeV Si ions/cm 2 on the analog devices that are used to store weights. Results are consistent with a radiation-induced oxygen vacancy production mechanism. When the device is in the high-resistance state during heavy ion radiation, the device resistance, linearity, and accuracy after training are only affected by high fluence levels. Here, the findings in this paper are in accordance with the results of previous studies on TaO x -based digital resistive random access memory. When the device is in the low-resistance state during irradiation, no resistance change was detected, but devices with a 4-kΩ inline resistor did show a reduction in accuracy after training at 10 14 2.5-MeV Si ions/cm 2 . This indicates that changes in resistance can only be somewhat correlated with changes to devices’ analog properties. This paper demonstrates that TaO x devices are radiation tolerant not only for high radiation environment digital memory applications but also when operated in an analog mode suitable for neuromorphic computation and training on new data sets.

42 ENGINEERING↗
DOE OSTI2024

Pareto Optimization of Analog Circuits Using Reinforcement Learning

Analog circuit optimization and design presents a unique set of challenges in the IC design process. Many applications require the designer to optimize for multiple competing objectives, which poses a crucial challenge. Motivated by these practical aspects, we propose a novel method to tackle multi-objective optimization for analog circuit design in continuous action spaces. In particular, we propose to (i) extrapolate current techniques in Multi-Objective Reinforcement Learning to continuous state and action spaces and (ii) provide for a dynamically tunable trained model to query user defined preferences in multi-objective optimization in the analog circuit design context.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2011

Water Power Calculator Temperature and Analog Input/Output Module Ambient Temperature Testing

Water Power Calculator Temperature and Analog input/output Module Ambient Temperature Testing A series of three ambient temperature tests were conducted for the Water Power Calculator development using the INL Calibration Laboratory’s Tenney Environmental Chamber. The ambient temperature test results demonstrate that the Moore Industries Temperature Input Modules, Analog Input Module and Analog Output Module, ambient temperature response meet or exceed the manufactures specifications

42 ENGINEERING↗
DOE OSTI2024

Visualization of lignification in flax stem cell walls with novel click-compatible monolignol analogs

As an essential part of plant cell walls, lignin provides mechanical support for plant growth, enhances water transport, and helps to defend against pathogens. As the most abundant natural aromatic-based renewable resource on earth, its biosynthesis has always been a research focus, and it is still currently under study. In this study, the p-coumaryl alcohol analog (H ALK ) and the coniferyl alcohol analog (G ALK ) containing an alkyne group at the ortho position were synthesized and applied to lignification in vivo and in vitro. The incorporation of these novel lignin monomers was observed via fluorescence imaging. It was found that the two monolignol analogs could be incorporated in dehydrogenated polymers (DHPs) in vitro and in flax cell walls in vivo. The results showed that as the cultivation time and precursor concentration varied, the deposition of H and G-type lignin exhibited differences in deposition mode. At the subcellular scale, the deposited lignin first appears in the cell corner and the middle lamella, and then gradually appears on the cell walls. Furthermore, lignin was also found in bast fiber. It was demonstrated that these new molecules could provide high-resolution localization of lignin during polymerization.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

The Lunar Regolith Terrain (LRT) Field: A New Lunar Surface Planetary Analog Facility at NASA Marshall Space Flight Center (MSFC)

Introduction: NASA is moving toward a new age of exploration and resource utilization of the lunar surface. Challenges related to exploration, resource utilization, and construction at the Lunar South Pole will require advanced technology and well-designed mission concepts and operations. NASA Marshall Space Flight Center (MSFC) has added new capabilities to support surface mobility and construction activities to meet industry, academia, and NASA research and development goals for lunar applications. The Lunar Regolith Terrain (LRT) field is a new, large-area, lunar regolith simulant planetary analog testing ground for users interested in surface mobility and lunar construction activities. The LRT complements NASA MSFC’s other lunar environment testing facilities such as the Lunar Surface Simulator (V20 dirty vacuum chamber), the Lunar Environment Testing System (LETS), among many others. Lunar Regolith Terrain (LTR) Description: The Lunar Regolith Terrain field is an outdoor planetary analog environment facility located on base at MSFC. The lunar regolith simulant is JSC-1A feedstock material (volcanic cinder sand sourced from Meriam Crater, Flagstaff, AZ). The field contains more than 500 tons of lunar regolith simulant confined within a 125 ft x 125 ft (38 m x 38 m) area. The field is placed ~ 50% over paved parking lot and ~ 50% over a natural ground. Currently, the depth of regolith ranges between ~ 5 in - ~ 4 ft (~ 13cm – 1.2m) but can be modified to suit user needs. The lunar regolith simulant that makes up the field has representative geotechnical, geochemical, and optical properties of lunar mare basalt. An area within the LRT of lunar highlands terrain simulant is planned. Additional Features of the LRT: The LRT was designed to allow rapid modification of the terrain’s topography obstacles in the field. The terrain can be reshaped to suit specific testing requirements that may require flat expanses, steep hills, or heavily cratered and rocky landscapes. Large rocky obstacles in Fig. 1 are artificial landscape boulders (faux-rocks) that can be easily placed by users or removed entirely. Areas of the field also contain buried fiducials, large sheets, bar stock, and pipes of various composition and dimensions to allow for possible ground penetrating radar and shallow seismic studies. Rapid modification capabilities will also allow for burial of additional user-specific materials to enable in-situ resource utilization detection (e.g., burial of hydrogen sources for neutron detection or other materials). The field is also equipped with on-site office space with an air-conditioned and heated trailer with 120/240V power and lighting. The site has Wi-Fi and Cellular signal coverage. Direct radio frequency communication with the Huntsville Operations Support Center (HOSC) is in development. Additional on-site workspace and secure equipment storage is available in adjacent buildings. Accessibility to the field is straightforward with on-site parking and access for delivery of instruments, payloads, and additional equipment. Community Availability: The LRTF provides an accessible planetary analog surface environment for surface mobility testing, autonomous roving operations, developing advanced navigation techniques and operations development. Interested parties can contact the abstract authors for additional details, tours, and scheduling.

Lunar Regolith↗
NASA NTRS2023

NASA Space Environment Analog for Training, Engineering, Science, and Technology (SEATEST) 6 Detailed Final Report

After more than 50 years since the last crewed lunar landing, plans for more missions to the moon are in development. For these missions, efficient and sustainable logistics will be critical. Additionally, innovative methods of cargo transfer to and from a lunar outpost should be considered for successfully establishing a permanent presence on the moon. SEATEST (Space Environment Analog for Training, Engineering, Science, and Technology) is an immersive mission-analogous operational atmosphere where buoyancy effects and supplemental weights can simulate partial gravity conditions similar to those astronauts will experience on the moon. SEATEST 6 took place at the University of Southern California (USC) Wrigley Marine Science Center on Santa Catalina Island from July 18-30, 2023. The analog was used to collect preliminary logistics data on two different offloading conceptual methods (a davit and a zipline) during a simulated lunar mission. Pre-test analysis indicated for a crew of two on a 14-day mission, approximately three Medium Pressurized Logistics Containers (MPLC) sized logistics containers (or a total of 37.5 single Cargo Transfer Bag Equivalents (CTBE)) would be needed to support a mission. A Computer-Aided Design (CAD) analysis was employed on the SEATEST airlock mockup to determine how many logistic containers would fit with two suited crewmembers, don/doff stands, and hatch operations. It was determined that for SEATEST, a total of 15 1.0 Small Pressurized Logistics Containers (SPLCs) and 8 2.0 SPLCs would adequately fit into the approximate 9.5 cubic meter airlock volume. This does not fully represent a complete 14-day logistic supply; however, it does provide a preliminary estimate to initiate design conversations between logistics teams and crew at this early stage of development. Data were collected in eight logistics transfer scenarios over two days with four scenarios per day. Five test subject crew participated in scenarios as pairs. Scenarios included two sizes of logistics containers – 1.0 SPLC (equivalent to a single Cargo Transfer Bag (CTB) and 2.0 SPLC (equivalent to two CTBs). Planed evaluations included the use of a logistics port compared to transfer through an Airlock hatch, offloading methods based on either a davit or a zipline system, choreography of cargo in the airlock to permit ingress and suit doffing, and dust removal protocols for an understanding of the overall impact to transfer ops. Data collected included objective data (task times for conducting overall tasks and subtasks, full audio/video of test activities, and inadvertent “dings” on hardware) and subjective data (crew consensus of: task acceptability and capability assessment ratings related to best practices, considerations, and constraints for EVA-driven logistics transfer ConOps, sim quality of the test environment, and more general debrief comments). The two logistic offloading transfer concepts (davit, zipline) presented both advantages and limitations. The davit’s flexibility in allowing the crew to pick up the containers without physical interaction was well regarded by the crew. Some limitations of select davit hardware components were noted, but the overall concept was acceptable. The zipline system proved to be the most efficient way of moving logistics from the lander to the airlock and eliminated the need for dust operations. However, extended and repetitive lifting of containers to the line could be fatiguing. In conclusion, logistics transfer could hypothetically be achieved without an offloading method; however, the time requirement for such operations would be prohibitive. Results of crew subjective feedback proposed a combined or hybrid davit/zipline method to increase efficiency.

Logistics↗
DOE OSTI2016

High energy density soft X-ray momentum coupling to comet analogs for NEO mitigation

Here, we applied MBBAY high fluence pulsed radiation intensity driven momentum transfer analysis to calculate X-ray momentum coupling coefficients C M =(Pa s)/(J/m 2 ) for two simplified comet analog materials: i) water ice, and ii) 70% water ice and 30% distributed olivine grains. The momentum coupling coefficients (C M ) max of 50×10 –5 s/m, are about an order of magnitude greater than experimentally determined and computed MBBAY values for meteoritic materials that are analogs for asteroids. From the values for comet analog materials we infer applied energies (via momentum transfer) required to deflect an Earth crossing comet from impacting Earth by a sufficient amount (~1 cm/s) to avert collision ~a year in advance. Comet model calculations indicate for C M = 5 × 10 –4 s/m the deflection of a 2 km comet with a density 600 kg/m 3 by 1 cm/s requires an applied energy on the target surface of 5 × 10 13 J, the equivalent of 12 kT of TNT. Depending on the geometrical configuration of the interaction the explosive yield required could be an order of magnitude higher.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

CO 2 leakage impacts on shallow groundwater. Field-scale reactive-transport simulations informed by observations at a natural analog site

It is challenging to predict the degree to which shallow groundwater might be affected by leaks from a CO 2 sequestration reservoir, particularly over long time scales and large spatial scales. In this study observations at a CO 2 enriched shallow aquifer natural analog were used to develop a predictive model which is then used to simulate leakage scenarios. This natural analog provides the opportunity to make direct field observations of groundwater chemistry in the presence of elevated CO 2 , to collect aquifer samples and expose them to CO 2 under controlled conditions in the laboratory, and to test the ability of multiphase reactive transport models to reproduce measured geochemical trends at the field-scale. The field observations suggest that brackish water entrained with the upwelling CO 2 are a more significant source of trace metals than in situ mobilization of metals due to exposure to CO 2 . The study focuses on a single trace metal of concern at this site: U. Experimental results indicate that cation exchange/adsorption and dissolution/precipitation of calcite containing trace amounts of U are important reactions controlling U in groundwater at this site, and that the amount of U associated with calcite is fairly well constrained. Simulations incorporating these results into a 3-D multi-phase reactive transport model are able to reproduce the measured ranges and trends between pH, pCO 2 , Ca, total C, U and Cl - at the field site. Although the true fluxes at the natural analog site are unknown, the cumulative CO 2 flux inferred from these simulations are approximately equivalent to 37.8E-3 MT, approximately corresponding to a .001% leak rate for injection at a large (750 MW) power plant. The leakage scenario simulations suggest that if the leak only persists for a short time the volume of aquifer contaminated by CO 2 -induced mobilization of U will be relatively small, yet persistent over 100 a.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Thermal expansion in 3d-metal Prussian Blue Analogs-A survey study

We present a comprehensive study of the structural properties and the thermal expansion behavior of 17 different Prussian Blue Analogs (PBAs) with compositions M{sup II}{sub 3}[(M'){sup III}(CN){sub 6}]{sub 2}.nH{sub 2}O and M{sup II}{sub 2}[Fe{sup II}(CN){sub 6}].nH{sub 2}O, where M{sup II}=Mn, Fe, Co, Ni, Cu and Zn, (M'){sup III}=Co, Fe and n is the number of water molecules, which range from 5 to 18 for these compounds. The PBAs were synthesized via standard chemical precipitation methods, and temperature-dependent X-ray diffraction studies were performed in the temperature range between -150 deg. C (123 K) and room-temperature. The vast majority of the studied PBAs were found to crystallize in cubic structures of space groups Fm3-bar m, F4-bar 3m and Pm3-bar m. The temperature dependence of the lattice parameters was taken to compute an average coefficient of linear thermal expansion in the studied temperature range. Of the 17 compounds, 9 display negative values for the average coefficient of linear thermal expansion, which can be as large as 39.7x{sup 1}0{sup -6} K{sup -1} for Co{sub 3}[Co(CN){sub 6}]{sub 2}.12H{sub 2}O. All of the M{sup II}{sub 3}[Co{sup III}(CN){sub 6}]{sub 2}.nH{sub 2}O compounds show negative thermal expansion behavior, which correlates with the Irving-Williams series for metal complex stability. The thermal expansion behavior for the PBAs of the M{sup II}{sub 3}[Fe{sup III}(CN){sub 6}]{sub 2}.nH{sub 2}O family are found to switch between positive (for M=Mn, Co, Ni) and negative (M=Cu, Zn) behavior, depending on the choice of the metal cation (M). On the other hand, all of the M{sup II}{sub 2}[Fe{sup II}(CN){sub 6}].nH{sub 2}O compounds show positive thermal expansion behavior. - Graphical Abstract: The structure of Prussian Blue analogs (PBAs) consists of two types of metal centered octahedral units connected by cyanide ligand. Lattice and interstitial water molecules are present in these framework structures. All the PBAs of the M{sub 3}[Co(CN){sub 6}]{sub 2}.nH{sub 2}O family show negative thermal expansion (NTE) behavior. The lattice parameters and magnitude of NTE correlates inversely with the Irving-Williams series of metal complex stability. Highlights: > Thermal expansion behavior of 17 Prussian Blue Analogs has been studied via XRD. > Nine compounds display negative thermal expansion (NTE) behavior. > All compounds of the M{sup II}{sub 3}[Co{sup III}(CN){sub 6}]{sub 2} family exhibit NTE behavior. > Magnitude of the NTE in M{sup II}{sub 3}[Co{sup III}(CN){sub 6}]{sub 2} follows the order Mn>Fe>Co>Ni>Cu<Zn. > NTE materials show correlations with lattice parameters and Irving-Williams series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Exploring the anti-inflammatory activity of a novel 2-phenylquinazoline analog with protection against inflammatory injury

Inflammation is a protective immune response against harmful stimuli whose long time continuation results in host disease. Quinazolinones are nitrogen containing heterocyclic compounds with wide spectrum of biological activities. The anticancer effect of a 3-(arylideneamino)‐phenylquinazoline-4(3H)-one derivative was reported earlier. The anti-inflammatory effect of these quinazolinone derivatives has now been examined in endotoxin stimulated macrophages and in different in vivo models of inflammation by measuring the proinflammatory cytokines (TNF-α, IL-1β and IL-6), mediators NO and NF-κB (by ELISA and western blot), and translocation of the nuclear factor kB (by immunocytochemical analysis). To elucidate the in vivo effect, mice endotoxin model was and the various levels of edema, inflammatory pain and vascular permeability were studied. One of the quinazolinone derivatives showed significant anti-inflammatory activity in stimulated macrophage cells by inhibiting the expression of TNF-α, IL-1β, IL-6, iNOS, COX-2, p-IκB and NF-κBp65. Significant (P < 0.01) improvement was observed in the mortality of endotoxemic mice. The carrageenan and formalin-induced paw edema thicknesses were found to be reduced significantly (P < 0.01) along with the reduction of pain, vascular permeability and edema induced by complete Freund's adjuvant (P < 0.01). These findings indicate that 3-(arylideneamino)‐phenylquinazoline-4(3H)-one derivative as a potential anti-inflammatory agent. -- Highlights: ► 2-phenylquinazoline analog suppresses the cytokines in stimulated macrophages. ► 2-phenylquinazoline analog down regulated NF-kB P65 translocation. ► Role of 2-phenylquinazoline analog in endotoximia and peripheral inflammations.

60 APPLIED LIFE SCIENCES↗