CO2 coverage on Pd catalysts accelerates oxygen removal in oxy-combustion systems.

Oxy-combustion systems result in enriched CO2 in exhaust gases; however, the utilization of the concentrated CO2 stream from oxy-combustion is limited by remnant O2. CH4 oxidation using Pd catalysts has been found to have high O2-removal efficiency. Here, the effect of excess CO2 in the feed stream on O2 removal with CH4 oxidation is investigated by combining experimental and theoretical approaches. Experimental results reveal complete CH4 oxidation without any side-products, and a monotonic increase in the rate of CO2 generation with an increase in CO2 concentration in the feed stream. Density-functional theory calculations show that high surface coverage of CO2 on Pd leads to a reduction in the activation energy for the initial dissociation of CH4 into CH3 and H, and also the subsequent oxidation reactions. A CO2-rich environment in oxy-combustion systems is therefore beneficial for the reduction of oxygen in exhaust gases.

Coronavirus Disease 2019 Patients in Earlier Stages Exhaled Millions of Severe Acute Respiratory Syndrome Coronavirus 2 Per Hour.

Coronavirus disease 2019 (COVID-19) patients exhaled millions of severe acute respiratory syndrome coronavirus 2 RNA copies per hour, which plays an important role in COVID-19 transmission. Exhaled breath had a higher positive rate (26.9%, n = 52) than surface (5.4%, n = 242) and air (3.8%, n = 26) samples.

PPARα agonist fenofibrate attenuates iron-induced liver injury in mice by modulating the Sirt3 and ß-catenin signaling.

Iron accumulation is frequently associated with chronic liver diseases. However, our knowledge on how iron contributes to the liver injury is limited. Aberrant Wnt/ß-catenin signaling is a hallmark of several hepatic pathologies. We recently reported that peroxisome proliferator-activated receptor α (PPARα) agonist, fenofibrate, prevents iron-induced oxidative stress and ß-catenin signaling by chelating the iron. Sirtuin3 (Sirt3), a type of NAD+-dependent deacetylase, that plays a critical role in metabolic regulation was found to prevent ischemia reperfusion injury (IRI) by normalizing the Wnt/ß-catenin pathway. In the present study, we explored if fenofibrate prevents iron-induced liver injury by regulating the Sirt3 and ß-catenin signaling. In vitro and in vivo iron treatment resulted in the downregulation of PPARα, Sirt3, active ß-catenin, and its downstream target gene c-Myc in the mouse liver. Pharmacological activation of Sirt3, both in vitro and in vivo, by Honokiol (HK), a known activator of Sirt3, abrogated the inhibitory effect of iron overload on active ß-catenin expression and prevented the iron-induced upregulation of α smooth muscle actin (αSMA) and TGFß expression. Intrinsically, PPARα knockout mice showed significant downregulation of hepatic Sirt3 levels. In addition, treatment of iron overload mice with PPARα agonist fenofibrate reduced hepatic iron accumulation and prevented iron-induced downregulation of liver Sirt3 and active ß-catenin, mitigating the progression of fibrosis. Thus, our results establish a novel link between hepatic iron and PPARα, Sirt3, and ß-catenin signaling. Further exploration on the mechanisms by which fenofibrate ameliorates iron-induced liver injury likely has significant therapeutic impact on iron-associated chronic liver diseases.NEW & NOTEWORTHY Hepatic intracellular iron accumulation has been implicated in the pathophysiology of chronic liver diseases. In this study, we identified a novel mechanism involved in the progression of fibrosis. Excess iron accumulation in liver caused downregulation of PPARα-Sirt3-Wnt signaling leading to fibrosis. This work has significant translational potential as PPARα agonist fenofibrate could be an attractive therapeutic drug for the treatment of liver disorders associated with iron overload.

Aerosol Dynamics Model for Estimating the Risk from Short-Range Airborne Transmission and Inhalation of Expiratory Droplets of SARS-CoV-2.

The highly infectious SARS-CoV-2 novel coronavirus has resulted in a global pandemic. More than a hundred million people are already impacted, with infected numbers expected to go up. Coughing, sneezing, and even talking emit respiratory droplets which can carry infectious viruses. It is important to understand how the exhaled particles move through air to an exposed person to better predict the airborne transmission impacts of SARS-CoV-2. There are many studies conducted on the airborne spread of viruses causing diseases such as SARS and measles; however, there are very limited studies that couple the transport characteristics with the aerosol dynamics of the droplets. In this study, a comprehensive model for simultaneous droplet evaporation and transport due to diffusion, convection, and gravitational settling is developed to determine the near spatial and temporal concentration of the viable virus exhaled by the infected individual. The exposure to the viable virus is estimated by calculating the respiratory deposition, and the risk of infection is determined using a dose-response model. The developed model is used to quantify the risk of short-range airborne transmission of SARS-CoV-2 from inhalation of virus-laden droplets when an infected individual is directly in front of the person exposed and the surrounding air is stagnant. The effect of different parameters, such as viral load, infectivity factor, emission sources, physical separation, exposure time, ambient air velocity, dilution, and mask usage, is determined on the risk of exposure.

Spectroscopic investigations of electron and hole dynamics in MAPbBr3 perovskite film and carrier extraction to PEDOT hole transport layer.

Organometallic halide perovskite (MAPPbBr3), Rust-based Vapor Phase Polymerization (RVPP)-PEDOT hole transporting layers and (RVPP-PEDOT)/MAPPbBr3 dual-layer, deposited on fluorine doped tin oxide glass were studied at room temperature using steady-state absorption, time-resolved photoluminescence imaging and femtosecond time-resolved absorption spectroscopy. Application of these techniques in conjunction with diverse excitation intensities allowed determination of various optoelectronic properties of the perovskite film and the time constant of the hole extraction process. Spectral reconstruction of the bandedge absorption spectrum using Elliot's formula enabled separation of the exciton band. The binding energy of the exciton was determined to be 19 meV and the bandgap energy of the perovskite film was 2.37 eV. Subsequent time-resolved photoluminescence studies of the perovskite film performed using a very weak excitation intensity followed by a global analysis of the data revealed monomolecular recombination dynamics of charge carriers occurring with an amplitude weighted lifetime of 3.2 ns. Femtosecond time-resolved transient absorption of the film performed after excitation intensity spanning a range of over two orders of magnitude enabled determining the rate constant of bimolecular recombination and was found to be 2.6 × 10-10 cm3 s-1. Application of numerous high intensity excitations enabled observation of band filling effect and application of the Burstein-Moss model allowed to determine the reduced effective mass of photoexcited electron-hole pair in MAPPbBr3 film to be 0.19 rest mass of the electron. Finally, application of transient absorption on RVPP-PEDOT/MAPPbBr3 enabled determination of a 0.4 ps time constant for the MAPPbBr3-to-PEDOT hole extraction process.

Breath-, air- and surface-borne SARS-CoV-2 in hospitals.

The COVID-19 pandemic has brought an unprecedented crisis to the global health sector. When discharging COVID-19 patients in accordance with throat or nasal swab protocols using RT-PCR, the potential risk of reintroducing the infection source to humans and the environment must be resolved. Here, 14 patients including 10 COVID-19 subjects were recruited; exhaled breath condensate (EBC), air samples and surface swabs were collected and analyzed for SARS-CoV-2 using reverse transcription-polymerase chain reaction (RT-PCR) in four hospitals with applied natural ventilation and disinfection practices in Wuhan. Here we discovered that 22.2% of COVID-19 patients (n = 9), who were ready for hospital discharge based on current guidelines, had SARS-CoV-2 in their exhaled breath (~105 RNA copies/m3). Although fewer surface swabs (3.1%, n = 318) tested positive, medical equipment such as face shield frequently contacted/used by healthcare workers and the work shift floor were contaminated by SARS-CoV-2 (3-8 viruses/cm2). Three of the air samples (n = 44) including those collected using a robot-assisted sampler were detected positive by a digital PCR with a concentration level of 9-219 viruses/m3. RT-PCR diagnosis using throat swab specimens had a failure rate of more than 22% in safely discharging COVID-19 patients who were otherwise still exhaling the SARS-CoV-2 by a rate of estimated ~1400 RNA copies per minute into the air. Direct surface contact might not represent a major transmission route, and lower positive rate of air sample (6.8%) was likely due to natural ventilation (1.6-3.3 m/s) and regular disinfection practices. While there is a critical need for strengthening hospital discharge standards in preventing re-emergence of COVID-19 spread, use of breath sample as a supplement specimen could further guard the hospital discharge to ensure the safety of the public and minimize the pandemic re-emergence risk.

Measurement of sub-2 nm stable clusters during silane pyrolysis in a furnace aerosol reactor.

The initial stages of particle formation are important in several industrial and environmental systems; however, the phenomenon is not completely understood due to the inability to measure cluster size distributions. A high resolution differential mobility analyzer with an electrometer was used to map out the early stages of Si particle formation from pyrolysis of SiH4 in a furnace aerosol reactor. We detected for the first time subnanometer stable clusters from silane pyrolysis, and the diameter was measured to be about 0.7 nm. This diameter is within the range of probable sizes that the reported families of critical silane clusters could have based on their actual molecular structure. The size distributions of negative clusters are also mapped out. In addition, gas chromatography mass spectrometry, and transmission electron microscopy characterizations of the clusters and primary particles are used to assess their mechanistic roles in aerosol dynamics of the initial stages of particle formation.

Optimization of disinfectant dosage for simultaneous control of lead and disinfection-byproducts in water distribution networks.

Drinking water utilities are increasingly facing the challenges of maintaining water quality, and simultaneously complying with conflicting regulatory standards. One such challenge is the dosage of chlorine-based disinfectants which is typically regulated to prevent microbial growth in the water distribution systems, while limiting disinfection by-products (DBPs). On the other hand, chlorine residuals also influence the dissolution of lead into drinking water from corrosion scales in the pipe internals, as has been shown by previous studies. Hence, it is important to consider water lead levels (WLLs) while determining the appropriate chlorine dosage. This study proposes a multi-objective optimization framework to understand and balance the trade-offs between (i) minimizing total disinfectant dosage to reduce DBPs formation potential, and (ii) maximizing the volume of safe drinking water supply with respect to both WLLs and residual free chlorine concentrations. The approach comprises of the development of a dynamic simulation-optimization framework to account for the impact of spatial and temporal variations of network hydraulics and water chemistry on WLLs and residual free chlorine. The framework couples dynamic multi-species water quality simulations (pH, residual free chlorine, dissolved inorganic carbon, and orthophosphate concentration) with a multi-objective genetic optimization algorithm in an integrated MATLAB-EPANET-MSX platform. The application of the optimization formulation is demonstrated on a real-world distribution network case study. The resulting optimal solution set on pareto-plots are discussed for sensitivity of the trade-offs between the two objective functions, under various water chemistry conditions that have been suggested in earlier studies for minimizing lead release from plattnerite (PbO2) corrosion scales in lead service lines. The resulting optimal disinfectant dosage schedule, for pumping and booster station nodes in each case, provided insights on maintaining disinfectant residuals throughout the distribution system so as to prevent microbial growth as well as lead contamination events while limiting DBPs formation. Further, environmental implications related to the use of the proposed framework are also discussed.

NO2 gas sensing performance enhancement based on reduced graphene oxide decorated V2O5 thin films.

Here, we demonstrate improved NO2 gas sensing properties based on reduced graphene oxide (rGO) decorated V2O5 thin film. Excluding the DC sputtering grown V2O5 thin film, rGO was spread over V2O5 thin film by the drop cast method. The formation of several p-n heterojunctions was greatly affected by the current-voltage relation of the rGO-decorated V2O5 thin film due to the p-type and n-type nature of rGO and V2O5, respectively. Initially with rGO decoration on V2O5 thin film, current decreased in comparison to the pristine V2O5 thin film, whereas depositing rGO film on a glass substrate drastically increased current. Among all sensors, only the rGO-decorated V2O5 sensor revealed a maximum NO2 gas sensing response for 100 ppm at 150 °C, and it achieved an approximately 61% higher response than the V2O5 sensor. The elaborate mechanism for an extremely high sensing response is attributed to the formation and modulation of p-n heterojunctions at the interface of rGO and V2O5. In addition, the presence of active sites like oxygenous functional groups on the rGO surface enhanced the sensing response. On that account, sensors based on rGO-decorated V2O5 thin film are highly suitable for the purpose of NO2 gas sensing. They enable the timely detection of the gas, further protecting the ecosystem from its harmful effects.

High-performance photodetector based on hybrid of MoS2 and reduced graphene oxide.

2D materials are a promising new class of materials for next generation optoelectronic devices owing to their appealing optical and electrical properties. Pristine molybdenum disulfide (MoS2) is widely used in next generation photovoltaic and optoelectronic devices, but its low photo-dark current ratio prevents its use in highly efficient photo detection applications. Here, we decorated crumpled reduced graphene oxide (rGO) particles on a large-area vertically aligned MoS2 flake network to enhance the performance of the MoS2-based photodetector by forming multiple nanoscale p-n heterojunctions. The rGO/MoS2 device exhibited a significantly improved photoresponsivity of ∼2.10 A W-1 along with a good detectivity of ∼5 × 1011 Jones (Jones = cm Hz1/2/W) compared to that of the pristine MoS2 photodetector in ambient atmosphere. Moreover, the rGO/MoS2 photodetector showed a fast response of ∼18 ms with excellent stability and reproducibility in ambient air even after three months. The high performance of the photodetector is attributed to enhanced photoexcited carrier density and suppressed photo generated electron-hole recombination due to the strong local built-in electric field developed at the rGO/MoS2 interface. Our results showed that integration of rGO with MoS2 provides an efficient platform for photo detection applications.

Comparing the performance of 3 bioaerosol samplers for influenza virus.

Respiratory viral diseases can be spread when a virus-containing particle (droplet) from one individual is aerosolized and subsequently comes into either direct or indirect contact with another individual. Increasing numbers of studies are examining the occupational risk to healthcare workers due to proximity to patients. Selecting the appropriate air sampling method is a critical factor in assuring the analytical performance characteristics of a clinical study. The objective of this study was to compare the physical collection efficiency and virus collection efficiency of a 5 mL compact SKC BioSampler®, a gelatin filter, and a glass fiber filter, in a laboratory setting. The gelatin filter and the glass fiber filter were housed in a home-made filter holder. Submersion (with vortexing and subsequent centrifugation) was used for the gelatin and glass fiber filters. Swabbing method was also tested to retrieve the viruses from the glass fiber filter. Experiments were conducted using the H1N1 influenza A virus A/Puerto Rico/8/1934 (IAV-PR8), and viral recovery was determined using culture and commercial real-time-PCR (BioFire and Xpert). An atomizer was used to aerosolize a solution of influenza virus in PBS for measurement, and two Scanning Mobility Particle Sizers were used to determine particle size distributions. The SKC BioSampler demonstrated a U-shaped physical collection efficiency, lowest for particles around 30-50 nm, and highest at 10 nm and 300-350 nm within the size range examined. The physical collection efficiency of the gelatin filter was strongly influenced by air flow and time: a stable collection across all particle sizes was only observed at 2 L/min for the 9 min sampling time, otherwise, degradation of the filter was observed. The glass fiber filter demonstrated the highest physical collection efficiency (100% for all sizes) of all tested samplers, however, its overall virus recovery efficiency fared the worst (too low to quantify). The highest viral collection efficiencies for the SKC BioSampler and gelatin filter were 5% and 1.5%, respectively. Overall, the SKC BioSampler outperformed the filters. It is important to consider the total concentration of viruses entering the sampler when interpreting the results.

Associations between household air pollution and reduced lung function in women and children in rural southern India.

Half of the world's population still relies on solid fuels to fulfill its energy needs for cooking and space heating, leading to high levels of household air pollution (HAP), adversely affecting human health and the environment. A cross-sectional cohort study was conducted to investigate any associations between: (1) HAP metrics (mass concentration of particulate matter of aerodynamic size less than 2.5 µm (PM2.5 ), lung-deposited surface area (LDSA) and carbon monoxide (CO)); (2) a range of household and socio-demographic characteristics; and (3) lung function for women and children exposed daily to biomass cookstove emissions, in rural southern India. HAP measurements were collected inside the kitchen of 96 households, and pulmonary function tests were performed for the women and child in each enrolled household. Detailed questionnaires captured household characteristics, health histories and various socio-demographic parameters. Simple linear and logistic regression analysis was performed to examine possible associations between the HAP metrics, lung function and all household/socio-demographic variables. Obstructive lung defects (forced vital capacity (FVC) ≥ lower limit of normal (LLN) and forced expiratory volume in 1 second (FEV1 )/FVC < LLN) were found in 8% of mothers and 9% of children, and restrictive defects (FVC < LLN and FEV1 /FVC ≥ LLN) were found in 17% of mothers and 15% of children. A positive association between LDSA, included for the first time in this type of epidemiological study, and lung function was observed, indicating LDSA is a superior metric compared to PM2.5 to assess effects of PM on lung function. HAP demonstrated a moderate association with subnormal lung function in children. The results emphasize the need to look beyond mass-based PM metrics to assess fully the association between HAP and lung function.

Characterization of Aerosols Generated During Patient Care Activities.

Background: Questions remain about the degree to which aerosols are generated during routine patient care activities and whether such aerosols could transmit viable pathogens to healthcare personnel (HCP). The objective of this study was to measure aerosol production during multiple patient care activities and to examine the samples for bacterial pathogens. Methods: Five aerosol characterization instruments were used to measure aerosols during 7 patient care activities: patient bathing, changing bed linens, pouring and flushing liquid waste, bronchoscopy, noninvasive ventilation, and nebulized medication administration (NMA). Each procedure was sampled 5 times. An SKC BioSampler was used for pathogen recovery. Bacterial cultures were performed on the sampling solution. Patients on contact precautions for drug-resistant organisms were selected for most activity sampling. Any patient undergoing bronchoscopy was eligible. Results: Of 35 sampling episodes, only 2 procedures showed a significant increase in particle concentrations over baseline: NMA and bronchoscopy with NMA. Bronchoscopy without NMA and noninvasive ventilation did not generate significant aerosols. Of 78 cultures from the impinger samples, 6 of 28 baseline samples (21.4%) and 14 of 50 procedure samples (28.0%) were positive. Conclusions: In this study, significant aerosol generation was only observed during NMA, both alone and during bronchoscopy. Minimal viable bacteria were recovered, mostly common environmental organisms. Although more research is needed, these data suggest that some of the procedures considered to be aerosol-generating may pose little infection risk to HCP.

Modeling Soluble and Particulate Lead Release into Drinking Water from Full and Partially Replaced Lead Service Lines.

Partial replacement of lead service lines (LSLs) often results in the excessive long-term release of lead particulates due to the disturbance of pipe scale and galvanic corrosion. In this study, a modeling approach to simulate the release and transport of particulate and dissolved lead from full and partially replaced LSLs is developed. A mass-transfer model is coupled with a stochastic residential water demand generator to investigate the effect of normal household usage flow patterns on lead exposure. The model is calibrated by comparing simulation results against experimental measurements from pilot-scale setups where lead release under different flow rates and water chemistry scenarios was reported. Applying the model within a Monte Carlo simulation framework, partial replacement of the LSL was predicted to result in releasing spikes with significantly high concentrations of particulate lead (1011.9 ± 290.3 µg/L) that were five times higher than those released from the simulated full LSL. Sensitivity analysis revealed that the intensity of flow demands significantly affects particulate lead release, while dissolved lead levels are more dependent on the lengths of the stagnation periods. Preflushing of the LSL prior to regulatory sampling was found to underestimate the maximum monthly exposure to dissolved lead by 19%, while sampling at low flow rates (<5.2 LPM) was found to consistently suppress the high spikes induced by particulate lead mobilization.

Spatio-temporal measurement of indoor particulate matter concentrations using a wireless network of low-cost sensors in households using solid fuels.

Many households use solid fuels for cooking and heating purposes. There is currently a knowledge gap in our understanding of the variations in indoor air quality throughout the household as most of the studies focus on the areas in the close proximity of the cookstove. A low-cost wireless particulate matter (PM) sensor network was developed and deployed in households in Raipur, India to establish the spatio-temporal variation of PM concentrations. The data from multiple sensors were acquired in real-time with a wireless system. Data collected from the sensors agreed well (R2 =0.713) with the reference data collected from a commercially available instrument. Low spatial variability was observed within the kitchen due to its small size and poor ventilation - a common feature of most rural Indian kitchens. Due to insufficient ventilation from open doors and windows, high PM concentrations similar to those found in the kitchen were also found in the adjoining rooms. The same household showed significantly different post-extinguished cookstove PM concentration decay rates (0.26mg/m3-min and 0.87mg/m3-min) on different days, owing to varying natural air exchange rates (7.68m3/min and 37.40m3/min).

Organic and inorganic speciation of particulate matter formed during different combustion phases in an improved cookstove.

Residential solid fuel combustion in cookstoves has established health impacts including bladder and lung cancers, cataracts, low birth weight, and pneumonia. The chemical composition of particulate matter (PM) from 4 commonly-used solid fuels (coal, dung, ambient/dry applewood, and oakwood pellets), emitted from a gasifier cookstove, as well as propane, were examined. Temporal changes between the different cookstove burn-phases were also explored. Normalized concentrations of non-refractory PM1, total organics, chloride, ammonium, nitrate, sulfate, and 41 particle-phase polycyclic aromatic hydrocarbons (PAHs) were measured using a High-Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS) and a Thermal desorption Aerosol Gas chromatograph (TAG), respectively. Coal demonstrated the highest fraction of organic matter in its particulate emission composition (98%), followed by dung (94%). Coal and dung also demonstrated the highest numbers and concentrations of PAHs. While dry applewood emitted ten times lower organic matter compared to ambient applewood, a higher fraction of these organics was composed of PAHs, especially the more toxic ones such as benzo(a)pyrene (9.63ng/L versus 0.04ng/L), and benzo(b)fluoranthene (31.32ng/L versus 0.19ng/L). Data from the AMS demonstrated no clear trends for any of the combustion fuels over the different combustion phases unlike the previously reported trends observed for the physical characteristics. Of the solid fuels, pellets demonstrated the lowest emissions. Emissions from propane were below the quantification limit of the instruments. This work highlights the benefits of incorporating additional metrics into the cookstove evaluation process, thus enriching the existing PM data inventory.

Comparing on-road real-time simultaneous in-cabin and outdoor particulate and gaseous concentrations for a range of ventilation scenarios.

Advanced automobile technology, developed infrastructure, and changing economic markets have resulted in increasing commute times. Traffic is a major source of harmful pollutants and consequently daily peak exposures tend to occur near roadways or while traveling on them. The objective of this study was to measure simultaneous real-time particulate matter (particle numbers, lung-deposited surface area, PM2.5, particle number size distributions) and CO concentrations outside and in-cabin of an on-road car during regular commutes to and from work. Data was collected for different ventilation parameters (windows open or closed, fan on, AC on), whilst traveling along different road-types with varying traffic densities. Multiple predictor variables were examined using linear mixed-effects models. Ambient pollutants (NOx, PM2.5, CO) and meteorological variables (wind speed, temperature, relative humidity, dew point) explained 5-44% of outdoor pollutant variability, while the time spent travelling behind a bus was statistically significant for PM2.5, lung-deposited SA, and CO (adj-R2 values = 0.12, 0.10, 0.13). The geometric mean diameter (GMD) for outdoor aerosol was 34 nm. Larger cabin GMDs were observed when windows were closed compared to open (b = 4.3, p-value = <0.01). When windows were open, cabin total aerosol concentrations tracked those outdoors. With windows closed, the pollutants took longer to enter the vehicle cabin, but also longer to exit it. Concentrations of pollutants in cabin were influenced by outdoor concentrations, ambient temperature, and the window/ventilation parameters. As expected, particle number concentrations were impacted the most by changes to window position / ventilation, and PM2.5 the least. Car drivers can expect their highest exposures when driving with windows open or the fan on, and their lowest exposures during windows closed or the AC on. Final linear mixed-effects models could explain between 88-97% of cabin pollutant concentration variability. An individual may control their commuting exposure by applying dynamic behavior modification to adapt to changing pollutant scenarios.

A Hypoxia-Targeted Boron Neutron Capture Therapy Agent for the Treatment of Glioma.

PURPOSE: Boron neutron capture therapy (BNCT) has the potential to become a viable cancer treatment modality, but its clinical translation has been limited by the poor tumor selectivity of agents. To address this unmet need, a boronated 2-nitroimidazole derivative (B-381) was synthesized and evaluated for its capability of targeting hypoxic glioma cells. METHODS: B-381 has been synthesized from a 1-step reaction. Using D54 and U87 glioma cell lines, the in vitro cytotoxicity and cellular accumulation of B-381 has been evaluated under normoxic and hypoxic conditions compared to L-boronophenylalanine (BPA). Furthermore, tumor retention of B-381 was evaluated in vivo. RESULTS: B-381 had low cytotoxicity in normal and cancer cells. Unlike BPA, B-381 illustrated preferential retention in hypoxic glioma cells compared to normoxic glioma cells and normal tissues in vitro. In vivo, B-381 illustrated significantly higher long-term tumor retention compared to BPA, with 9.5-fold and 6.5-fold higher boron levels at 24 and 48 h, respectively. CONCLUSIONS: B-381 represents a new class of BNCT agents in which their selectivity to tumors is based on hypoxic tumor metabolism. Further studies are warranted to evaluate B-381 and similar compounds as preclinical candidates for future BNCT clinical trials for the treatment of glioma.

Graphene Oxides in Water: Correlating Morphology and Surface Chemistry with Aggregation Behavior.

Aqueous aggregation processes can significantly impact function, effective toxicity, environmental transport, and ultimate fate of advanced nanoscale materials, including graphene and graphene oxide (GO). In this work, we have synthesized flat graphene oxide (GO) and five physically crumpled GOs (CGO, with different degrees of thermal reduction, and thus oxygen functionality) using an aerosol method, and characterized the evolution of surface chemistry and morphology using a suite of spectroscopic (UV-vis, FTIR, XPS) and microscopic (AFM, SEM, and TEM) techniques. For each of these materials, critical coagulation concentrations (CCC) were determined for NaCl, CaCl2, and MgCl2 electrolytes. The CCCs were correlated with material ζ-potentials (R(2) = 0.94-0.99), which were observed to be mathematically consistent with classic DLVO theory. We further correlated CCC values with CGO chemical properties including C/O ratios, carboxyl group concentrations, and C-C fractions. For all cases, edge-based carboxyl functional groups are highly correlated to observed CCC values (R(2) = 0.89-0.95). Observations support the deprotonation of carboxyl groups with low acid dissociation constants (pKa) as the main contributors to ζ-potentials and thus material aqueous stability. We also observe CCC values to significantly increase (by 18-80%) when GO is physically crumpled as CGO. Taken together, the findings from both physical and chemical analyses clearly indicate that both GO shape and surface functionality are critical to consider with regard to understanding fundamental material behavior in water.