An experimental and theoretical investigation of the N(2D) + C6H6 (benzene) reaction with implications for the photochemical models of Titan.

We report on a combined experimental and theoretical investigation of the N(2D) + C6H6 (benzene) reaction, which is of relevance in the aromatic chemistry of the atmosphere of Titan. Experimentally, the reaction was studied (i) under single-collision conditions by the crossed molecular beams (CMB) scattering method with mass spectrometric detection and time-of-flight analysis at the collision energy (Ec) of 31.8 kJ mol-1 to determine the primary products, their branching fractions (BFs), and the reaction micromechanism, and (ii) in a continuous supersonic flow reactor to determine the rate constant as a function of temperature from 50 K to 296 K. Theoretically, electronic structure calculations of the doublet C6H6N potential energy surface (PES) were performed to assist the interpretation of the experimental results and characterize the overall reaction mechanism. The reaction is found to proceed via barrierless addition of N(2D) to the aromatic ring of C6H6, followed by formation of several cyclic (five-, six-, and seven-membered ring) and linear isomeric C6H6N intermediates that can undergo unimolecular decomposition to bimolecular products. Statistical estimates of product BFs on the theoretical PES were carried out under the conditions of the CMB experiments and at the temperatures relevant for Titan's atmosphere. In all conditions the ring-contraction channel leading to C5H5 (cyclopentadienyl) + HCN is dominant, while minor contributions come from the channels leading to o-C6H5N (o-N-cycloheptatriene radical) + H, C4H4N (pyrrolyl) + C2H2 (acetylene), C5H5CN (cyano-cyclopentadiene) + H, and p-C6H5N + H. Rate constants (which are close to the gas kinetic limit at all temperatures, with the recommended value of 2.19 ± 0.30 × 10-10 cm3 s-1 over the 50-296 K range) and BFs have been used in a photochemical model of Titan's atmosphere to simulate the effect of the title reaction on the species abundances as a function of the altitude.

Low-temperature kinetics for the N + NO reaction: experiment guides the way.

The reaction N(4S) + NO(X2Π) → O(3P) + N2(X1Σ+g) plays a pivotal role in the conversion of atomic to molecular nitrogen in dense interstellar clouds and in the atmosphere. Here we report a joint experimental and computational investigation of the N + NO reaction with the aim of providing improved constraints on its low temperature reactivity. Thermal rates were measured over the 50 to 296 K range in a continuous supersonic flow reactor coupled with pulsed laser photolysis and laser induced fluorescence for the production and detection of N(4S) atoms, respectively. With decreasing temperature, the experimentally measured reaction rate was found to monotonously increase up to a value of (6.6 ± 1.3) × 10-11 cm3 s-1 at 50 K. To confirm this finding, quasi-classical trajectory simulations were carried out on a previously validated, full-dimensional potential energy surface (PES). However, around 50 K the computed rates decreased which required re-evaluation of the reactive PES in the long-range part due to a small spurious barrier with a height of ∼40 K in the entrance channel. By exploring different correction schemes the measured thermal rates can be adequately reproduced, displaying a clear negative temperature dependence over the entire temperature range. The possible astrochemical implications of an increased reaction rate at low temperature are also discussed.

Close contact restriction periods for patients who have received iodine-131 therapy for differentiated thyroid cancer.

Patients treated with radionuclide therapy usually require restrictions on certain activities for a period of time following treatment to optimise protection of the public and ensure the legal dose limit is not exceeded. Software may be used to calculate necessary restriction periods for an individual based on longitudinal dose rate measurements from the time of radiopharmaceutical administration. A spreadsheet program has been used for this purpose in Australian hospitals for the last two decades. However, this spreadsheet has a limitation in that it uses an approximation in the calculation of dose from a contact pattern, which affects the calculated restriction period. A computer program called Dorn was developed that provides the same functionality as the spreadsheet but without this approximation. Proffered radiation safety advice from Dorn and the spreadsheet were compared. Advice from the spreadsheet and Dorn were compared for 55 patients who underwent iodine-131 therapy for differentiated thyroid cancer. The restriction periods for caring for infants, close contact with children and sleeping with a partner were typically about 13 h longer in Dorn than in the spreadsheet, but in some cases were over a week shorter or a month longer. If the Dorn program is used clinically in place of the spreadsheet, some patients will enjoy shorter restriction periods and the therapy provider can be more confident in their compliance with regulatory requirements and best practice. Dorn is freely available fromhttps://doi.org/jg5f.

Kinetic Study of the Gas-Phase O(1D) + CH3OH and O(1D) + CH3CN Reactions: Low-Temperature Rate Constants and Atomic Hydrogen Product Yields.

Atomic oxygen in its first excited singlet state, O(1D), is an important species in the photochemistry of several planetary atmospheres and has been predicted to be a potentially important reactive species on interstellar ices. Here, we report the results of a kinetic study of the reactions of O(1D) with methanol, CH3OH, and acetonitrile, CH3CN, over the 50-296 K temperature range. A continuous supersonic flow reactor is used to attain these low temperatures coupled with pulsed laser photolysis and pulsed laser-induced fluorescence to generate and monitor O(1D) atoms, respectively. Secondary experiments examining the atomic hydrogen product channels of these reactions are also performed, through laser-induced fluorescence measurements of H(2S) atom formation. On the kinetic side, the rate constants for these reactions are seen to be large (>2 × 10-10 cm3 s-1) and consistent with barrierless reactions, although they display contrasting dependences as a function of temperature. On the product formation side, both reactions are seen to yield non-negligible quantities of atomic hydrogen. For the O(1D) + CH3OH reaction, the derived yields are in good agreement with the conclusions of previous experimental and theoretical works. For the O(1D) + CH3CN reaction, whose H-atom formation channels had not previously been investigated, electronic structure calculations of several new product formation channels are performed to explain the observed H-atom yields. These calculations demonstrate the barrierless and exothermic nature of the relevant exit channels, confirming that atomic hydrogen is also an important product of the O(1D) + CH3CN reaction.

An Experimental and Theoretical Investigation of the Gas-Phase C(3P) + N2O Reaction. Low Temperature Rate Constants and Astrochemical Implications.

The reaction between atomic carbon in its ground electronic state, C(3P), and nitrous oxide, N2O, has been studied below room temperature due to its potential importance for astrochemistry, with both species considered to be present at high abundance levels in a range of interstellar environments. On the experimental side, we measured rate constants for this reaction over the 50-296 K range using a continuous supersonic flow reactor. C(3P) atoms were generated by the pulsed photolysis of carbon tetrabromide at 266 nm and were detected by pulsed laser-induced fluorescence at 115.8 nm. Additional measurements allowing the major product channels to be elucidated were also performed. On the theoretical side, statistical rate theory was used to calculate low temperature rate constants. These calculations employed the results of new electronic structure calculations of the 3A″ potential energy surface of CNNO and provided a basis to extrapolate the measured rate constants to lower temperatures and pressures. The rate constant was found to increase monotonically as the temperature falls (kC(3P)+N2O (296 K) = (3.4 ± 0.3) × 10-11 cm3 s-1), reaching a value of kC(3P)+N2O (50 K) = (7.9 ± 0.8) × 10-11 cm3 s-1 at 50 K. As current astrochemical models do not include the C + N2O reaction, we tested the influence of this process on interstellar N2O and other related species using a gas-grain model of dense interstellar clouds. These simulations predict that N2O abundances decrease significantly at intermediate times (103 - 105 years) when gas-phase C(3P) abundances are high.

18F Site-Specific Labelling of a Single-Chain Antibody against Activated Platelets for the Detection of Acute Thrombosis in Positron Emission Tomography.

Positron emission tomography is the imaging modality of choice when it comes to the high sensitivity detection of key markers of thrombosis and inflammation, such as activated platelets. We, previously, generated a fluorine-18 labelled single-chain antibody (scFv) against ligand-induced binding sites (LIBS) on activated platelets, binding it to the highly abundant platelet glycoprotein integrin receptor IIb/IIIa. We used a non-site-specific bio conjugation approach with N-succinimidyl-4-[18F]fluorobenzoate (S[18F]FB), leading to a mixture of products with reduced antigen binding. In the present study, we have developed and characterised a novel fluorine-18 PET radiotracer, based on this antibody, using site-specific bio conjugation to engineer cysteine residues with N-[2-(4-[18F]fluorobenzamido)ethyl]maleimide ([18F]FBEM). ScFvanti-LIBS and control antibody mut-scFv, with engineered C-terminal cysteine, were reduced, and then, they reacted with N-[2-(4-[18F]fluorobenzamido)ethyl]maleimide ([18F]FBEM). Radiolabelled scFv was injected into mice with FeCl3-induced thrombus in the left carotid artery. Clots were imaged in a PET MR imaging system, and the amount of radioactivity in major organs was measured using an ionisation chamber and image analysis. Assessment of vessel injury, as well as the biodistribution of the radiolabelled scFv, was studied. In the in vivo experiments, we found uptake of the targeted tracer in the injured vessel, compared with the non-injured vessel, as well as a high uptake of both tracers in the kidney, lung, and muscle. As expected, both tracers cleared rapidly via the kidney. Surprisingly, a large quantity of both tracers was taken up by organs with a high glutathione content, such as the muscle and lung, due to the instability of the maleimide cysteine bond in vivo, which warrants further investigations. This limits the ability of the novel antibody radiotracer 18F-scFvanti-LIBS to bind to the target in vivo and, therefore, as a useful agent for the sensitive detection of activated platelets. We describe the first fluorine-18 variant of the scFvanti-LIBS against activated platelets using site-specific bio conjugation.

Experimental and theoretical studies of the gas-phase reactions of O(1D) with H2O and D2O at low temperature.

Here we report the results of an experimental and theoretical study of the gas-phase reactions between O(1D) and H2O and O(1D) and D2O at room temperature and below. On the experimental side, the kinetics of these reactions have been investigated over the 50-127 K range using a continuous flow Laval nozzle apparatus, coupled with pulsed laser photolysis and pulsed laser induced fluorescence for the production and detection of O(1D) atoms respectively. Experiments were also performed at 296 K in the absence of a Laval nozzle. On the theoretical side, the existing full-dimensional ground X 1A potential energy surface for the H2O2 system involved in this process has been reinvestigated and enhanced to provide a better description of the barrierless H-atom abstraction pathway. Based on this enhanced potential energy surface, quasiclassical trajectory calculations and ring polymer molecular dynamics simulations have been performed to obtain low temperature rate constants. The measured and calculated rate constants display similar behaviour above 100 K, showing little or no variation as a function of temperature. Below 100 K, the experimental rate constants increase dramatically, in contrast to the essentially temperature independent theoretical values. The possible origins of the divergence between experiment and theory at low temperatures are discussed.

Spatial and quantitative mapping of glycolysis and hypoxia in glioblastoma as a predictor of radiotherapy response and sites of relapse.

INTRODUCTION: Tumor hypoxia is a centerpiece of disease progression mechanisms such as neoangiogenesis or aggressive hypoxia-resistant malignant cells selection that impacts on radiotherapy strategies. Early identification of regions at risk for recurrence and prognostic-based classification of patients is a necessity to devise tailored therapeutic strategies. We developed an image-based algorithm to spatially map areas of aerobic and anaerobic glycolysis (Glyoxia). METHODS: 18F-FDG and 18F-FMISO PET studies were used in the algorithm to produce DICOM-co-registered representations and maximum intensity projections combined with quantitative analysis of hypoxic volume (HV), hypoxic glycolytic volume (HGV), and anaerobic glycolytic volume (AGV) with CT/MRI co-registration. This was applied to a prospective clinical trial of 10 glioblastoma patients with post-operative, pre-radiotherapy, and early post-radiotherapy 18F-FDG and 18F-FMISO PET and MRI studies. RESULTS: In the 10 glioblastoma patients (5M:5F; age range 51-69 years), 14/18 18F-FMISO PET studies showed detectable hypoxia. Seven patients survived to complete post-radiotherapy studies. The patient with the longest overall survival showed non-detectable hypoxia in both pre-radiotherapy and post-radiotherapy 18F-FMISO PET. The three patients with increased HV, HGV, and AGV volumes after radiotherapy showed 2.8 months mean progression-free interval vs. 5.9 months for the other 4 patients. These parameters correlated at that time point with progression-free interval. Parameters combining hypoxia and glycolytic information (i.e., HGV and AGV) showed more prominent variation than hypoxia-based information alone (HV). Glyoxia-generated images were consistent with disease relapse topology; in particular, one patient had distant relapse anticipated by HV, HGV, and AGV maps. CONCLUSION: Spatial mapping of aerobic and anaerobic glycolysis allows unique information on tumor metabolism and hypoxia to be evaluated with PET, providing a greater understanding of tumor biology and potential response to therapy.

A kinetic study of the N(2D) + C2H4 reaction at low temperature.

Electronically excited nitrogen atoms N(2D) are important species in the photochemistry of N2 based planetary atmospheres such as Titan. Despite this, few N(2D) reactions have been studied over the appropriate low temperature range. During the present work, rate constants were measured for the N(2D) + ethene (C2H4) reaction using a supersonic flow reactor at temperatures between 50 K and 296 K. Here, a chemical reaction was used to generate N(2D) atoms, which were detected directly by laser induced fluorescence in the vacuum ultraviolet wavelength region. The measured rate constants displayed very little variation as a function of temperature, with substantially larger values than those obtained in previous work. Indeed, considering an average temperature of 170 K for the atmosphere of Titan leads to a rate constant that is almost seven times larger than the currently recommended value. In parallel, electronic structure calculations were performed to provide insight into the reactive process. While earlier theoretical work at a lower level predicted the presence of a barrier for the N(2D) + C2H4 reaction, the present calculations demonstrate that two of the five doublet potential energy surfaces correlating with reagents are likely to be attractive, presenting no barriers for the perpendicular approach of the N atom to the C[double bond, length as m-dash]C bond of ethene. The measured rate constants and new product channels taken from recent dynamical investigations of this process are included in a 1D coupled ion-neutral model of Titan's atmosphere. These simulations indicate that the modeled abundances of numerous nitrogen bearing compounds are noticeably affected by these changes.

Experimental and theoretical studies of the N(2D) + H2 and D2 reactions.

This study reports the results of an experimental and theoretical investigation of the N(2D) + H2 and N(2D) + D2 reactions at room temperature and below. On the experimental side, a supersonic flow (Laval nozzle) reactor was employed to measure rate constants for these processes at temperatures as low as 127 K. N(2D) was produced indirectly by pulsed laser photolysis and these atoms were detected directly by pulsed laser induced fluorescence in the vacuum ultraviolet wavelength region. On the theoretical side, two different approaches were used to calculate rate constants for these reactions; a statistical quantum mechanical (SQM) method and a quasi-classical trajectory capture model including a semi-classical correction for tunneling (SC-Capture). This work is described in the context of previous studies, while the discrepancies between both experiment and theory, as well as between the theoretical results themselves are discussed.

Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature.

The rates of numerous activated reactions between neutral species increase at low temperatures through quantum mechanical tunneling of light hydrogen atoms. Although tunneling processes involving molecules or heavy atoms are well known in the condensed phase, analogous gas-phase processes have never been demonstrated experimentally. Here, we studied the activated CH + CO2 → HCO + CO reaction in a supersonic flow reactor, measuring rate constants that increase rapidly below 100 K. Mechanistically, tunneling is shown to occur by CH insertion into the C-O bond, with rate calculations accurately reproducing the experimental values. To exclude the possibility of H-atom tunneling, CD was used in additional experiments and calculations. Surprisingly, the equivalent CD + CO2 reaction accelerates at low temperature as zero-point energy effects remove the barrier to product formation. In conclusion, heavy-particle tunneling effects might be responsible for the observed reactivity increase at lower temperatures for the CH + CO2 reaction, while the equivalent effect for the CD + CO2 reaction results instead from a submerged barrier with respect to reactants.

Rate constants for the N(2D) + C2H2 reaction over the 50-296 K temperature range.

The reactions of metastable atomic nitrogen N(2D) are important processes in the gas-phase chemistry of several planetary atmospheres. Here we present a combined experimental and theoretical investigation of the N(2D) + acetylene reaction due to its potential significance for the photochemistry of Titan's atmosphere. Experimentally, a continuous supersonic flow reactor was used to study this reaction over the 50-296 K temperature range employing pulsed laser photolysis and vacuum ultraviolet laser induced fluorescence to produce and detect N(2D) atoms, respectively. The measured rate constants are substantially larger than those obtained in earlier work and remain constant as a function of temperature. Moreover, these results are supported by new electronic structure calculations, which indicate that this process is likely to be barrierless. The impact of the new rate constants on Titan's atmospheric chemistry is tested through simulations using a 1D coupled ion-neutral photochemical model.

A low temperature investigation of the N(2D) + CH4, C2H6 and C3H8 reactions.

The gas-phase reactions between metastable nitrogen atoms, N(2D) and saturated hydrocarbons CH4, C2H6 and C3H8 have been investigated using a supersonic flow reactor over the 296-75 K temperature range. N(2D) was generated as a product of the C(3P) + NO → N(2D) + CO reaction, with C(3P) atoms created in situ by pulsed laser photolysis of CBr4. The kinetics of N(2D) loss were followed by vacuum ultraviolet laser induced fluorescence. The measured rate constants for the N(2D) + CH4 reaction are in good agreement with earlier work and extend the available kinetic data for this process down to 127 K. The measured rate constants for the N(2D) + C2H6 and N(2D) + C3H6 reactions are in reasonable agreement with previous work at room temperature and extend the available kinetic data for these processes down to 75 K. The rate constants for all three reactions decrease as the temperature falls, indicating the presence of activation barriers for these processes. While the recommended values for the low temperature rate constants of the N(2D) + CH4 reaction are close to those reported here, the previous recommendations for the other saturated hydrocarbon reactions significantly overestimate the rate constants for these processes. The effects of the new rate constants on a coupled ion-neutral photochemical model of Titan's atmosphere are discussed.

Low-Temperature Rate Constants and Product-Branching Ratios for the C(1D) + H2O Reaction.

The gas-phase reaction between atomic carbon in its first electronically excited 1D state and water has been studied over the 50-296 K temperature range using a supersonic flow apparatus. C(1D) atoms were produced by pulsed ultraviolet multiphoton dissociation of carbon tetrabromide; a process that also generates ground-state atomic carbon C(3P). The reaction was followed by detecting product H-atoms by pulsed vacuum ultraviolet laser-induced fluorescence. Two types of experiment were performed. First, temperature-dependent rate constants were derived by recording H-atom formation curves at various gas-phase water concentrations at each temperature. Secondly, temperature-dependent H-atom yields were extracted by comparing the H-atom fluorescence intensities generated by the target C(1D) + H2O reaction with those of a reference reaction. The second-order rate constants are large and increase to low temperature, whereas the measured H-atom yields are close to the theoretical maximum value of 2 above 100 K. At 50 K, neither rate constants nor H-atom yields could be derived because of H-atom formation by quantum tunneling in the activated C(3P) + H2O reaction. The present results are discussed in the context of earlier work on the C(1D)/C(3P) + H2O reactions.

Experimental and Theoretical Study of the O(1D) + HD Reaction.

This work addresses the kinetics and dynamics of the gas-phase reaction between O(1D) and HD molecules down to low temperature. Here, measurements were performed by using a supersonic flow (Laval nozzle) reactor coupled with pulsed laser photolysis for O(1D) production and pulsed-laser-induced fluorescence for O(1D) detection to obtain rate constants over the 50-300 K range. Additionally, temperature-dependent branching ratios (OD + H/OH + D) were obtained experimentally by comparison of the H/D atom atom yields with those of a reference reaction. In parallel, theoretical rate constants and branching ratios were calculated by using three different techniques; mean potential phase space theory (MPPST), the statistical quantum mechanical method (SQM), and ring polymer molecular dynamics (RPMD). Although the agreement between experimental and theoretical rate constants is reasonably good, with differences not exceeding 30% over the entire temperature range, the theoretical branching ratios derived by the MPPST and SQM methods are as much as 50% larger than the experimental ones. These results are presented in the context of earlier work, while the possible origins of the discrepancies between experiment and theory are discussed.

A low temperature investigation of the gas-phase N(2D) + NO reaction. Towards a viable source of N(2D) atoms for kinetic studies in astrochemistry.

The gas-phase reaction of metastable atomic nitrogen N(2D) with nitric oxide has been investigated over the 296-50 K temperature range using a supersonic flow reactor. As N(2D) could not be produced photolytically in the present work, these excited state atoms were generated instead through the C(3P) + NO → N(2D) + CO reaction while C(3P) atoms were created in situ by the 266 nm pulsed laser photolysis of CBr4 precursor molecules. The kinetics of N(2D) atoms were followed on-resonance by vacuum ultraviolet laser induced fluorescence at 116.7 nm. The measured rate constants for the N(2D) + NO reaction are in excellent agreement with most of the earlier work at room temperature and represent the only available kinetic data for this process below 296 K. The rate constants are seen to increase slightly as the temperature falls to 100 K with a more substantial increase at even lower temperature; a finding which is not reproduced by theoretical work. The prospects for using this chemical source of N(2D) atoms in future studies of a wide range of N(2D) atom reactions are discussed.

A combined theoretical and experimental investigation of the kinetics and dynamics of the O(1D) + D2 reaction at low temperature.

The O(1D) + H2 reaction is a prototype for simple atom-diatom insertion type mechanisms considered to involve deep potential wells. While exact quantum mechanical methods can be applied to describe the dynamics, such calculations are challenging given the numerous bound quantum states involved. Consequently, efforts have been made to develop alternative theoretical strategies to portray accurately the reactive process. Here we report an experimental and theoretical investigation of the O(1D) + D2 reaction over the 50-296 K range. The calculations employ three conceptually different approaches - mean potential phase space theory, the statistical quantum mechanical method and ring polymer molecular dynamics. The calculated rate constants are in excellent agreement over the entire temperature range, exhibiting only weak temperature dependence. The agreement between experiment and theory is also very good, with discrepancies smaller than 26%. Taken together, the present and previous theoretical results validate the hypothesis that long-lived complex formation dominates the reaction dynamics at low temperature.

Rate Constants and H-Atom Product Yields for the Reactions of O(1D) Atoms with Ethane and Acetylene from 50 to 296 K.

The gas phase reactions of atomic oxygen in its first excited state with ethane and acetylene have been investigated in a continuous supersonic flow reactor over the temperature range from 50 to 296 K. O(1D) atoms were produced by the pulsed laser photolysis of ozone at 266 nm. Two different types of experiments, kinetics measurements and H-atom product yield determinations, were performed by detecting O(1D) atoms and H(2S) atoms, respectively, by vacuum ultraviolet laser-induced fluorescence. The measured rate constants are in agreement with previous work at room temperature, and little or no temperature dependence was observed as the temperature was decreased to 50 K. H-atom yields were found to be independent of temperature for the reaction of O(1D) with ethane. These product yields are discussed in the context of earlier dynamics measurements at higher temperature. Due to the influence of secondary reactions, no H-atom yields could be obtained for the reaction of O(1D) with acetylene.

Kinetics of the Gas-Phase O(1D) + CO2 and C(1D) + CO2 Reactions over the 50-296 K Range.

The kinetics of the reactions of CO2 with atomic oxygen and atomic carbon in their first excited singlet states have been studied at room temperature and below using the Laval nozzle reactor method. O(1D) and C(1D) atoms were created in situ by the 266 nm pulsed laser photolysis of O3 and CBr4 precursor molecules, respectively. While O(1D) atoms were detected directly by vacuum ultraviolet laser-induced fluorescence at 115 nm, C(1D) atoms were followed indirectly through a chemical tracer method. The measured rate constants for the O(1D) + CO2 reaction are found to be in excellent agreement with earlier work and extend the available kinetic data for this process down to 50 K. The present work represents the first kinetics study of the C(1D) + CO2 reaction below room temperature. Both reactions display rate constants that increase as the temperature falls, with a more substantial rate increase observed for the O(1D) + CO2 reaction. This finding could be due to the increasing lifetimes of the intermediate species involved at lower temperatures.

Experimental and theoretical investigation of the temperature dependent electronic quenching of O(1D) atoms in collisions with Kr.

The kinetics and dynamics of the collisional electronic quenching of O(1D) atoms by Kr have been investigated in a joint experimental and theoretical study. The kinetics of quenching were measured over the temperature range 50-296 K using the Laval nozzle method. O(1D) atoms were prepared by 266 nm photolysis of ozone, and the decay of the O(1D) concentration was monitored through vacuum ultraviolet fluorescence at 115.215 nm, from which the rate constant was determined. To interpret the experiments, a quantum close-coupling treatment of the quenching transition from the 1D state to the 3Pj fine-structure levels in collisions with Kr, and also Ar and Xe, was carried out. The relevant potential energy curves and spin-orbit coupling matrix elements were obtained in electronic structure calculations. We find reasonable agreement between computed temperature-dependent O(1D)-Rg (Rg = Ar, Kr, Xe) quenching rate constants and the present measurements for Kr and earlier measurements. In particular, the temperature dependence is well described.