Adopters and non-adopters of business-to-business electronic commerce in Singapore

Although there has been an increase in research studies of business-to-business (B2B) electronic commence (e-commerce), most studies were carried out in the United States or Europe. There are very limited studies on B2B e-commerce in the Asian context. Our effort examined Web-based B2B e-commerce initiatives in Singapore, an island of 650 km² in South–East Asia. Data were collected from 108 firms using a mail survey, which showed that 52.8% firms have adopted B2B e-commerce; of these, two-third had a formal plan and/or task force for B2B e-commerce deployment. Customer-related applications were generally more common than supplier-related applications. Problems in B2B e-commerce adoption included the difficulty of measuring benefits, fear of granting suppliers and customers access to corporate systems and insufficient time for staff to develop new skills in e-commerce. Implications of the results are discussed.     

Differential innovation of smartphone and application use by sociodemographics and personality

In the current study, we explore predictors of smartphone and smartphone application use in a large, diverse, population representative South Korean sample (N = 9482). Sociodemographics (e.g., gender, age, education, and income) were major predictors of smartphone and smartphone application use. Generally, younger, educated, and wealthy individuals tended to use smartphones and smartphone applications to a greater extent. Females tended to use smartphones, e-commerce applications, and relational applications more compared to males. Openness, extraversion, and conscientiousness were associated with increased probability of smartphone ownership. Extraversion was associated with decreased literacy application use and increased relational application use. Conscientiousness was associated with decreased e-commerce application use. These results imply that sociodemographics and personality predict smartphone innovation.     

Enhancement of second-order nonlinear optical response in boron nitride nanocone: Li-doped effect

The unusual properties of Li-doped boron nitride nanomaterials have been paid further attention due to their wide applications in many promising fields. Here, density functional theory (DFT) calculations have been carried out to investigate the second-order nonlinear optical (NLO) properties of boron nitride nanocone (BNNC) and its Li-doped BNNC derivatives. The natural bond orbital charge, electron location function, localized orbital locator and frontier molecular orbital analysis offer further insights into the electron density of the Li-doped BNNC derivatives. The electron density is effectively bounded by the Li atom and its neighboring B atoms. The Li-doped BNNC molecules exhibit large static first hyperpolarizabilities (β_tot) up to 1.19 × 10³ a.u. for Li@2N-BNNC, 5.05 × 10³ a.u. for Li@2B-BNNC, and 1.08 × 10³ a.u. for Li@BN-BNNC, which are significantly larger than that of the non-doped BNNC (1.07 × 10² a.u.). The further investigations show that there are clearly dependencies of the first hyperpolarizabilities on the transition energies and oscillator strengths. Moreover, time-dependent DFT results show that the charge transfer from BNNC to Li atom becomes more pronounced as doping the Li atom to BNNC. It is also found that the frequency-dependent effect on the first hyperpolarizabilities is weak, which may be beneficial to experimentalists for designing Li-doped BNNC molecules with large NLO responses.     

Spectroscopic and photoluminescence properties of MgO:Cr3+ nanosheets for WLEDs

This work explores the synthesis of nanocrystalline MgO:Cr³⁺ (1–9 mol%) nanophosphors via solution combustion route at 400 °C. The nanophosphors were well characterized by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and Fourier transform infra-Red (FTIR) spectroscopy. PXRD results confirm cubic phase and SEM micrographs indicate that the particles are highly porous and agglomerated. The TEM images show that the powder consists of spherical particles of size ∼5–15 nm. Upon 356 nm excitation the emission profile of MgO:Cr³⁺ exhibits an emission peak at 677 nm due to ²E_g → ⁴A_2g transition. It was observed that PL intensity increases with increase in Cr³⁺ concentration and highest PL intensity was observed for 3 mol% doped sample and afterward it decreases, attributed to concentration quenching. The resultant CIE chromaticity co-ordinates in the white region make the present phosphor highly useful for display applications and also for white light-emitting diodes (WLEDs).     

Tuning the push–pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives

Using the density functional theory methods, we effectively tune the second-order nonlinear optical (NLO) properties in some chalcone derivatives. Various unique push–pull configurations are used to efficiently enhance the intramolecular charge transfer process over the designed derivatives, which result in significantly larger amplitudes of the first hyperpolarizability as compared to their parent molecule. The ground state molecular geometries have been optimized using B3LYP/6-311G** level of theory. A variety of methods including B3LYP, CAM-B3LYP, PBE0, M06, BHandHLYP and MP2 are tested with 6-311G** basis set to calculate the first hyperpolarizability of parent system 1. The results of M06 are found closer to highly correlated MP2 method, which has been selected to calculate static and frequency dependent first hyperpolarizability amplitudes of all selected systems. At M06/6-311G** level of theory, the permanent electronic dipole moment (μ_tot), polarizability (α₀) and static first hyperpolarizability (β_tot) amplitudes for parent system 1 are found to be 5.139 Debye, 274 a. u. and 24.22 × 10⁻³⁰ esu, respectively. These amplitudes have been significantly enhanced in designed derivatives 2 and 3. More importantly, the (β_tot) amplitudes of systems 2 and 3 mount to 75.78 × 10⁻³⁰ and 128.51 × 10⁻³⁰ esu, respectively, which are about 3 times and 5 times larger than that of their parent system 1. Additionally, we have extended the structure-NLO property relationship to several newly synthesized chalcone derivatives. Interestingly, the amplitudes of dynamic frequency dependent hyperpolarizability μβ_ω (SHG) are also significantly larger having values of 366.72 × 10⁻⁴⁸, 856.32 × 10⁻⁴⁸ and 1913.46 × 10⁻⁴⁸ esu for systems 1–3, respectively, at 1400 nm of incident laser wavelength. The dispersion behavior over a wide range of change in wavelength has also been studied adopting a range of wavelength from 1907 to 544 nm. Thus, the present work realizes the potential of designed derivatives as efficient NLO-phores for modern NLO applications.     

A DFT study on the central-ring doped HBC nanographenes

Nanographenes (NGs) are a segment of graphene whose dangling bonds are saturated with hydrogen atoms, introducing different properties and promising applications. Here we investigate the electronic, thermodynamic, optical, and structural properties of four C₃₆X₃Y₃H₁₈ NGs (X = B, and Al; and Y = N, and P) based on the density functional theory calculations. It was mainly found that 1) BN-NG is planar molecule and the others are buckybowl-shaped ones, 2) The bowl-to-bowl inversion Gibbs free energies (ΔG^#) of buckybowl shaped NGs are very huge and the rate constant is very small, hindering the inversion, 3) The relative energetic stability order based on the standard enthalpy of formation (ΔH_f^°) is as BN > AlN > BP > AlP, which the BN, and AlN doped NGs are stable at room temperature but the BP and AlP doped ones are instable, 4) The electrical conductivity order of magnitude is inverse of that of stability, 5) An exciton binding energy is predicted in the range of 0.57–0.75 eV for the NGs which corresponds to Frenkel exciton type, 6) the NGs are not soluble in organic solvent in agreement with the experimental results and is partially soluble in water solvent with Gibbs free energy of solvation (ΔG_solv) in the range of −6.1 to −10.1 kcal/mol.     

Darwin: A neuromorphic hardware co-processor based on spiking neural networks

Spiking Neural Network (SNN) is a type of biologically-inspired neural networks that perform information processing based on discrete-time spikes, different from traditional Artificial Neural Network (ANN). Hardware implementation of SNNs is necessary for achieving high-performance and low-power. We present the Darwin Neural Processing Unit (NPU), a highly-configurable neuromorphic hardware co-processor based on SNN implemented with digital logic, supporting a configurable number of neurons, synapses and synaptic delays. The Darwin NPU was fabricated by standard 180 nm CMOS technology with area size of 5 × 5 mm² and 70 MHz clock frequency at the worst case. It consumes 0.84 mW/MHz with 1.8 V power supply for typical applications. Two prototype applications are used to demonstrate the performance and efficiency of the Darwin NPU.     

Remote sensing of canopy light use efficiency in temperate and boreal forests of North America using MODIS imagery

Light use efficiency (LUE) is an important variable characterizing plant eco-physiological functions and refers to the efficiency at which absorbed solar radiation is converted into photosynthates. The estimation of LUE at regional to global scales would be a significant advantage for global carbon cycle research. Traditional methods for canopy level LUE determination require meteorological inputs which cannot be easily obtained by remote sensing. Here we propose a new algorithm that incorporates the enhanced vegetation index (EVI) and a modified form of land surface temperature (T_m) for the estimation of monthly forest LUE based on Moderate Resolution Imaging Spectroradiometer (MODIS) imagery. Results demonstrate that a model based on EVI × T_m parameterized from ten forest sites can provide reasonable estimates of monthly LUE for temperate and boreal forest ecosystems in North America with an R² of 0.51 (p < 0.001) for the overall dataset. The regression coefficients (a, b) of the LUE–EVI × T_m correlation for these ten sites have been found to be closely correlated with the average EVI (EVI_ave, R² = 0.68, p = 0.003) and the minimum land surface temperature (LST_min, R² = 0.81, p = 0.009), providing a possible approach for model calibration. The calibrated model shows comparably good estimates of LUE for another ten independent forest ecosystems with an overall root mean square error (RMSE) of 0.055 g C per mol photosynthetically active radiation. These results are especially important for the evergreen species due to their limited variability in canopy greenness. The usefulness of this new LUE algorithm is further validated for the estimation of gross primary production (GPP) at these sites with an RMSE of 37.6 g C m^? 2 month^? 1 for all observations, which reflects a 28% improvement over the standard MODIS GPP products. These analyses should be helpful in the further development of ecosystem remote sensing methods and improving our understanding of the responses of various ecosystems to climate change.     

The effect of sinusoidal rolling ground motion on lifting biomechanics

The objective of this study was to quantify the effects of ground surface motion on the biomechanical responses of a person performing a lifting task. A boat motion simulator (BMS) was built to provide a sinusoidal ground motion (simultaneous vertical linear translation and a roll angular displacement) that simulates the deck motion on a small fishing boat. Sixteen participants performed lifting, lowering and static holding tasks under conditions of two levels of mass (5 and 10 kg) and five ground moving conditions. Each ground moving condition was specified by its ground angular displacement and instantaneous vertical acceleration: A): +6°, −0.54 m/s²; B): +3°, −0.27 m/s²; C): 0°, 0 m/s²; D): −3°, 0.27 m/s²; and E): −6°, 0.54 m/s². As they performed these tasks, trunk kinematics were captured using the lumbar motion monitor and trunk muscle activities were evaluated through surface electromyography. The results showed that peak sagittal plane angular acceleration was significantly higher in Condition A than in Conditions C, D and E (698°/s² vs. 612–617°/s²) while peak sagittal plane angular deceleration during lowering was significantly higher in moving conditions (conditions A and E) than in the stationary condition C (538–542°/s² vs. 487°/s²). The EMG results indicate that the boat motions tend to amplify the effects of the slant of the lifting surface and the external oblique musculature plays an important role in stabilizing the torso during these dynamic lifting tasks.     

Mechanical design and characterization of a resonant magnetic field microsensor with linear response and high resolution

A resonant magnetic field microsensor based on Microelectromechanical Systems (MEMS) technology including a piezoresistive detection system has been designed, fabricated, and characterized. The mechanical design for the microsensor includes a symmetrical resonant structure integrated into a seesaw rectangular loop (700 μm × 450 μm) of 5 μm thick silicon beams. An analytical model for estimating the first resonant frequency and deflections of the resonant structure by means of Rayleigh and Macaulay's methods is developed. The microsensor exploits the Lorentz force and presents a linear response in the weak magnetic field range (40–2000 μT). It has a resonant frequency of 22.99 kHz, a sensitivity of 1.94 V T^?1, a quality factor of 96.6 at atmospheric pressure, and a resolution close to 43 nT for a frequency difference of 1 Hz. In addition, the microsensor has a compact structure, requires simple signal processing, has low power consumption (16 mW), as well as an uncomplicated fabrication process. This microsensor could be useful in applications such as the automotive sector, the telecommunications industry, in consumer electronic products, and in some medical applications.     

Consensus scoring model for the molecular docking study of mTOR kinase inhibitor

The discovery of mammalian target of rapamycin (mTOR) kinase inhibitors has always been a research hotspot of antitumor drugs. Consensus scoring used in the docking study of mTOR kinase inhibitors usually improves hit rate of virtual screening. Herein, we attempt to build a series of consensus scoring models based on a set of the common scoring functions. In this paper, twenty-five kinds of mTOR inhibitors (16 clinical candidate compounds and 9 promising preclinical compounds) are carefully collected, and selected for the molecular docking study used by the Glide docking programs within the standard precise (SP) mode. The predicted poses of these ligands are saved, and revaluated by twenty-six available scoring functions, respectively. Subsequently, consensus scoring models are trained based on the obtained rescoring results by the partial least squares (PLS) method, and validated by Leave-one-out (LOO) method. In addition, three kinds of ligand efficiency indices (BEI, SEI, and LLE) instead of pIC₅₀ as the activity could greatly improve the statistical quality of build models. Two best calculated models 10 and 22 using the same BEI indice have following statistical parameters, respectively: for model 10, training set R² = 0.767, Q² = 0.647, RMSE = 0.024, and for test set R² = 0.932, RMSE = 0.026; for model 22, raining set R² = 0.790, Q² = 0.627, RMSE = 0.023, and for test set R² = 0.955, RMSE = 0.020. These two consensus scoring model would be used for the docking virtual screening of novel mTOR inhibitors.     

Thermodynamic modeling of the Co–Fe–O system

As a part of the research project aimed at developing a thermodynamic database of the La–Sr–Co–Fe–O system for applications in Solid Oxide Fuel Cells (SOFCs), the Co–Fe–O subsystem was thermodynamically re-modeled in the present work using the CALPHAD methodology. The solid phases were described using the Compound Energy Formalism (CEF) and the ionized liquid was modeled with the ionic two-sublattice model based on CEF. A set of self-consistent thermodynamic parameters was obtained eventually. Calculated phase diagrams and thermodynamic properties are presented and compared with experimental data. The modeling covers a temperature range from 298 K to 3000 K and oxygen partial pressure from 10⁻¹⁶ to 10² bar. A good agreement with the experimental data was shown. Improvements were made as compared to previous modeling results.     

The possibility of using C20 fullerene and graphene as semiconductor segments for detection,and destruction of cyanogen-chloride chemical agent

Detection of hazardous chemical species by changing the electrical conductivity of a semiconductor matter is a proposed and applied way for decreasing their subsequent unpleasant effects. Recently, many examples of using inorganic or organic materials, polymeric, and also nano-sized species as sensors were reported in which, in some cases, those matters were strongly affective and suitable.In this project, we have made an assessment on whether the graphene segment or C₂₀ fullerene, able to sense the existence of cyanogen chloride NCCl? In order to gain trustable results, the possible reaction pathways along with the adsorption kinetics were investigated. Moreover, the electronic density of states DOS showed that C₂₀ fullerene senses the existence of cyanogen chloride agent with a clearer signal (ΔE_g = 0.0110 eV) compared to the graphene segment (ΔE_g = 0.0001 eV). Also the adsorption energy calculations showed that cyanogen chloride could be adsorbed by the fullerene in a multi-step process (E_ads1 = −0.852 kcal mol⁻¹; E_ads2 = −0.446 kcal mol⁻¹; E_ads3 = −2.330 kcal mol⁻¹).     

A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis,molecular docking,density functional and molecular dynamics simulation study

Deregulated epigenetic activity of Histone deacetylase 1 (HDAC1) in tumor development and carcinogenesis pronounces it as promising therapeutic target for cancer treatment. HDAC1 has recently captured the attention of researchers owing to its decisive role in multiple types of cancer. In the present study a multistep framework combining ligand based 3D-QSAR, molecular docking and Molecular Dynamics (MD) simulation studies were performed to explore potential compound with good HDAC1 binding affinity. Four different pharmacophore hypotheses Hypo1 (AADR), Hypo2 (AAAH), Hypo3 (AAAR) and Hypo4 (ADDR) were obtained. The hypothesis Hypo1 (AADR) with two hydrogen bond acceptors (A), one hydrogen bond donor (D) and one aromatics ring (R) was selected to build 3D-QSAR model on the basis of statistical parameter. The pharmacophore hypothesis produced a statistically significant QSAR model, with co-efficient of correlation r² = 0.82 and cross validation correlation co-efficient q² = 0.70. External validation result displays high predictive power with r² (o) value of 0.88 and r² (m) value of 0.58 to carry out further in silico studies. Virtual screening result shows ZINC70450932 as the most promising lead where HDAC1 interacts with residues Asp99, His178, Tyr204, Phe205 and Leu271 forming seven hydrogen bonds. A high docking score (−11.17 kcal/mol) and lower docking energy −37.84 kcal/mol) displays the binding efficiency of the ligand. Binding free energy calculation was done using MM/GBSA to access affinity of ligands towards protein. Density Functional Theory was employed to explore electronic features of the ligands describing intramolcular charge transfer reaction. Molecular dynamics simulation studies at 50 ns display metal ion (Zn)-ligand interaction which is vital to inhibit the enzymatic activity of the protein.     

Remote sensing of the distribution and abundance of host species for spruce budworm in Northern Minnesota and Ontario

Insects and disease affect large areas of forest in the U.S. and Canada. Understanding ecosystem impacts of such disturbances requires knowledge of host species distribution patterns on the landscape. In this study, we mapped the distribution and abundance of host species for the spruce budworm (Choristoneura fumiferana) to facilitate landscape scale planning and modeling of outbreak dynamics. We used multi-temporal, multi-seasonal Landsat data and 128 ground truth plots (and 120 additional validation plots) to map basal area (BA), for 6.4 million hectares of forest in northern Minnesota and neighboring Ontario. Partial least-squares (PLS) regression was used to determine relationships between ground data and Landsat sensor data. Subsequently, BA was mapped for all forests, as well as for two specific host tree genera (Picea and Abies). These PLS regression analyses yielded estimates for overall forest BA with an R² of 0.62 and RMSE of 4.67 m² ha^? 1 (20% of measured BA), white spruce relative BA with an R² of 0.88 (RMSE = 12.57 m² ha^? 1 [20% of measured]), and balsam fir relative BA with an R² of 0.64 (RMSE = 6.08 m² ha^? 1 [33% of measured]). We also used this method to estimate the relative BA of deciduous and coniferous species, each with R² values of 0.86 and RMSE values of 9.89 m² ha^? 1 (23% of measured) and 9.78 m² ha^? 1 (16% of measured), respectively. Of note, winter imagery (with snow cover) and shortwave infrared-based indices – especially the shortwave infrared/visible ratio – strengthened the models we developed. Because ground measurements were made largely in forest stands containing spruce and fir, modeled results are not applicable to stands dominated by non-target conifers such as pines and cedar. PLS regression has proven to be an effective modeling tool for regional characterization of forest structure within spatially heterogeneous forests using multi-temporal Landsat sensor data.     

Investigation on luminescence of Na3Ca6(PO4)5:Eu2+ phosphor for LEDs

In this paper, a series of Na₃Ca_6(1−x)(PO₄)₅:xEu²⁺ (NCP:xEu²⁺, 0 ≤ x ≤ 4%) phosphors were prepared by conventional solid-state reaction method, and their photoluminescence properties were studied. Upon 365 nm excitation, the typical NCP:2%Eu²⁺ phosphor shows an asymmetric bluish green emission band with the dominant peak at 498 nm which could be attributed to the 4f⁶5d¹-4f⁷ transition of Eu²⁺. By measuring the time-resolved photoluminescence spectra, it reveals more than one Eu²⁺ emission center in the Eu²⁺-activated NCP phosphors. By monitoring 498 nm, the excitation spectrum of NCP:2%Eu²⁺ demonstrates a broad excitation band ranging from 240 to 450 nm, which can match well with the emission wavelength of the NUV LED chip. The SEM image shows that the average particle size of NCP:2%Eu²⁺ is about 19.4 µm. The above results imply that the NCP:Eu²⁺ phosphor could have potential application in LEDs.     

Interpretation and topographic compensation of conifer canopy self-shadowing

The self-shadowing of conifer canopies results from the size and arrangement of trees within a stand and is a first-order term controlling radiance from forested terrain at common pixel scales of tens of meters. Although self-shadowing is a useful attribute for forest remote-sensing classification, compensation for the topographic effects of self-shadowing has proven problematic. This study used airborne canopy LiDAR measurements of 80 Pacific Northwest, USA conifer stands ranging in development stage from pre-canopy closure to old-growth in order to model canopy self-shadowing for four solar zenith angles (SZA). The shadow data were compared to physical measurements used to characterize forest stands, and were also used to test and improve terrain compensation models for remotely sensed images of forested terrain. Canopy self-shadowing on flat terrain strongly correlates with the canopy's geometric complexity as measured by the rumple index (canopy surface area/ground surface area) (R² = 0.94–0.87 depending on SZA), but is less correlated with other stand measurements: 95th percentile canopy height (R² = 0.68), mean diameter at breast height (dbh) (R² = 0.65), basal area ha^? 1 (R² = 0.18), and canopy stem count ha^? 1 (R² = 0.18). The results in this paper support interpretation of self-shadowing as a function of canopy complexity, which is an important ecological characteristic in its own right. Modeling of canopy self-shadowing was used to assess the accuracy of the Sun-Canopy-Sensor (SCS) topographic correction, and to develop a new empirical Adaptive Shade Compensation (ASC) topographic compensation model. ASC used measured shadow (as an estimate of canopy complexity) and the SCS term (to describe the illumination geometry) as independent variables in multiple regressions to determine the topographic correction. The ASC model provided more accurate radiance corrections with limited variation in results across the full range of canopy complexities and incidence angles.     

Red emitting MTiO3 (M = Ca or Sr) phosphors doped with Eu3+ or Pr3+ with some cations as co-dopants

Ca (or Sr)TiO₃:Eu³⁺, M (Li⁺ or Na⁺ or K⁺) and CaTiO₃:Pr³⁺, M (Li⁺ or Na⁺ or Ag⁺ or K⁺ or Gd³⁺ or La³⁺) powders were prepared by combustion synthesis method and the samples were further heated to ～1000 °C to improve the crystallinity. The structure and morphology of materials were examined by X-ray diffraction (XRD) and a scanning electron microscopy (SEM). The morphologies of SrTiO₃:Eu³⁺, CaTiO₃:Eu³⁺ or CaTiO₃:Pr³⁺ powders co-doped with other metal ions were very similar. Small and coagulated particles of nearly cubical shapes with small size distribution having smooth and regular surface were formed. Photo-luminescence spectra of CaTiO₃:Pr³⁺ and co-doped either with Li⁺, Na⁺, K⁺, Ag⁺, La³⁺ or Gd³⁺ ions showed red emissions at 613 nm due to the ¹D₂ → ³H₄ transition of Pr³⁺. The variation of intensity of emission peak with different co-doping follows the order: K⁺ > Ag⁺ > Na⁺ > Li⁺ > La³⁺ > Gd³⁺. The characteristic emissions of CaTiO₃:Eu³⁺ lattices had strong emission at 614 and 620 nm for ⁵D₀ → ⁷F₂ with other weak transitions observed at 580, 592, 654, 705 nm for ⁵D₀ → ⁷F_n transitions where n = 0, 1, 3, 4 respectively in all host lattices. Photoluminescence intensity in SrTiO₃:Eu³⁺ is more than CaTiO₃:Eu³⁺ lattices. A remarkable increase of photoluminescence intensity (in ⁵D₀ → ⁷F₂ transition) was observed if co-doped with Li⁺ ions in CaTiO₃:Eu³⁺ and SrTiO3:Eu³⁺.     

Fluorescence detection of nitrogen dioxide with perylene/PMMA thin films

Thin films of polymethylmethacrylate (PMMA) doped with perylene provide selective, robust and easily prepared optical sensor films for NO₂ gas with suitable response times for materials aging applications. The materials are readily formed as 200 nm thin spin cast films on glass from chlorobenzene solution. The fluorescence emission of the films (λ_max=442 nm) is quenched upon exposure to NO₂ gas through an irreversible reaction forming non-fluorescent nitroperylene. Infrared, UV–VIS and fluorescence spectroscopies confirmed the presence of the nitro adduct in the films. In other atmospheres examined, such as air and 1000 ppm concentrations of SO₂, CO, Cl₂ and NH₃, the films exhibited no loss of fluorescence intensity over a period of days to weeks. Response curves were obtained for 1000, 100 and 10 ppm NO₂ at room temperature with equilibration times varying from hours to weeks. The response curves were fit using a numerical solution to the coupled diffusion and a nonlinear chemical reaction problem assuming that the situation is reaction limiting. The forward reaction constant fitted to experimental data was k_f∼0.06 (ppm min)⁻¹.