Estimates of daily oxygen consumption,carbon dioxide and methane emissions,and heat production for beef and dairy cattle using spot gas sampling

A simulation study was conducted to examine accuracy of estimating daily O₂ consumption, CO₂ and CH₄ emissions, and heat production (HP) using a spot sampling technique and to determine optimal spot sampling frequency (FQ). Data were obtained from 3 experiments where daily O₂ consumption, emissions of CO₂ and CH₄, and HP were measured using indirect calorimetry (respiration chamber or headbox system). Experiment 1 used 8 beef heifers (ad libitum feeding; gaseous exchanges measured every 30 min over 3 d in respiration chambers); Experiment 2 used 56 lactating Holstein-Friesian cows (restricted feeding; gaseous exchanges measured every 12 min over 3 d in respiration chambers); Experiment 3 used 12 lactating Jersey cows (ad libitum feeding; gaseous exchanges measured every hour for 1 d using headbox style chambers). Within experiment, averages of all measurements (FQALL) and averages of measurements selected at time points with 12, 8, 6, or 4 spot sampling FQ (i.e., sampling every 2, 3, 4, and 6 h in a 24-h cycle, respectively; FQ12, FQ8, FQ6, and FQ4, respectively) were compared. Within study a mixed model was used to compare gaseous exchanges and HP among FQALL, FQ12, FQ8, FQ6, and FQ4, and an interaction of dietary treatment by FQ was examined. A regression model was used to evaluate accuracy of spot sampling within study [i.e., FQALL (observed) vs. FQ12, FQ8, FQ6, or FQ4 (estimated)]. No interaction of diet by FQ was observed for any variables except for CH₄ production in experiment 1. No FQ effect was observed for gaseous exchanges and HP except in experiment 2 where CO₂ production was less (5,411 vs. 5,563 L/d) for FQ4 compared with FQALL, FQ12, and FQ8. A regression analysis between FQALL and each FQ within study showed that slopes and intercepts became farther from 1 and 0, respectively, for almost all variables as FQ decreased. Most variables for FQ12 and FQ8 had root mean square prediction error (RMSPE) less than 10% of the mean and concordance correlation coefficient (CCC) greater than 0.80, and RMSPE increased and CCC decreased as FQ decreased. When a regression analysis was conducted with combined data from the 3 experiments (mixed model with study as a random effect), results agreed with those from the analysis for the individual studies. Prediction errors increased and CCC decreased as FQ decreased. Generally, all the estimates from FQ12, FQ8, FQ6, and FQ4 had RMSPE less than 10% of the means and CCC greater than 0.90 except for FQ6 and FQ4 for O₂ consumption and CH₄ production. In conclusion, the spot sampling simulation with 3 indirect calorimetry experiments indicated that FQ of at least 8 samples (every 3 h in a 24-h cycle) was required to estimate daily O₂ consumption, CO₂ and CH₄ production, and HP and to detect changes in those in response to dietary treatments. This sampling FQ may be considered when using techniques that measure spot gas exchanges such as the GreenFeed and face mask systems.     

空间曲线的特征识别与高质量非均匀采样

为避免传统均匀采样方法因忽视曲线重要特征而生成不理想的采样结果,获得给定数量且由特征点和辅助点组成的采样点序列,提出基于特征识别的高质量空间曲线非均匀采样方法.首先使用抛物线插值法得到曲线上所有曲率极大值点和挠率极大值点的近似位置,经筛选后产生特征点,以更好地抓住空间曲线的轮廓特征.然后定义基于弧长、曲率和挠率加权组合的特征函数,并以此自适应地选取曲线上的辅助点.与3种主流采样方法比较的实验结果表明,该方法能够获得更高质量的采样结果且具有更好的实用性,从而进一步改善空间曲线的B样条拟合效果.     

Density functional theory study of the hydrogen evolution reaction in haeckelite boron nitride quantum dots

To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments.     

Superswelling Microneedle Arrays for Dermal Interstitial Fluid (Prote)Omics

The noninvasive sampling of dermal interstitial fluid (ISF) for the monitoring of clinical biomarkers is a greatly appealing area of research. The identification of molecular biomarkers in biological fluids has been accelerated with -omics analyses but remains limited in ISF because of its time-consuming and complex extraction process. Here, the generation of microneedle (MN) patches made of superabsorbent acrylate-based hydrogels for the rapid sampling of dermal ISF is described to explore its proteome. In depth, iterative optimization allows the identification of novel acrylate-based compositions with the required chemical, mechanical, and biocompatibility properties allowing proteomic analysis of the extracted ISF for the first time after sampling with swelling MNs. The generated MN arrays show no cytotoxic effect, successfully cross the stratum corneum, and can collect up to 6 µL of dermal ISF in 10 min in vivo. Proteomics lead to the detection of 176 clinically relevant biomarkers in the collected samples validating the use of ISF as a relevant bodily fluid for disease monitoring and diagnostic. Importantly, it is discovered that extraction fingerprint is strongly dependent on the MNs chemistry, and thus specific biomarkers could be selectively extracted by tuning the composition of the patch, making the system versatile and specific.     

A novel adaptive sampling based methodology for feasible region identification of compute intensive models using artificial neural network

Identification of feasible region of operations in multivariate processes is a problem of interest in several fields. This is particularly challenging when the process model is black-box in nature and/or is computationally expensive, as analytical solutions are not available and the number of possible model evaluations is limited. An efficient methodology is required to identify samples where the model is evaluated for developing a computationally efficient surrogate model. In this work, an artificial neural network based surrogate model is proposed which is integrated with a statistical-based approach (Jack-knifing) to estimate the variance of the surrogate model prediction. This allows implementation of an adaptive sampling approach where new samples are identified close to the feasible region boundary or in regions of high prediction uncertainty. The proposed approach performs better than a previously published kriging based method for different dimensionality case studies.     

A three-dimensional surface measurement system implemented with Gaussian process based adaptive sampling

Self-adaptive surface measurements that can reduce data redundancy and improve time efficiency are in high demand in many fields of science and technology. For this purpose, a system implemented with Gaussian process (GP) adaptive sampling is developed. The non-parametric GP model is applied to reconstruct the topography and guide the subsequent sampling position, which is determined from the inference uncertainty estimation. A criterion is proposed to terminate the GP adaptive measurement automatically without any prior model or data of the topography. Experiments on typical surfaces validate the intelligence, adaptability, and high accuracy of the GP method along with the stabilization of the automatic iteration termination. Compared with traditional raster sampling, data redundancy is reduced and the time efficiency is improved without sacrificing the surface reconstruction accuracy. The proposed method can be implemented in other systems with similar measurement principles, thus benefitting surface characterizations.     

Evaluation of Non-Ambiguous Critical Micelle Concentration of Surfactants in Relation to Solution Behaviors of Pure and Mixed Surfactant Systems: A Physicochemical Documentary and Analysis

Critical micelle concentration (CMC) is a fundamental physical parameter of surfactant aggregation in solution. The CMC is determined by different methods, tensiometry, conductometry, microcalorimetry, fluorimetry, and so on. However, it is known that though CMC is reported as a single value, in reality, micelle formation occurs over a narrow range of concentration for different experimental procedures produce different results. We shall discuss about a unique procedure of measuring correct CMC applicable to all potential methods used in practice. This is essential for the evaluation of thermodynamic properties of the micelle forming process in pure and mixed states in terms of solution theories. As we in this short documentary want to deal with various aspects of Milton Rosen's research—wherein we have also worked—a few other facets of surfactant chemistry research, besides the micelle formation, are also briefly discussed. In mixed surfactant systems, synergistic effects in various surfactant properties like detergency, foaming, solubilization, and so on are found whereas in some others non-synergistic effects are observed. Dehydration of micelles with an increase in temperature or by the addition of hydrophilic substances may cause clouding to the system. Soluble amphiphilic systems produce Gibbs monolayer at the air/water interface; insoluble amphiphiles form Langmuir monolayers. A documentary of the above aspects will be herein presented and discussed. We mention that this article is neither an original research article nor a review article. This is a mixture of the two: a documentary of both original research and some review of our works presented in memory of Prof. Milton Rosen.     

放射性气载流出物取样代表性分析

为获取核设施放射性气载流出物单点连续监测取样位置,提出基于随机轨道模型(DRW)的气-固多相湍流耦合方法求解代表性取样区域。借助k-epsilon湍流模型模拟连续相,并引入离散颗粒模型(DPM)模拟离散相,建立基于DRW模型的排风管道内流道气-固多相湍流耦合计算模型,计算了核设施气载流出物在管道内流道流场分布规律,分析了内流道流体气旋角、气流速度、示踪气体浓度、气溶胶粒子浓度与管道高度间的关联关系。分析结果表明,随着截面高度的增加,气旋角、气流速度变异系数(COV)、示踪气体浓度COV及示踪气体浓度最大值与平均值的偏差逐渐降低并趋于稳定,气溶胶粒子浓度COV在截面6与截面8满足取样代表性要求;基于计算流体动力学方法可快速地确定出代表性取样位置,为气载流出物单点取样现场试验提供了理论参考依据。     

Transport Map sampling with PGD model reduction for fast dynamical Bayesian data assimilation

The motivation of this work is to address real-time sequential inference of parameters with a full Bayesian formulation. First, the proper generalized decomposition (PGD) is used to reduce the computational evaluation of the posterior density in the online phase. Second, Transport Map sampling is used to build a deterministic coupling between a reference measure and the posterior measure. The determination of the transport maps involves the solution of a minimization problem. As the PGD model is quasi-analytical and under a variable separation form, the use of gradient and Hessian information speeds up the minimization algorithm. Eventually, uncertainty quantification on outputs of interest of the model can be easily performed due to the global feature of the PGD solution over all coordinate domains. Numerical examples highlight the performance of the method.     

Predicting employee information security policy compliance on a daily basis: The interplay of security-related stress,emotions, and neutralization

We conceptualized security-related stress (SRS) and proposed a theoretical model linking SRS, discrete emotions, coping response, and information security policy (ISP) compliance. We used an experience sampling design, wherein 138 professionals completed surveys. We observed that SRS had a positive association with frustration and fatigue, and these negative emotions were associated with neutralization of ISP violations. Additionally, frustration and fatigue make employees more likely to follow through on their rationalizations of ISP violations by decreased ISP compliance. Our findings provide evidence that neutralization is not a completely stable phenomenon but can vary within individuals from one time point to another.