Microgravimetric Analysis Method for Activation-Energy Extraction from Trace-Amount Molecule Adsorption

Activation-energy (<i>E</i>_a) value for trace-amount adsorption of gas molecules on material is rapidly and inexpensively obtained, for the first time, from a microgravimetric analysis experiment. With the material loaded, a resonant microcantilever is used to record in real time the adsorption process at two temperatures. The kinetic parameter <i>E</i>_a is thereby extracted by solving the Arrhenius equation. As an example, two CO₂ capture nanomaterials are examined by the <i>E</i>_a extracting method for evaluation/optimization and, thereby, demonstrating the applicability of the microgravimetric analysis method. The achievement helps to solve the absence in rapid quantitative characterization of sorption kinetics and opens a new route to investigate molecule adsorption processes and materials

Additional file 1 of The serum lipid profiles in immune thrombocytopenia: Mendelian randomization analysis and a retrospective study

Supplementary Material

Microgravimetric Thermodynamic Modeling for Optimization of Chemical Sensing Nanomaterials

On the basis of microgravimetric sensing data, an analytical modeling method is proposed for comprehensive evaluation and optimization of gas sensing or adsorbing related functional materials. Resonant microcantilever is loaded with the material to be evaluated for a gravimetric sensing experiment. With sensing isotherm curves obtained at different temperatures, key thermodynamic and kinetic parameters of the material, such as enthalpy Δ<i><i>H</i>°</i>, Gibbs free energy, adsorption rate constant <i>K</i>_<i>a</i>, and coverage θ, etc., can be quantitatively extracted for optimal selection and design. On the basis of the gravimetric experiment, the modeling method is used on three sorts of trimethylamine sensing nanomaterials of mesoporous silica nanoparticles (MSNs). The COOH-functionalized material is clearly identified as the best sensing material among the three similar ones, thereby validating high accuracy of the proposed model. Broad applicability of the modeling method to other sensing materials and/or target gases is also experimentally confirmed, where sensing properties of a functionalized hyper-branched polymer to organophorous simulant of dimethyl methylphosphonate (DMMP) are still evaluated well. In addition to sensing materials, the gravimetric experiment-based modeling method can be expanded to other functional materials like moisture absorbents or detoxification agents. Water adsorbing experiment on KIT-5 mesoporous-silica is modeled, with the low −Δ<i><i>H</i>°</i> value (i.e., low adsorption heat) result, indicating that the KIT-5 is a good adsorbent to humidity. Alternatively, the modeled high −Δ<i><i>H</i>°</i> value (i.e., high reaction heat) shows promising usage of SBA-15 mesoporous-silica as detoxification material to hazardous organophorous chemicals. Therefore, the analytical modeling technology can be used for developing and evaluating new adsorbing materials for gas sensing, fixing, and detoxification applications

Machine Learning Combined with Weighted Voting Regression and Proactive Searching Progress to Discover ABO_3‑δ Perovskites with High Oxide Ionic Conductivity

ABO3‑δ-type perovskites are one of the important oxygen ion conductors because of the enhanced properties through adjustments to the composition via elemental doping. In this work, machine learning combined with weighted voting regression (WVR) and proactive searching progress (PSP) was used to develop a model with high accuracy for the prediction of the oxide ionic conductivity of doped ABO3‑δ perovskites. After feature selection, algorithm selection, and parameter optimization, Gradient Boosting regression (GBR), random forest regression (RFR), and extra trees regression (ETR) were determined to be the optimal methods for WVR in constructing the integrated model. The R values of leave-one-out cross-validation (LOOCV) and the test set for the integrated model MWVR could reach 0.812 and 0.920, respectively. After the PSP was conducted, a total of 179 perovskites with high oxide ionic conductivity were discovered. PSP searching identified 8 types of perovskites with high oxide ionic conductivity. Pattern recognition was employed to identify the optimization area that exhibited a high oxide ionic conductivity. Visualization of factor effects was used to visualize the effect of the doping element type and ratio on the oxide ionic conductivity. The Shapley Additive exPlanations (SHAP) analysis of the significant features revealed that Ra/Rb had the highest influence on the oxide ionic conductivity with a negative impact. The developed integrated model, explored patterns, and optimization areas in this work can serve as a valuable guide for the discovery and design of perovskites with high oxide ionic conductivity

Data_Sheet_1_Ghrelin Ameliorates Traumatic Brain Injury by Down-Regulating bFGF and FGF-BP.XLS

<p>Traumatic brain injury (TBI) is a primary cause of disability and mortality. Ghrelin, a gastrointestinal hormone, has been found to have protective effects for the brain, but the molecular mechanism of these neuroprotective effects of ghrelin remains unclear. In this study, an electronic cortical contusion impactor was used to establish a rat TBI model and we investigated the effect of ghrelin on brain repair by neurological severity score and histological examination. An antibody array was employed to uncover the molecular mechanism of ghrelin’s neuroprotective effects by determining the alterations of multiple proteins in the brain cortex. As a result, ghrelin attenuated brain injury and promoted brain functional recovery. After TBI, 13 proteins were up-regulated in the brain cortex, while basic fibroblast growth factor (bFGF) and fibroblast growth factor-binding protein (FGF-BP) were down-regulated after ghrelin treatment. It is known that bFGF can induce angiogenesis in the brain and accelerate wound healing, which can be further enhanced by FGF-BP. Based on the previous studies, it is hypothesized that the exogenous ghrelin curing TBI might cause the closure of bFGF and FGF-BP functions on wound healing, or ghrelin might exert the neuroprotective effects by competitively inhibiting bFGF/FGF-BP-induced neovascularization. Whether the combinational administration of ghrelin and bFGF/FGF-BP can enhance or weaken the therapeutic effect on TBI requires further research.</p

Effects of isolation, vaccination, and ventilation on attack rate (<i>δ</i>), day of peak infection (<i>T</i>_<i>p</i>), and percentage of infectors on day <i>T</i>_<i>p</i> (<i>λ</i>_<i>p</i>) under different quanta generation rates.

<p>Effects of isolation, vaccination, and ventilation on attack rate (<i>δ</i>), day of peak infection (<i>T</i>_<i>p</i>), and percentage of infectors on day <i>T</i>_<i>p</i> (<i>λ</i>_<i>p</i>) under different quanta generation rates.</p

The natural history of the airborne disease infection.

<p>We assume that in the natural history of airborne diseases a susceptible individual will pass through a latent period (, 11.6 days) after being exposed, followed by a symptomatic state (, 2.49 days), and will eventually reach an infectious state during which a rash appears (, 18.3 days). Both the fever onset and rash states are considered infectious [<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0162481#pone.0162481.ref026" target="_blank">26</a>]. Infected individuals will either recover or die (). We assume that in the baseline outbreak scenario, 50% of the patients with a rash will be hospitalized and isolated (), 95% of the rest will be isolated at home (); during the latter period the individual will stay home and not visit any other locations.</p

Control effects of increasing ventilation rates, isolation, and vaccination under a quanta generation rate of 2 quanta/h.

<p>A. Daily percentages of infectors under the baseline condition and control policies of increasing the ventilation rate in one type of location (Policy A to H). B. Baseline condition and increasing ventilation rate in all locations or a few types of locations (Policy I to P). The curves for Policy K and P are flat. C. Different ventilation, isolation, and vaccination control methods. The curves for Policy VAC3, VEN2, VEN3, and COM2 are all nearly flat (not shown).</p

Chemo-Mechanical Joint Detection with Both Dynamic and Static Microcantilevers for Interhomologue Molecular Identification

The study presents a novel chemo-mechanical joint-sensing method to distinguish a certain molecule from its homologous chemicals, using both a resonant cantilever for gravimetric sensing and a static cantilever for surface-stress sensing. Homologous amines of trimethylamine (TMA, Me₃N), dimethylamine (DMA, Me₂NH), and monomethylamine (MMA, MeNH₂) are herein used as model objects for investigation. The molecular identification is based on experimental characterizations on both molecule adsorbing capability (by the resonant cantilever) and intermolecular lateral interaction (by the static cantilever). The intensities of the two sets of sensing signals are expected to be in opposite sequence with each other, due to the complementary relationship among the interhomologue molecule structures, i.e., a molecule containing a greater number of methyl substituents must possess a fewer number of nonsubstituted hydrogens. On the basis of the proposed idea, ppm-level vapors of the three amines are sequentially detected by a resonant microcantilever to characterize the molecular adsorption speed and another static cantilever to characterize the intermolecular lateral attraction induced surface stress. From the experiment, a pair of opposite sequence in sensing-signal amplitude has indeed been obtained that verifies the proposed joint-sensing method. In addition, the two sensing signals both show a linear relationship with chemical concentration (at low-concentration range). Further comparison between the two sensing results can help to build a model to identify the molecule among a series of its homologous chemicals by eliminating the influence from concentration. Since a complementary relationship among homologous molecule structures widely exists, the dual-sensing method is promising in on-the-spot rapid molecular identification among homologous chemicals

Different ventilation control methods and their effects under a quanta generation rate of 2 quanta/h.

<p>Different ventilation control methods and their effects under a quanta generation rate of 2 quanta/h.</p