Selectivity Ratio Research Articles

Regenerative capacity of dental mesenchymal stem cells: a systematic review

Background: Oral mesenchymal cells already have wide clinical applications based on their tissue regenerative abilities. The purpose of this study is to present the picture of scientific research on the application of mesenchymal cells. Methods: This review study presents data processing of selected articles on clinical application of oral mesenchymal cells as a future of technology with relatively reduced cost. As inclusion criteria, there are articles that evaluated the regenerative abilities of cells prior to their oral origin. The exclusion criteria are mainly laboratory procedural techniques of manipulation with mesenchymal cells. From 735 articles screened for retrieval, 148 articles were found. After application of exclusion criteria, it was reached in total, about 38 selected articles were analyzed based on combinations of keywords on the PubMed page. These articles were classified based on concrete positive results and evasive results of studies on the role, mechanism of action, and field of application of oral mesenchymal cells. Results: The selection ratio of mesenchymal cells of pulpal origin or of periodontium origin is based on the first type of cells. Regardless of the fact that the trend of their application is again in the oral cavity, in a smaller percentage they tend to be applied for tissue regeneration in other organs. Discussion: There is a lack of “in vivo” type studies. The trend of articles is about review-type studies on the field of application of oral mesenchymal cells. Articles, where the field of application of mesenchymal cells is beyond the oral cavity for the purpose of application in regenerative medicine, occupy a reduced percentage. There are significant differences between differentiating abilities depending on the source from which these cells are taken from the oral cavity. This ability can be modeled by using growth factors, cytokines, bioactive substances, or local anesthetics.

Excellent Wavelength Selectivity of p-AlGaN/n-Ga2O3 Solar-Blind UVC PD.

Due to the advantages of ultrawide bandgap, chemical stability, self-powered, and low cost, gallium oxide (Ga2O3) based photodetectors (PDs) are considered as one of the most promising solar-blind ultraviolet PDs, having garnered significant attention in fields such as missile warning and flame arc detection. High selective ratios and excellent responsivity are important to reduce the false alarm rate in solar-blind detection. However, due to the lack of p-type Ga2O3, existing Ga2O3-based PN PDs utilized heterostructures with narrower bandgap p-type semiconductors (e.g., p-GaN, p-SiC, etc.), inducing poor selective ratios with visible light and ultraviolet-A/B (UVA/B). Therefore, a high Al content AlGaN was used in this study to form a p-AlGaN/n-Ga2O3 solar-blind ultraviolet-C (UVC) PD. Since the bandgap of p-AlGaN aligned with the UVC region, the device exhibited exceptionally high selective ratios with R247nm/R360nm = 3.71 × 105 and R247nm/R300nm = 1.47 × 105 at 0 V, which surpassed the reported Ga2O3-based PN PDs. The formation of the type-II heterojunction facilitated the effective separation and transport of photogenerated carriers, resulting in high responsivity (0.36 A/W) under zero bias. Overall, the high selective ratios and high responsivity of the p-AlGaN/n-Ga2O3 PD in this paper provided a reliable pathway for self-powered solar-blind PDs with a low false alarm rate.

Covalent Organic Framework Packed Nanoporous Membrane for Continuous Removal of Bisphenol A from Agricultural Irrigation Wastewater.

BPA, a typical endocrine disruptor, poses a significant threat to the growth of crops and thereby jeopardizes sustainable agriculture products and human health. In this work, a water-stabilized imine covalent organic framework (TpBD-COF) packed nanochannel membrane was constructed. The TpBD-COF membrane achieves high selective removal of BPA attributed to the subdivision of the pores by the filled COF, which further reduces the porous size and effectively eliminates the distance barrier between the selective sites of TpBD-COF membranes and BPA. The selective removal ratio of BPA was 5.79 times higher than that of the bare membrane, while the removal capacity reached 6.78 nM cm-2 min-1. It can eliminate BPA from irrigation wastewater and ensure crop growth. The application of COF-filled nanoporous membrane provides not only a size-matching strategy for the development of specific continuous removal of BPA but also a theoretical reference for membrane removal of other organic pollutants in agricultural irrigation water environment.

Effects of the Solid Concentration of Ceria Slurry on the Removal Rate and Selectivity of Si Wafer during Chemical Mechanical Polishing

Shallow trench isolation via chemical mechanical polishing (CMP-STI) tests of Si wafers using CeO2 slurry were studied. The impact of CeO2 slurry's solid concentration on the SiO2 removal rate and the selectivity ratio The effects of the solid concentration of CeO2 slurry on the removal rate of SiO2 and selectivity (SiO2/Si3N4) were investigated. The CeO2 abrasive was well matched to the XRD standard pattern, confirming that it had a cubic phase and the absence of any impurities. The SEM image showed that CeO2 primary particles had a spherical-like shape with a size within 30-60 nm. Additionally, the prepared CeO2 slurry showed a relatively high dispersion level. The wettability degree of the CeO2 slurry on top of the Si wafer surface was also sufficient. Furthermore, results from polishing tests indicated that both the SiO2 removal rate and the selectivity increased linearly with a rise in CeO2 solid concentration.

Nickel-Doped Facet-Selective Copper Nanowires for Activating CO-to-Ethanol Electrosynthesis.

Ethanol isa promising energy vector for closing the anthropogenic carbon cycle through reversible electrochemical redox. Currently, ethanol electrosynthesissuffers from low product selectivity due to the competitive advantage of ethylene in CO2/CO electroreduction. Here, a facet-selective metal-doping strategy is reported, tuning the reaction kinetics of CO reduction paths and thus enhancing the ethanol selectivity. The theoretical calculations reveal that nickel (Ni)doped Cu(100) surface facilitates water dissociation to form adsorbed hydrogen, which promotesselective electrochemical hydrogenation of a key C2 intermediate (*CHCOH) toward ethanol path over ethylene path. Experimentally, a solution-phase synthesis of a Ni-doped {100}-dominated Copper nanowires (Cu NWs) catalyst is reported, enabling an ethanol Faradaic efficiency of 56% and a selectivity ratio of ethanol to ethylene of 2.7, which are ≈4 and 15 times larger than those of undoped Cu NWs, respectively. The operando spectroscopic characterizationsconfirm that Ni-doping in Cu NWs can alter the interfacial water activity and thus regulate the C2 product selectivity. With further electrode engineering, a membrane electrode assembly electrolyzer using Ni-doped Cu NWs catalysts demonstrates an ethanol Faradaic efficiency over 50% at 300mA cm-2 with a full cell voltage of ≈2.7V and operates stably for over 300 h.

Sub-nanoporous polyimide membrane with selective and fast K+ transport

Biological ion channels have excellent monovalent ion separation performance, and it is of great significance to develop artificial membrane materials with monovalent ion selectivity based on their mechanism. The latent-track method is a new technology to prepare sub-nanometer channels on polymer membranes by swift heavy ion irradiation. This method has been widely applied in the study of mono/divalent ion separation membranes, but its application in monovalent ion separation membranes still needs to be explored. In this work, polyimide (PI) film was irradiated by swift heavy ion, then water rinsed, and the sub-nanoporous PI membrane with effective channel size in the range of 0.30 and 0.66 nm was fabricated, then its electrical and transport properties were studied. Due to the smaller hydrated diameter and lower hydration energy of K+, the membrane exhibited good selectivity for K+. The selectivity ratio of K+/Li+ is 3.4–3.9, and the maximum K+ flux can reach 0.44 mol m−2 h−1 at 55℃. The sub-nanoporous PI membranes are expected to be applied in salt lake lithium extraction, fine processing of potassium and lithium, and other relevant scenarios.

Machine Learnable Language for the Chemical Space of Nanopores Enables Structure-Property Relationships in Nanoporous 2D Materials.

The synthesis of nanoporous two-dimensional (2D) materials has revolutionized fields such as membrane separations, DNA sequencing, and osmotic power harvesting. Nanopores in 2D materials significantly modulate their optoelectronic, magnetic, and barrier properties. However, the large number of possible nanopore isomers makes their study onerous, while the lack of machine-learnable representations stymies progress toward structure-property relationships. Here, we develop a language for nanopores in 2D materials, called STring Representation Of Nanopore Geometry (STRONG), that opens the field of 2D nanopore informatics. We show that STRONGs are naturally suited for machine learning via recurrent neural networks, predicting formation energies/times of arbitrary nanopores and transport barriers for CO2, N2, and O2 gas molecules, enabling structure-property relationships. The machine learning models enable the discovery of specific nanopore topologies to separate CO2/N2, O2/CO2, and O2/N2 gas mixtures with high selectivity ratios. We also enable the rapid enumeration of unique configurations of stable, functionalized nanopores in 2D materials via STRONGs, allowing systematic searching of the vast chemical space of nanopores. Using the STRONGs approach, we find that a mix of hydrogen and quinone functionalization results in the most stable functionalized nanopore configuration in graphene, a discovery made feasible by expedited chemical space exploration. Additionally, we also unravel the STRONGs approach as ∼1000 times faster than graph theory algorithms to distinguish nanopore shapes. These advances in the language-based representation of 2D nanopores will accelerate the tailored design of nanoporous materials.

A novel miniaturized microstrip filtering power divider with high selectivity based on composite right/left-handed (CRLH) concept

Abstract This paper proposes a compact microstrip filtering power divider (FPD) with high selectivity and equal power division ratios based on the composite right/left-handed (CRLH) concept. The proposed equal microstrip FPD is designed by cascading two CRLH unit cells and a grounded via hole. The proposed CRLH unit cell is realized by an interdigital capacitor loaded between two transmission lines (TL) on the upper metal layer and the fractal/meander complementary split-ring resonator (FMCSRR) on the ground plane. The grounded via hole has been used to improve frequency selectivity and out-of-band rejection of the proposed microstrip FPD. The equivalent circuit model compared with full-wave simulation results of the proposed microstrip FPD has been provided. The proposed microstrip FPD has been fabricated and measured, and a good agreement has been found between the simulation and measurement results. The proposed microstrip FPD has a passband covering 2.38–2.45 GHz, and its measured 3 dB fractional bandwidth is about 2.9 %. The total size of the proposed microstrip FPD is 0.17 λ g × 0.07 λ g. Compared with other reported FPDs, the presented microstrip FPD has many advantages like compact size, low loss, easy fabrication, extremely sharp rejection skirts around the desired passband and high selectivity.

Ultra-high PDCR(>109) of vacuum-UV photodetector based on Al-doped Ga2O3 microbelts

Al-doped Ga2O3microbelts with widths ranging from 20 to 154μm and lengths up to 2 mm were grown using carbothermal reduction. Based on these ultra-wide microbelts, single-microbelt (37μm wide) and double-microbelts(38μm/42μm wide) metal-semiconductor-metal photoconductive ultraviolet (UV) detectors PDs were fabricated and their optoelectronic performances were investigated at Vacuum-UV (VUV) wavelengths of 185 nm. Under irradiation of 185 nm, the Al-doped Ga2O3PD has a very-high photocurrent (Iph) of 192.07μA and extremely low dark current (Id) of 156 fA at 10 V, and presents a ultra-high light-to-dark current ratio of 1.23 × 109. The responsivity (R), external quantum efficiency (EQE), and detectivity (D*) of the double-microbelts detector device were 1920 A W-1, 9.36 × 105%, and 8.6 × 1016Jones, respectively. Since the bandgap of the Al-doped microbelts becomes wider, and the fabricated detector has weaker sensitivity to radiation in the 254/365 nm wavelengths. Compared with the 254 nm and 365 nm UV cases, the devices under 185 nm VUV show the excellent high selectivity ratios of 1.47 × 106and 1.7× 107, respectively. This paper should provide a new insight on the VUV photodetectors utilizing Ga2O3microbelts.

Post-synthetic modification of a MOF via Continuous Flow Methods for Gold E-Waste Recycling.

This study pioneers the use of continuous flow methods to modify the nanoporous metal-organic framework Fe-BTC (MIL-100(Fe)) with redox-active poly-p-phenylenediamine (PpPDA). The Fe-BTC/PpPDA composite, known for its gold extraction capabilities, was synthesized in continuous flow on a 250 g scale. Fe-BTC/PpPDA was then tested in eight industrial leachates (e.g., cyanide, thiourea, aqua regia) exhibiting varying effectiveness, pH, and gold speciation, which led to significant differences in the composite's performance for gold extraction. The composite performed best in solutions containing [AuCl4]- species. Structured into spherical beads using a novel continuous flow microdroplet technique, these adsorbents were tested for gold recovery from real e-waste solutions in a breakthrough epemriment. They achieved a capacity of ~600 mg of gold per gram before breakthrough and ~900 mg per gram at a 60% recovery rate. Selectivity ratios for Au/Ni, Au/Co, and Au/Fe were 972, 262, and 193, respectively. In situ X-ray absorption near edge spectroscopy (XANES) provided evidence of the reduction of Au³⁺ to Au⁰, facilitated by the redox-active oligomers. Outperforming several commercial resins, Fe-BTC/PpPDA shows great promise for scalable, selective metal recovery from waste streams. This study highlights the potential of MOF/polymer composites and continuous flow methods for large-scale production.

Comparative selective pressure analysis on mitochondrial protein-coding genes in flying squirrels (Pteromyini) and tree squirrels (Sciurini)

Different animal groups with varying locomotion modes may have unique energy requirements. Mitochondria produce adenosine triphosphate (ATP) and reactive oxygen species via oxidative phosphorylation to support organisms energy requirements. The tribes Pteromyini (flying squirrels) and Sciurini (tree squirrels), two closely related taxa within the family Sciuridae, exhibit distinct locomotion modes, energy requirements, and likely face different selective pressures on mitochondrial protein-coding genes (PCGs). We analysed 13 mitochondrial genome sequences from species belonging to the tribe Pteromyini and 117 from species belonging to the tribe Sciurini. Phylogenetic analysis revealed Pteromyini and Sciurini formed a sister relationship within the family Sciuridae. Among the 13 PCGs, ATP8 exhibited the highest dN/dS values, while COX1 showed the lowest. The background selection ratio (ω2) values for six genes (ND1, ND2, ND4, ATP6, ND5, and COX3) in Pteromyini were lower than the foreground selection ratio (ω0) values observed in Sciurini. A RELAX analysis revealed that CYTB, ND4, ATP6, and COX3 genes experienced intensified in selection strength. BUSTED analysis identified stronger signatures of diversifying selection in CYTB and ATP6, highlighting amino acid changes. MEME identified episodic diversifying selection at specific sites among eight PCGs. These findings revealed distinct selective pressures on PCGs in flying and tree squirrels.

Scoring the Big Five for longitudinally assessed academic achievement predictiveness: Manifest, correlated‐factors model, and bifactor modeling across multiple contexts

AbstractBased on a large (N = 612) longitudinal sample in a teacher education program, we compared how three methods of personality scoring—manifest mean scores, correlated‐factors model scores, and bifactor model scores—predict academic achievement assessed by grade point averages. Furthermore, we compared predictiveness across honest responses, applicants' responses and responses collected under laboratory faking‐good instructions. To this end, a real‐life selection setting was part of our study (i.e., applicants to initial teacher education selected, among other things on their personality). We found the expected pattern of manifest mean scores (honest responses were the lowest, applicants' responses higher and faking‐good responses highest) and could demonstrate that applicant faking does not reduce personality assessment's predictiveness. Overall, correlated‐factors model scoring increased the predictiveness of honest and applicants' responses, and scoring via bifactor model even more so. No method of scoring could retrieve the predictiveness in the faking‐good response condition. Regarding the practical application within selection processes, bifactor model scores only slightly outperformed mean scores, and this only occurred in the case of small selection ratios. Nevertheless, we showed that there is criterion‐related and systematic variance within applicants' personality scores above and beyond their personality traits that can be extracted when modeled with bifactor models.

Omega‐3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile

ABSTRACTThis work investigates the impact of marine omega‐3 and physical activity and their interaction on cardiometabolic health as expressed by the serum lipoprotein profile. Using an experimental design that allows for the possibility of interaction, we performed a 6‐week intervention on 44 middle‐aged women living in Western Norway. The women were randomly divided into four groups: one control group with no intervention, a second group performing sessions of moderate intensity three times per week, a third group taking daily supplements of omega‐3 marine fatty acids, and a fourth group combining the interventions for Groups 2 and 3. The difference in the lipoprotein profiles after the intervention from baseline were assessed for statistical significance by comparing groups 2, 3 and 4 with Group 1 using two‐tailed t‐test corrected for multiple testing and selectivity ratios calculated from the discriminatory component in validated partial least squares discriminant models. The results from the univariate and multivariate analyses were qualitatively equivalent: Only the women combining moderate physical activity and omega‐3 supplementation, revealed statistically significant differences in their lipoprotein profile compared to the nonintervention control group. The pattern of change in the lipoprotein profile is associated with improved cardiometabolic health. Use of the design matrix to predict this pattern revealed that the interaction between omega‐3 supplementation and physical activity played a major role in inducing this change. The recognition of the influence of this interaction may be a step towards resolving the long‐lasting debate of the role played by omega‐3 for preventing cardiovascular unhealth.

Hybrid Analogues of Hydrazone and Phthalimide: Design, Synthesis, In vivo, In vitro, and In silico Evaluation as Analgesic Agents.

Based on the anti-inflammatory and analgesic activity of hydrazone and phthalimide, a new series of hybrid hydrazone and phthalimide pharmacophores was prepared and evaluated as analgesic agents. The designed ligands were synthesized by reaction of the appropriate aldehydes and 2- aminophthalimide. Analgesic, cyclooxygenase inhibitory, and cytostatic activity of prepared compounds were measured. All the tested ligands demonstrated significant analgesic activity. Moreover, compounds 3i and 3h were the most potent ligands in the formalin and writhing tests, respectively. Compounds 3g, 3j, and 3l were the most COX-2 selective ligands and ligand 3e was the most potent COX inhibitor with a 0.79 of COX-2 selectivity ratio. The presence of electron-withdrawing moieties with hydrogen bonding ability at the meta position was found to affect the selectivity efficiently, in which compounds 3g, 3l, and 3k showed high COX-2 selectivity, and compound 3k was the most potent one. The cytostatic activity of selected ligands demonstrated that compounds 3e, 3f, 3h, 3k, and 3m showed good analgesic and COX inhibitory activity and were less toxic than the reference drug. High therapeutic index of these ligands is one of the valuable advantages of these compounds.

Rationale design and synthesis of new roflumilast analogues as preferential selective and potent PDE-4B inhibitors

In this study, we designed and synthesized novel analogues of roflumilast that exhibit selective inhibition of PDE-4B. To accomplish this target; synthesis of novel series (4a-u, 5a-i, and 6) was done, aiming at obtaining new PDE-4B inhibitors hits based on the proposed pharmacophore, 1-(cyclopropylmethoxy)-2-(difluoromethoxy) benzene moiety. Enzyme assay was used to measure the IC50 values for the PDE-4B inhibition of all the synthesized compounds along with roflumilast as a reference drug. The results demonstrated that most of the examined candidates exhibited considerable inhibitory activity against the PDE-4B enzyme. The four compounds (4i, 4k, 4p, and 4q) exhibited the highest potency (IC50 = 7.25, 7.15, 5.50, 7.19 nM, respectively) with no significant inhibition difference from roflumilast (no statistical difference at p < 0.05). Interestingly, compound 4p with 3-OH and 4-OCH3 substituents was found to be the most potent against PDE-4B enzyme (IC50 = 5.50 nM), compared to that of roflumilast (IC50 = 2.36 nM). Moreover, the most potent derivatives 4i, 4k, 4p, and 4q were further tested for PDE-4D inhibitory activity to investigate their PDE-4D/PDE-4B selectivity ratio. Compound 4k showed the highest selectivity towards PDE-4B isozyme more than the reference drug roflumilast (PDE-4D/4B IC50 ratio for compound 4k and roflumilast = 3.22 and 3.02, respectively). Additionally, compound 4p was chosen to test its selectivity for PDE-4B over PDE-8A, PDE-11A, and PDE-1B compared to thereference drug roflumilast. Compound 4p showed approximately 6-fold selectivity for PDE-4B over PDE-8A, about 5-fold selectivity for PDE-4B over PDE-11A, and 11-fold selectivity of PDE-4B over PDE-1B. Compound 4p showed a higher selectivity towards PDE-4B than PDE-1B, more than the reference compound roflumilast. Furthermore, the most potent compounds (4i, 4k, 4p, 4q) were subjected to further investigation, and their effects on the cAMP level and percentage of inhibition of tumor necrosis factor-alpha (TNF-α) were studied and compared with reference drug roflumilast. Compound 4q showed the highest increase in the level of intracellular cAMP (6.55 ± 0.37 pmol/mL) and compound 4i showed the highest % of TNF-α inhibition (77.22 %). On the other side, a molecular docking study against PDE-4B clarified that all the examined candidates achieved nearly similar binding modes with similar orientations to that of the native roflumilast ligand and showed higher docking scores than roflumilast.

Spirodiclofen toxicity in Tetranychus urticae and safety to natural enemies Proprioseiopsis asetus and Amblyseius swirskii

Proprioseiopsis asetus and Amblyseius swirskii are excellent natural enemies of plant-feeding mites and small pests. In order to clarify the safety of the acaricide spirodiclofen to the predatory mites P. asetus and A. swirskii, here, we investigated the toxicity of the acaricide on the pest mite T. urticae (nymphs and adult females) and on both species of predatory mites, P. asetus and A. swiskii (eggs, nymphs, and female adults) by using the spray, slide-dip, and leaf residual toxicity methods, compared the selective toxicity and assessed the safety to these natural enemies. The results demonstrated that the corrected mortality in P. asetus and A. swirskii female adults was &lt;5% at recommended spirodiclofen concentrations in the spray method. In the leaf residual toxicity method, P. asetus and A. swirskii egg-hatching rates did not differ significantly from the pure water control group. In the slide-dip method, spirodiclofen lethal concentration 50 (LC50) in P. asetus and A. swirskii female adults was noted to be 9,494.875 and 3,064.187 mg·L−1, respectively. In the spray method, spirodiclofen LC50 in P. asetus and A. swirskii nymphs was found to be 4,292.664 and 1,081.609 mg·L−1, respectively, and that in T. urticae female adults and nymphs was 55.189 and 40.862 mg·L−1, respectively. Spiroclofen selective toxicity ratios (STRs) in P. asetus female adults–T. urticae and P. asetus nymphs–T. urticae were 172.013 and 105.053, respectively, indicating that spiroclofen has a high positive selectivity toward the pest T. urticae and its natural enemy P. asetus. In contrast, spiroclofen STRs in A. swirskiis female adults–T. urticae and A. swirskiis nymphs–T. urticae were 55.522 and 26.470, respectively, indicating spiroclofen has a moderate positive selectivity toward the pest T. urticae and its natural enemy A. swirskii. In the safety evaluation, the spirodiclofen safety factor for P. asetus female adults and nymphs was 158.248–237.37 and 71.544–107.317, respectively, whereas that for A. swirskii female adults and nymphs was 50.070–76.605 and 18.027–27.040 respectively. All spirodiclofen safety factor values were much higher than 5, indicating that spirodiclofen is highly safe for P. asetus and A. swirskii; in particular, spirodiclofen is safer for P. asetus than for A. swirskii.

Covalent Organic Framework Membranes with Regulated Orientation for Monovalent Cation Sieving.

Continuous covalent organic framework (COF) thin membranes have garnered broad concern over the past few years due to their merits of low energy requirements, operational simplicity, ecofriendliness, and high separation efficiency in the application process. This study marks the first instance of fabricating two distinct, self-supporting COF membranes from identical building blocks through solvent modulation. Notably, the precision of the COF membrane's separation capabilities is substantially enhanced by altering the pore alignment from a random to a vertical orientation. Within these confined channels, the membrane with vertically aligned pores and micron-scale stacking thickness demonstrates rapid and selective transportation of Li+ ions over Na+ and K+ ions, achieving Li+/K+ and Li+/Na+ selectivity ratios of 38.7 and 7.2, respectively. This research not only reveals regulated orientation and layer stacking in COF membranes via strategic solvent selection but also offers a potent approach for developing membranes specialized in Li+ ion separation.

Hydrophobic surface modification and morphology tuning of supported KNiMoS-based catalyst for synergistically enhanced higher alcohols synthesis via CO hydrogenation

MoS2-based catalysts have gained significant attention in higher alcohols synthesis (HAS) via CO hydrogenation. However, the water–gas shift (WGS) to produce CO2 in HAS is undesirable reaction, which will reduce the efficiency of carbon utilization. Here, we provide a facile strategy with hydrophobic surface modification and metal-support interaction modulation to design a series of KNiMoS/MgAl catalysts. The organic modified SiO2 shell with excellent hydrophobicity effectively shortens the residence of water formed in HAS, and further suppress the generation of CO2 and low-chain hydrocarbons. Moreover, the moderate metal-support interaction between MoS2-based active species and MgAl support can regulate the dispersion and sulfidation extent of MoS2 slabs to provide more active sites for alcohol formation. The MoS2 slabs with predominant double-layer structure enhance the C–C propagation and CO insertion in HAS. And as a result, the optimal KNiMoS/MgAl@Si(c)-5 achieves total alcohols selectivity of 74.7 %, C2+OH selectivity of 85.8 % in total alcohols, and C2+ alcohols space–time yield of 107.8 mg gcat-1h−1, where C2+ alcohols space–time yield is 3.50 and 2.71 times than those on KNiMoS/MgAl(H) and KNiMoS/MgAl, respectively. Notably, the total selectivity of CO2 and hydrocarbons is less than 23.2 %, and selectivity ratio of C2-4OH to methanol can be overturned from 1.9 to 6.0. The dependence of HAS performance on the morphology of MoS2 slabs were also demonstrated to get insight into the structure-performance relationship. This work provides a facile strategy with tunable hydrophobic surface and metal-support interaction of MoS2-based catalysts for further improvement of catalytic performance.

Shotgun DNA sequencing for human identification: Dynamic SNP selection and likelihood ratio calculations accounting for errors

Shotgun sequencing is a DNA analysis method that potentially determines the nucleotide sequence of every DNA fragment in a sample, unlike PCR-based genotyping methods that is widely used in forensic genetics and targets predefined short tandem repeats (STRs) or predefined single nucleotide polymorphisms (SNPs). Shotgun DNA sequencing is particularly useful for highly degraded low-quality DNA samples, such as ancient samples or those from crime scenes. Here, we developed a statistical model for human identification using shotgun sequencing data and developed formulas for calculating the evidential weight as a likelihood ratio (LR). The model uses a dynamic set of binary SNP loci and takes the error rate from shotgun sequencing into consideration in a probabilistic manner. To our knowledge, the method is the first to make this possible. Results from replicated shotgun sequencing of buccal swabs (high-quality samples) and hair samples (low-quality samples) were arranged in a genotype-call confusion matrix to estimate the calling error probability by maximum likelihood and Bayesian inference. Different genotype quality filters may be applied to account for genotyping errors. An error probability of zero resulted in the commonly used LR formula for the weight of evidence. Error probabilities above zero reduced the LR contribution of matching genotypes and increased the LR in the case of a mismatch between the genotypes of the trace and the person of interest. In the latter scenario, the LR increased from zero (occurring when the error probability was zero) to low positive values, which allow for the possibility that the mismatch may be due to genotyping errors. We developed an open-source R package, wgsLR, which implements the method, including estimation of the calling error probability and calculation of LR values. The R package includes all formulas used in this paper and the functionalities to generate the formulas.

Extraction of Pyrrole from Its Mixture with n-Hexadecane Using Protic Ionic Liquids.

The removal of nitrogen compounds from fuel via the conventional method, which is hydrodenitrogenation, is costly and involves catalysts and energy-intensive conditions (600 K and 300 atm). Recently, ionic liquids (ILs) have emerged as a promising alternative solvent for the denitrogenation of fuel oil. However, certain ILs are expensive and challenging to synthesize, prompting the exploration of protic ionic liquid (PIL) substitutes, which offer similar advantages to ILs. This study utilized the conductor-like screening model for real solvents (COSMO-RS) to predict the phase equilibria for three PILs-triethylammonium p-toluenesulfonate (TEA-TSA), triethylammonium salicylate (TEA-SA) and triethylammonium benzoate (TEA-BZ)-which were subsequently validated through experimental investigations. Liquid-liquid extraction experiments were conducted at 298 K and 1 atm, with pyrrole (serving as the model nitrogen compound) concentrations in n-hexadecane (representing the model fuel) ranging from 10 to 50 wt%. Additionally, the NRTL model effectively correlated the experimental tie lines. The obtained data indicated that TEA-TSA exhibited superior selectivity and distribution ratio compared to TEA-SA and TEA-BZ. All the ternary systems tested displayed positive slopes, suggesting a higher affinity of nitrogen compounds for the PIL. Supporting this observation, interaction energy (ΔE) and excess enthalpy (HE) were employed. The predicted outcomes revealed that TEA-TSA had high ΔE, and all PILs exhibited negative values of HE. The HE calculation underscored the significance of strong hydrogen bond interactions between pyrrole and the PIL for successful extraction.