Genetic correlation and Mendelian randomization analyses support causal relationships between dietary habits and age at menarche.

Dietary habits are essential in the mean age at menarche (AAM). However, the causal relationship between these factors remains unclear. Therefore, this study aimed to elucidate the genetic relationship between dietary habits and AAM. Genetic summary statistics for dietary habits were obtained from the UK Biobank. GWAS summary data for AAM was obtained from the ReproGen Consortium. Linkage disequilibrium score regression was used to test genetic correlations between dietary habits and AAM. The Mendelian randomization (MR) analyses used the inverse-variance weighted method. Genetic correlations with AAM were identified for 29 candi-date dietary habits, such as milk type (skimmed, semi-skimmed, full cream; coefficient = 0.2704, Pldsc = 1.13 × 10-14). MR evaluations revealed that 19 dietary habits were associated with AAM, including bread type (white vs. any other; OR 1.71, 95% CI 1.28-2.29, Pmr = 3.20 × 10-4), tablespoons of cooked vegetables (OR 0.437, 95% CI 0.29-0.67; Pmr = 1.30 × 10-4), and cups of coffee per day (OR 0.72, 95% CI 0.57-0.92, Pmr = 8.31 × 10-3). These results were observed to be stable under the sensitivity analysis. Our study provides potential insights into the genetic mechanisms underlying AAM and evidence that dietary habits are associated with AAM.

Topological Electronic Transition Contributing to Improved Thermoelectric Performance in p-Type Mg3Sb2- xBix Solid Solutions.

Topological electronic transition is the very promising strategy for achieving high band degeneracy (NV) and for optimizing thermoelectric performance. Herein, this work verifies in p-type Mg3Sb2- xBix that topological electronic transition could be the key mechanism responsible for elevating the NV of valence band edge from 1 to 6, leading to much improved thermoelectric performance. Through comprehensive spectroscopy characterizations and theoretical calculations of electronic structures, the topological electronic transition from trivial semiconductor is unambiguously demonstrated to topological semimetal of Mg3Sb2- xBix with increasing the Bi content, due to the strong spin-orbit coupling of Bi and the band inversion. The distinct evolution of Fermi surface configuration and the multivalley valence band edge with NV of 6 are discovered in the Bi-rich compositions, while a peculiar two-step band inversion is revealed for the first time in the end compound Mg3Bi2. As a result, the optimal p-type Mg3Sb0.5Bi1.5 simultaneously obtains a positive bandgap and high NV of 6, and thus acquires the largest thermoelectric power factor of 3.54 and 6.93 µW cm-1 K-2 at 300 and 575 K, respectively, outperforming the values in other compositions. This work provides important guidance on improving thermoelectric performance of p-type Mg3Sb2- xBix utilizing the topological electronic transition.

Apicomplexa micropore: history, function, and formation.

The micropore, a mysterious structure found in apicomplexan species, was recently shown to be essential for nutrient acquisition in Plasmodium falciparum and Toxoplasma gondii. However, the differences between the micropores of these two parasites questions the nature of a general apicomplexan micropore structure and whether the formation process model from Plasmodium can be applied to other apicomplexans. We analyzed the literature on different apicomplexan micropores and found that T. gondii probably harbors a more representative micropore type than the more widely studied ones in Plasmodium. Using recent knowledge of the Kelch 13 (K13) protein interactome and gene depletion phenotypes in the T. gondii micropore, we propose a model of micropore formation, thus enriching our wider understanding of micropore protein function.

[Contamination Characteristics and Ecological Risk of Antibiotics in Contaminated Sites of Typical Pharmaceutical Factories in China].

To understand the contamination characteristics and ecological risk of antibiotics in contaminated fields of pharmaceutical plants， samples of the surface soil， soil column， wastewater treatment process water， ground water， and residue dregs were collected from two typical antibiotic pharmaceutical plants in South and North China. A total of 87 commonly used antibiotics were quantified using ultrasound extraction-solid phase extraction and ultra-high performance liquid chromatography-mass spectrometry. The results showed that a total of 31 antibiotics of five classes were detected in all types of samples， and the maximum concentrations at each sampling point in the surface soil， soil column， residue dregs， wastewater treatment process water， and groundwater were 420 ng·g-1， 595 ng·g-1， 139 ng·g-1， 1 151 ng·L-1， and 6.65 ng·L-1， respectively. Most of the antibiotics were found in the surface soil， showing a decreasing trend with the depth of the soil column. The ecological risk assessment indicated that sulfamethazine， sulfaquinoxaline， tetracycline， chlorotetracycline， and D-sorbitol were at higher risk. Improving the efficiency of antibiotic removal from pharmaceutical wastewater and preventing production shop leaks are effective measures of controlling antibiotic contamination into and around fields in pharmaceutical plants.

Polymer-Unit Graph: Advancing Interpretability in Graph Neural Network Machine Learning for Organic Polymer Semiconductor Materials.

The graph representation of complex materials plays a crucial role in the field of inorganic and organic materials investigations for developing data-centric materials science, such as those using graph neural networks (GNNs). However, the currently prevalent GNN models are primarily employed for investigating periodic crystals and organic small molecule data, yet they still encounter challenges in terms of interpretability and computational efficiency when applied to polymer monomers and organic macromolecules data. There is still a lack of graph representation of organic polymers and macromolecules specifically tailored for GNN models to explore the structural characteristics. The Polymer-unit Graph, a novel coarse-grained graph representation method introduced in study, is dedicated to expressing and analyzing polymers and macromolecules. By incorporating the Polymer-unit Graph into the GNN models and analyzing the organic semiconductor (OSC) materials database, it becomes possible to uncover intricate structure-property relationships involving branched-chain engineering, fluoridation substitution, and donor-acceptor combination effects on the elementary structure of OSC polymers. Furthermore, the Polymer-unit Graph enables visualizing the relationship between target properties and polymer units while reducing training time by an impressive 98% and minimizing molecular graph representation models. In conclusion, the Polymer-unit Graph successfully integrates the concept of Polymer-unit into the field of GNNs, enabling more accurate analysis and understanding of organic polymers and macromolecules.

Manipulating Hetero-Nanowire Films for Flexible and Multifunctional Thermoelectric Devices.

Flexible thermoelectric devices hold significant promise in wearable electronics owing to their capacity for green energy generation, temperature sensing, and comfortable wear. However, the simultaneous achievement of excellent multifunctional sensing and power generation poses a challenge in these devices. Here, ordered tellurium-based hetero-nanowire films are designed for flexible and multifunctional thermoelectric devices by optimizing the Seebeck coefficient and power factor. The obtained devices can efficiently detect both object and environment temperature, thermal conductivity, heat proximity, and airflow. In addition, combining the thermoelectric units with radiative cooling materials exhibits remarkable thermal management capabilities, preventing device overheating and avoiding degradation in power generation. Impressively, this multifunctional electronics exhibits excellent resistance in extreme low earth orbit environments. The fabrication of such thermoelectric devices provides innovative insights into multimodal sensing and energy harvesting.

The Toxoplasma monocarboxylate transporters are involved in the metabolism within the apicoplast and are linked to parasite survival.

The apicoplast is a four-membrane plastid found in the apicomplexans, which harbors biosynthesis and organelle housekeeping activities in the matrix. However, the mechanism driving the flux of metabolites, in and out, remains unknown. Here, we used TurboID and genome engineering to identify apicoplast transporters in Toxoplasma gondii. Among the many novel transporters, we show that one pair of apicomplexan monocarboxylate transporters (AMTs) appears to have evolved from a putative host cell that engulfed a red alga. Protein depletion showed that AMT1 and AMT2 are critical for parasite growth. Metabolite analyses supported the notion that AMT1 and AMT2 are associated with biosynthesis of isoprenoids and fatty acids. However, stronger phenotypic defects were observed for AMT2, including in the inability to establish T. gondii parasite virulence in mice. This study clarifies, significantly, the mystery of apicoplast transporter composition and reveals the importance of the pair of AMTs in maintaining the apicoplast activity in apicomplexans.

High-Throughput Strategies in the Discovery of Thermoelectric Materials.

Searching for new high-performance thermoelectric (TE) materials that are economical and environmentally friendly is an urgent task for TE society, but the advancements are greatly limited by the time-consuming and high cost of the traditional trial-and-error method. The significant progress achieved in the computing hardware, efficient computing methods, advance artificial intelligence algorithms, and rapidly growing material data have brought a paradigm shift in the investigation of TE materials. Many electrical and thermal performance descriptors are proposed and efficient high-throughput (HTP) calculation methods are developed with the purpose to quickly screen new potential TE materials from the material databases. Some HTP experiment methods are also developed which can increase the density of information obtained in a single experiment with less time and lower cost. In addition, machine learning (ML) methods are also introduced in thermoelectrics. In this review, the HTP strategies in the discovery of TE materials are systematically summarized. The applications of performance descriptor, HTP calculation, HTP experiment, and ML in the discovery of new TE materials are reviewed. In addition, the challenges and possible directions in future research are also discussed.

Decreasing the Carrier Concentration of ZrNiSn: An Opposite Way to the Best N-Type Half-Heusler Thermoelectrics.

N-type ZrNiSn-based alloys reach a record thermoelectric figure of merit zT ≈1.2 by increasing the carrier concentration to 4-5 × 1020 cm-3 . In this work, It is reported that a comparable zT can also be realized in trace Ru-doped ZrNiSn-based alloy at even lower temperature by decreasing the carrier concentration. Compared to the previously reported Co doping, the doping of Ru results in a more effective reduction in carrier concentration, and thus higher Seebeck coefficient, lower electronic thermal conductivity, and enhanced thermoelectric performance. The electronic specific heat coefficient of the ZrNi1- x Rux Sn sample remains constant with increasing Ru content, indicating no obvious change in the density of states effective mass. Theoretical calculations show that the doping of Ru has negligible effect on the bottom of conduction band. The lattice thermal conductivity is further reduced by alloying Ti and Hf at the Zr site, and the bipolar diffusion is suppressed by doping of 0.5 at.% Sb. As a result, Ti0.25 Zr0.5 Hf0.25 Ni0.99 Ru0.01 Sn0.995 Sb0.005 reaches not only a zT value of 1.1 at 773 K but also a record average zT value of 0.8 in 300 to 873 K, demonstrating the effectiveness of trace Ru doping on boosting the thermoelectric performance of ZrNiSn-based alloys.

Interlayer Phonon Coupling from Heavy and Light Sublayers in a Natural Van der Waals Superlattice.

Layered compounds characterized by van der Waals gaps are often associated with relatively weak interlayer particle interactions. However, in specific scenarios, these seemingly feeble forces can exert an impact on interlayer interactions through subtle energy fluctuations, which can give rise to a diverse range of physical and chemical properties, particularly intriguing in the context of thermal transport. In this study, taking a natural superlattice composed of alternately stacked PbS and SnS2 sublayers as a model, we proposed that in a superlattice, there is strong hybridization between acoustic phonons of heavy sublayers and optical phonons of light sublayers. We identified newly generated vibration modes in the superlattice, such as interlayer shear and breathing, which exhibit lower sound velocity and contribute less to heat transport compared to their parent materials, which significantly alters the thermal behaviors of the superlattice compared to its bulk counterparts. Our findings on the behavior of interlayer phonons in superlattices not only can shed light on developing functional materials with enhanced thermal dissipation capabilities but also contribute to the broader field of condensed matter physics, offering insights into various fields, including thermoelectrics and phononic devices, and may pave the way for technological advancements in these areas.

IL-27 Alleviates Airway Inflammation and Airway Hyperresponsiveness in Asthmatic Mice by Targeting the CD39/ATP Axis of Dendritic Cells.

Interleukin-27 receptor (IL-27R) is expressed in a variety of immune cells and structural cells, including dendritic cells. The mechanism of IL-27 in asthma has not been fully elucidated. This study aimed to examine whether IL-27 regulated the CD39/ATP axis of dendritic cells in asthma. Our results showed that in ovalbumin (OVA)-induced asthma mouse model, IL-27Rα-/- asthmatic mice showed increased airway resistance, increased infiltration of inflammatory cells in lung tissue, proliferation of goblet cells, enhanced expression of Muc5 AC around airway epithelium, increased total number of cells and eosinophils, increased levels of total IgE, OVA-IgE, IL-4, IL-5, IL-13 and IL-17 A, and increased expression of transcription factors GATA-3 and RORγt in lung tissue. The expression of CD39 mRNA and protein in the lung tissue of IL-27Rα-/- asthmatic mice decreased, and the expression of NLRP3, ASC and Caspase-1 in NLRP3 inflammasome components increased. The concentration of ATP was significantly increased compared with WT asthmatic mice. In vitro experiments showed that the expression of CD39 in lung dendritic cells of IL-27Rα-/- asthmatic mice decreased, while the expression of NLRP3 inflammasome components NLRP3, ASC and Caspase-1 increased. These findings indicate that IL-27 directly and indirectly regulates immunoinflammatory responses in asthma by acting on dendritic cells CD39/ATP Axis.

Comprehensive discovery and migration evaluation of antimicrobial drugs and their transformation products in a swine farm by target, suspect, and nontarget screening.

Swine farms contaminated the surrounding environment through manure application and biogas slurry irrigation, hence causing the wide residual of multiple antimicrobial drugs (ADs) and their transformation products (TPs). This study performed target, suspect, and nontarget screening methods to comprehensively investigate the pollution profiles of ADs in a typical swine farm, and characterize the potential transformed pathway of TPs and distinguish specific reactions of different catalog of ADs. Samples of fresh feces, compost, biogas slurry, topsoil, column soil, groundwater and plants were analyzed using the database containing 98 target analytes, 679 suspected parent ADs, and âˆ¼ 107 TPs. In total, 29 ADs were quantitively detected, and tetracyclines (TCs) were mostly frequently detected ADs with the concentrations up to 4251 ng/g in topsoil. Soil column investigation revealed that doxycycline (DOX) and tetracycline (TC) in soil could migrate to depths of approximately 1 m in soil. Suspect screening identified 75 parent ADs, with 10 being reported for the first time in environmental media. Semi-quantification of ADs revealed that one of the less-concerned ADs, clinafloxacin, was detected to exceed 5000 ng/L in biogas slurry, suggesting that significant attentions should be paid to these less-concerned ADs. Moreover, 314 TPs was identified, and most of them were found to undergo microbial/enzymatic metabolism pathways. Overall, our study displays a comprehensive overview of ADs and their TPs in swine farming environments, and provides an inventory of crucial list that worthy of concern. The results emphasize the need to quantify the levels and distribution of previously overlooked ADs and their TPs in livestock farms.

Assembly of dysprosium(III) cubanes in a metal-organic framework with an ecu topology and slow magnetic relaxation.

A dysprosium(III) metal-organic framework constructed using dysprosium(III) cubanes as secondary building units has been reported to exhibit field-induced slow magnetic relaxation behavior and an unprecedented ecu topology, which is the first example of an 8-connected Ln-cubane-based framework material and a rare Dy4-MOF showing slow magnetic relaxation.

Cyanide-Bridged Rope-like Chains Based on Trigonal-Bipyramidal [Fe2Cu3] Subunits.

Extending a selected cyanometalate block into a higher dimensional framework continues to present intriguing challenges in the fields of chemistry and material science. Here, we prepared two rope-like chain compounds of {[(Tp*Me)Fe(CN)3]2Cu2X2(L)}·sol (1, X = Cl, L = (MeCN)0.5(H2O/MeOH)0.5, sol = 2MeCN·1.5H2O; 2, X = Br, L = MeOH, sol = 2MeCN·0.75H2O; Tp*Me = tris(3, 4, 5-trimethylpyrazole)borate) in which the cyanide-bridged trigonal-bipyramidal [Fe2Cu3] subunits were linked with the adjacent ones via two vertex Cu(II) centers, providing a new cyanometallate chain archetype. Direct current magnetic study revealed the presence of ferromagnetic couplings between Fe(III) and Cu(II) ions and uniaxial anisotropy due to a favorable alignment of the anisotropic tricyanoiron(III) units. Moreover, compound 1 exhibits single-chain magnet behavior with an appreciable energy barrier of 72 K, while 2 behaves as a metamagnet, likely caused by the subtle changes in the interchain interactions.

Novel 3D local feature descriptor of point clouds based on spatial voxel homogenization for feature matching.

Obtaining a 3D feature description with high descriptiveness and robustness under complicated nuisances is a significant and challenging task in 3D feature matching. This paper proposes a novel feature description consisting of a stable local reference frame (LRF) and a feature descriptor based on local spatial voxels. First, an improved LRF was designed by incorporating distance weights into Z- and X-axis calculations. Subsequently, based on the LRF and voxel segmentation, a feature descriptor based on voxel homogenization was proposed. Moreover, uniform segmentation of cube voxels was performed, considering the eigenvalues of each voxel and its neighboring voxels, thereby enhancing the stability of the description. The performance of the descriptor was strictly tested and evaluated on three public datasets, which exhibited high descriptiveness, robustness, and superior performance compared with other current methods. Furthermore, the descriptor was applied to a 3D registration trial, and the results demonstrated the reliability of our approach.

First-principles study of the temperature-induced band renormalization in thermoelectric filled skutterudites.

Band structure characteristics, such as band gap and band dispersion, are fundamental properties of materials. Temperature can affect them because of lattice expansion and phonon-induced atomic vibrations. Here, we apply the recently developed electron-phonon renormalization method to study the temperature effect on the band structures of thermoelectric (TE) filled skutterudites BaCo4Sb12, BaFe4Sb12, and YbFe4Sb12 from first-principles. The results reveal that the band gap in BaCo4Sb12 drops slower with temperature compared with our previous study on CoSb3, where it considerably reduces from 0 K to 800 K for BaFe4Sb12 (∼0.222 eV) and YbFe4Sb12 (∼0.201 eV). Furthermore, the band dispersions near the band edges at the Γ-point in the three systems at high temperatures are similar to those at 0 K, and the electron energies have small linewidths, whereas the linewidths for energies near the Fermi level are large. The different phenomena are due to the different phonon vibration-induced electronic structure disorders, reflecting the strength of electron-phonon coupling. Band renormalization would further affect the TE properties of these filled skutterudites. Our work provides a deeper understanding of the temperature-dependent band structure in skutterudites.

Functional screening reveals Toxoplasma prenylated proteins required for endocytic trafficking and rhoptry protein sorting.

In the apicomplexans, endocytosed cargos (e.g., hemoglobin) are trafficked to a specialized organelle for digestion. This follows a unique endocytotic process at the micropore/cytostome in these parasites. However, the mechanism underlying endocytic trafficking remains elusive, due to the repurposing of classical endocytic proteins for the biogenesis of apical organelles. To resolve this issue, we have exploited the genetic tractability of the model apicomplexan Toxoplasma gondii, which ingests host cytosolic materials (e.g., green fluorescent protein[GFP]). We determined an association between protein prenylation and endocytic trafficking, and using an alkyne-labeled click chemistry approach, the prenylated proteome was characterized. Genome editing, using clustered regularly interspaced short palindromic repaet/CRISPR-associated nuclease 9 (CRISPR/Cas9), was efficiently utilized to generate genetically modified lines for the functional screening of 23 prenylated candidates. This identified four of these proteins that regulate the trafficking of endocytosed GFP vesicles. Among these proteins, Rab1B and YKT6.1 are highly conserved but are non-classical endocytic proteins in eukaryotes. Confocal imaging analysis showed that Rab1B and Ras are substantially localized to both the trans-Golgi network and the endosome-like compartments in the parasite. Conditional knockdown of Rab1B caused a rapid defect in secretory trafficking to the rhoptry bulb, suggesting a trafficking intersection role for the key regulator Rab1B. Further experiments confirmed a critical role for protein prenylation in regulating the stability/activity of these proteins (i.e., Rab1B and YKT6.1) in the parasite. Our findings define the molecular basis of endocytic trafficking and reveal a potential intersection function of Rab1B on membrane trafficking in T. gondii. This might extend to other related protists, including the malarial parasites. IMPORTANCE The protozoan Toxoplasma gondii establishes a permissive niche, in host cells, that allows parasites to acquire large molecules such as proteins. Numerous studies have demonstrated that the parasite repurposes the classical endocytic components for secretory sorting to the apical organelles, leaving the question of endocytic transport to the lysosome-like compartment unclear. Recent studies indicated that endocytic trafficking is likely to associate with protein prenylation in malarial parasites. This information promoted us to examine this association in the model apicomplexan T. gondii and to identify the key components of the prenylated proteome that are involved. By exploiting the genetic tractability of T. gondii and a host GFP acquisition assay, we reveal four non-classical endocytic proteins that regulate the transport of endocytosed cargos (e.g., GFP) in T. gondii. Thus, we extend the principle that protein prenylation regulates endocytic trafficking and elucidate the process of non-classical endocytosis in T. gondii and potentially in other related protists.

Maldistribution of Chemical Bond Strength Inducing Exceptional Anisotropy of Thermal Conductivity in Non-Layered Materials.

Currently, the efforts to find materials with high κ anisotropy ratios mainly focus on layered materials, however, the limited quantity and lower workability comparing to non-layered ones boost the exploration of non-layered materials with high κ anisotropy ratios. Here, taking PbSnS3 , a typical non-layered orthorhombic compound, as an example, we propose that maldistribution of chemical bond strength can lead to large anisotropy of κ in non-layered materials. Our result reveals that the maldistribution of Pb-S bonds lead to obvious collective vibrations of dioctahedron chain units, resulting in an anisotropy ratio up to 7.1 at 200 K and 5.5 at 300 K, respectively, which is one of the highest ever reported in non-layered materials and even surpasses many classical layered materials such as Bi2 Te3 and SnSe. Our findings can not only broaden the horizon for exploring high anisotropic κ materials but also provide new opportunities for the application of thermal management.

ING5 overexpression upregulates miR-34c-5p/Snail1 to inhibit EMT and invasion of lung cancer cells.

ING5 belongs to the inhibitor of growth (ING) candidate tumor suppressor family, which is involved in multiple cellular functions, such as cell cycle regulation, apoptosis, and chromatin remodelling. Previously, we reported that ING5 overexpression inhibits EMT by regulating EMT-related molecules, including Snail1, at the mRNA and protein levels. However, the mechanisms remain unclear. In the current study, we identify that ING5 overexpression induces the upregulation of miR-34c-5p. The expression levels of both ING5 and miR-34c-5p in NSCLC tissues from the TCGA database are decreased compared with that in adjacent tissues. Higher expression levels of both ING5 and miR-34c-5p predict longer overall survival (OS). Snail1 is the target gene of miR-34c-5p, as predicted by an online database, which is further verified by a dual-luciferase reporter assay. The expression level of Snail1 in NSCLC cells is markedly reduced following miR-34c-5p overexpression, leading to the inactivation of the Snail1 downstream TGF-ß/Smad3 signaling pathway. The TGF-ß signaling-specific inhibitor LY2157299 reverses the enhanced EMT, proliferation, migration, and invasion abilities induced by the miR-34c-5p inhibitor. Furthermore, tail vein injection of miR-34c-5p agomir inhibits xenografted tumor metastasis. Overall, this study concludes that miR-34c-5p, induced by ING5 overexpression, is a tumor suppressor that targets Snail1 and mediates the inhibitory effects of ING5 on the EMT and invasion of NSCLC cells. These results provide a novel mechanism mediating the antitumor effects of ING5.

Polymer-Unit Fingerprint (PUFp): An Accessible Expression of Polymer Organic Semiconductors for Machine Learning.

High-performance organic semiconductors (OSCs) can be designed based on the identification of functional units and their role in the material properties. Herein, we present a polymer-unit fingerprint (PUFp) generation framework, "Python-based polymer-unit-recognition script" (PURS), to identify the subunits "polymer unit" in the polymer and generate polymer-unit fingerprint (PUFp). Using 678 collected OSC data, machine learning (ML) models can be used to determine structure-mobility relationships by using PUFp as a structural input, and the classification accuracy reaches 85.2%. A polymer-unit library consisting of 445 units is constructed, and the key polymer units affecting the mobility of OSCs are identified. By investigating the combinations of polymer units with mobility performance, a scheme for designing OSCs by combining ML approaches and PUFp information is proposed. This scheme not only passively predicts OSC mobility but also actively provides structural guidance for high-mobility OSC material design. The proposed scheme demonstrates the ability to screen materials through pre-evaluation and classification ML steps and is an alternative methodology for applying ML in high-mobility OSC discovery.