IGF2 promotes alveolar bone regeneration in murine periodontitis via inhibiting cGAS/STING-mediated M1 macrophage polarization.

Periodontitis is a chronic inflammatory disease with the destruction of supporting periodontal tissue. This study evaluated the role of insulin-like growth factor 2 (IGF2) in periodontitis by inhibiting the polarization of M1 macrophages via the cyclic GMP-AMP synthase (cGAS)/stimulator of interferon genes (STING) pathway. IGF2 was enriched in the gingival tissue of murine periodontitis model identified by RNA sequencing. IGF2 application alleviated the expression of pro-inflammatory factors and promoted osteogenesis and the expression of related genes and proteins in a dose-dependent manner in periodontitis. The result of micro-CT verified this finding. Both in vivo and in vitro results revealed that IGF2 decreased the polarization of M1 macrophages and pro-inflammatory factors by immunofluorescence staining, flow cytometry, western blotting and RT-PCR. IGF2 application promoted the osteogenic ability of periodontal ligament fibroblasts (PDLFs) indirectly via its inhibition of M1 polarization evaluated by alkaline phosphatase and alizarin red staining. Then, the cGAS/STING pathway was upregulated in periodontitis and macrophages challenged by LPS, the inhibition of which led to downregulation of M1 polarization. Furthermore, IGF2 could downregulate cGAS, STING and the phosphorylation of P65. Collectively, our study indicates IGF2 can regulate the polarization of M1 macrophages via the cGAS/STING pathway and highlights the promising future of IGF2 as a therapeutic treatment for periodontitis.

Probing the Chemistry of Sulfurous Pollutants: Accurate Thermochemistry Determination of Extensive Sulfur-Containing Species.

Sulfur-containing fuels, such as petroleum fuels, natural gas, and biofuels, produce SO2, SO3, and other highly toxic gases upon combustion, which are harmful to human health and the environment, making it essential to understand their thermochemical properties. This study used high-level quantum chemistry calculations to determine thermodynamic parameters, including entropy, enthalpy, and specific heat capacity for an extensive set of sulfur-containing species. The B3LYP/cc-pVTZ level of theory was used for geometry optimization, vibration frequency, and dihedral scan calculations. To determine an appropriate ab initio method for energy calculation, the Bland-Altman diagram, a statistical analysis method, was employed to visualize the 298 K enthalpy value between experimental data and three sets of ab initio methods: G3, CBS-QB3, and the average of G3 plus CBS-QB3. The CBS-QB3 method exhibited the highest accuracy and was eventually selected for the energy calculation in this study. Thermochemical property parameters were then calculated with the MultiWell program suite for all these sulfur-containing species, and the results were in good agreement with the thermochemical data of organic compounds and the National Institute of Standards and Technology Chemistry WebBook databases. The thermochemical property database established in this study is essential to studying sulfur-containing species in desulfurization.

SALL4 in gastrointestinal tract cancers: upstream and downstream regulatory mechanisms.

Effective therapeutic targets and early diagnosis are major challenges in the treatment of gastrointestinal tract (GIT) cancers. SALL4 is a well-known transcription factor that is involved in organogenesis during embryonic development. Previous studies have revealed that SALL4 regulates cell proliferation, survival, and migration and maintains stem cell function in mature cells. Additionally, SALL4 overexpression is associated with tumorigenesis. Despite its characterization as a biomarker in various cancers, the role of SALL4 in GIT cancers and the underlying mechanisms are unclear. We describe the functions of SALL4 in GIT cancers and discuss its upstream/downstream genes and pathways associated with each cancer. We also consider the possibility of targeting these genes or pathways as potential therapeutic options for GIT cancers.

Structure Sensitivity of Metal Catalysts Revealed by Interpretable Machine Learning and First-Principles Calculations.

The nature of the active sites and their structure sensitivity are the keys to rational design of efficient catalysts but have been debated for almost one century in heterogeneous catalysis. Though the Brønsted-Evans-Polanyi (BEP) relationship along with linear scaling relation has long been used to study the reactivity, explicit geometry, and composition properties are absent in this relationship, a fact that prevents its exploration in structure sensitivity of supported catalysts. In this work, based on interpretable multitask symbolic regression and a comprehensive first-principles data set, we discovered a structure descriptor, the topological under-coordinated number mediated by number of valence electrons and the lattice constant, to successfully address the structure sensitivity of metal catalysts. The database used for training, testing, and transferability investigation includes bond-breaking barriers of 20 distinct chemical bonds over 10 transition metals, two metal crystallographic phases, and 17 different facets. The resulting 2D descriptor composing the structure term and the reaction energy term shows great accuracy to predict the reaction barriers and generalizability over the data set with diverse chemical bonds in symmetry, bond order, and steric hindrance. The theory is physical and concise, providing a constructive strategy not only to understand the structure sensitivity but also to decipher the entangled geometric and electronic effects of metal catalysts. The insights revealed are valuable for the rational design of the site-specific metal catalysts.

A 33nW Fully Autonomous SoC With Distributed Cooperative Energy Harvesting and Multi-Chip Power Management for mm-Scale System-in-Fiber.

This article presents a fully autonomous system-on-chip (SoC) that can be distributed along a fiber strand, capable of simultaneously harvesting energy, cooperatively scaling performance, sharing power, and booting-up with other in-fiber SoCs for ultra-low-power (ULP) sensing applications. Utilizing a custom switched capacitor energy harvesting and power management unit (EHPMU), the SoC can efficiently redistribute and reuse harvested energy along the fiber. Integrated on-chip, the ULP RISC-V digital core and temperature sensor enable energy-efficient sensing and computation at nanowatt power levels. A dedicated ripple boot-up and cooperative dynamic voltage and frequency scaling (DVFS) further optimize the operation and physical size of the system. Fabricated in 65 nm, measurement results show that the proposed SoC achieves 33 nW power consumption for the whole chip under 92 Lux lighting condition and can reduce control power down to 2.7 nW for the EHPMU. With the proposed power sharing and cooperative DVFS techniques, the SoC reduces the illuminance needed to stay alive by >7× down to 12 Lux. Integrated into a mm-scale polymer fiber, our SoC demonstrates the feasibility of fully autonomous and ULP on-body sensing systems in resource-constrained fiber environments.

Development of a novel patient-reported outcome measure for orthognathic surgery.

OBJECTIVES: This study aimed to develop a new patient-reported outcome measure (PROM) to systematically and scientifically evaluate patients' subjective feelings after orthognathic surgery. METHODS: A literature review and semi-structured interviews were conducted to construct a conceptual framework and an item pool, followed by expert and patient surveys for measure construction. We conducted a clinical investigation to test the feasibility, reliability, and content validity of this measure. RESULTS: The conceptual framework included four domains: psychological health, physiological health, social function, and satisfaction, and 33 items were included in the survey. Following the expert analysis, 31 items remained in the draft. The clinical investigation showed a 100% recovery and completion rate and good reliability, with Cronman-Brown formula coefficients of 0.893 and 0.944, respectively. CONCLUSIONS: A new outcome measure to evaluate patients' subjective feelings after orthognathic surgery was successfully developed, and the clinical investigation demonstrated that the PROM had satisfactory feasibility, reliability, and validity. Further studies are possible based on our PROM, and data on a larger scale may reveal more information on patients' subjective feelings about orthognathic surgery. CLINICAL SIGNIFICANCE: The novel PROM provides a systematic and scientific way to evaluate the patient's subjective feelings to help surgeons obtain complete patient-reported information after orthognathic surgery. Additionally, standardised multicentre research on patients' subjective feelings using our PROM is possible and could improve the effectiveness of the evaluation and help maintain treatment quality.

Multi-Enzymatic Cascade for Efficient Deracemization of dl-Pantolactone into d-Pantolactone.

d-pantolactone is an intermediate in the synthesis of d-pantothenic acid, which is known as vitamin B5. The commercial synthesis of d-pantolactone is carried out through the selective resolution of dl-pantolactone catalyzed by lactone hydrolase. In contrast to a kinetic resolution approach, the deracemization of dl-pantolactone is a simpler, greener, and more sustainable way to obtain d-pantolactone with high optical purity. Herein, an efficient three-enzyme cascade was developed for the deracemization of dl-pantolactone, using l-pantolactone dehydrogenase from Amycolatopsis methanolica (AmeLPLDH), conjugated polyketone reductase from Zygosaccharomyces parabailii (ZpaCPR), and glucose dehydrogenase from Bacillus subtilis (BsGDH). The AmeLPLDH was used to catalyze the dehydrogenated l-pantolactone into ketopantolactone; the ZpaCPR was used to further catalyze the ketopantolactone into d-pantolactone; and glucose dehydrogenase together with glucose fulfilled the function of coenzyme regeneration. All three enzymes were co-expressed in E. coli strain BL21(DE3), which served as the whole-cell biocatalyst. Under optimized conditions, 36 h deracemization of 1.25 M dl-pantolactone d-pantolactone led to an e.e.p value of 98.6%, corresponding to productivity of 107.7 g/(l·d).

B5N3 as a potential high-capacity electrode material for calcium ion batteries.

Calcium ion batteries (CIBs) are considered as promising candidates for the next-generation large-scale energy storage technologies, due to the abundant resources and bivalent properties of calcium. Herein, based on first principles calculations, we systematically explore the performance of B5N3 as an electrode material for chargeable CIBs. Specifically, the adsorption of the Ca atom effectively reduces the band gap of B5N3, leading to good electrical conductivity. Additionally, the B5N3 monolayer can achieve an effective double-layered adsorption of Ca atoms on both sides of the monolayer surface, thus exhibiting an ultra-high theoretical capacity of 4463 mA h g-1 (Ca) compared with the capacities of Na (2231 mA h g-1), Li (1116 mA h g-1) and K (558 mA h g-1). The high capacity is attributed to the multiple empty electron orbitals of the constituent elements of B5N3 and low distance mismatch which can exhibit excellent adsorption properties for multivalent atoms. Furthermore, the low diffusion energy barriers and satisfactory thermal stability ensure the reliability of B5N3 as a CIB electrode material. Our work not only develops an excellent candidate for the electrode materials of CIBs, but may also inspire the rational design and synthesis of electrode materials towards high-performance CIBs.

Sulfolane-containing aqueous electrolyte solutions for producing efficient ampere-hour-level zinc metal battery pouch cells.

Aqueous zinc metal batteries are appealing candidates for grid energy storage. However, the inadequate electrochemical reversibility of the zinc metal negative electrode inhibits the battery performance at the large-scale cell level. Here, we develop practical ampere-hour-scale aqueous Zn metal battery pouch cells by engineering the electrolyte solution. After identifying the proton reduction as the primary source of H2 evolution during Zn metal electrodeposition, we design an electrolyte solution containing reverse micelle structures where sulfolane molecules constrain water in nanodomains to hinder proton reduction. Furthermore, we develop and validate an electrochemical testing protocol to comprehensively evaluate the cell's coulombic efficiency and zinc metal electrode cycle life. Finally, using the reverse micelle electrolyte, we assemble and test a practical ampere-hour Zn||Zn0.25V2O5•nH2O multi-layer pouch cell capable of delivering an initial energy density of 70 Wh L-1 (based on the volume of the cell components), capacity retention of about 80% after 390 cycles at 56 mA g-1cathode and ~25 °C and prolonged cycling for 5 months at 56 mA g-1cathode and ~25 °C.

Stretchable Woven Fabric-Based Triboelectric Nanogenerator for Energy Harvesting and Self-Powered Sensing.

With the triboelectric nanogenerator developing in recent years, it has gradually become a promising alternative to fossil energy and batteries. Its rapid advancements also promote the combination of triboelectric nanogenerators and textiles. However, the limited stretchability of fabric-based triboelectric nanogenerators hindered their development in wearable electronic devices. Here, in combination with the polyamide (PA) conductive yarn, polyester multifilament, and polyurethane yarn, a highly stretchable woven fabric-based triboelectric nanogenerator (SWF-TENG) with the three elementary weaves is developed. Different from the normal woven fabric without elasticity, the loom tension of the elastic warp yarn is much larger than non-elastic warp yarn in the weaving process, which results in the high elasticity of the woven fabric coming from the loom. Based on the unique and creative woven method, SWF-TENGs are qualified with excellent stretchability (up to 300%), flexibility, comfortability, and excellent mechanical stability. It also exhibits good sensitivity and fast responsibility to the external tensile strain, which can be used as a bend-stretch sensor to detect and identify human gait. Its collected power under pressure mode is capable of lighting up 34 light-emitting diodes (LEDs) by only hand-tapping the fabric. SWF-TENG can be mass-manufactured by using the weaving machine, which decreases fabricating costs and accelerates industrialization. Based on these merits, this work provides a promising direction toward stretchable fabric-based TENGs with wide applications in wearable electronics, including energy harvesting and self-powered sensing.

Hyoid bone position in subjects with different facial growth patterns of different dental ages.

OBJECTIVE: To explore the correlation between hyoid bone (HB) positions and facial growth patterns (facial patterns) in Chinese adults; to identify any significant difference in HB position among subjects with different facial patterns in various dental ages. METHODS: Lateral cephalometric radiographs of 197 Chinese subjects were divided into nine groups based on their dental ages and facial patterns. Seven measurements were used to define HB position. Regression, correlation analyses, and one-way ANOVA were carried out. RESULTS: Significant correlations were found between facial patterns and anteroposterior HB positions. The HB was more anterior in the horizontal group after mixed dentition and further away from the mandibular plane in the vertical group of adults. Vertical HB positions were insignificantly different in any stage. CONCLUSION: HB position and facial patterns were correlated. There were significantly different HB positions among people with different facial patterns in various dental ages.

ILK regulates osteogenic differentiation of Human Periodontal Ligament Stem Cells through YAP-mediated Mechanical Memory.

Mechanical memory meant the mechanical properties of the matrix could influence the cell fate even after the matrix was changed and has been justified in many kinds of cells. To utilize the phenomenon to improve periodontal tissue engineering, we studied whether mechanical memory existed in human periodontal ligament stem cells and testified if ILK plays a role in this process. The substrate of different stiffness was fabricated by gelatin methacrylate hydrogel. Two groups of hPDLSCs with stiff (St) and soft (So) matrix, respectively, were cultivated. Then, half of the cells exchanged their matrix stiffness in the fourth passage and therefore So, St, So-St, and St-So were formed. Morphology of hPDLSCs and intracellular location of YAP was observed via fluorescence staining, osteogenic differentiation of hPDLSCs was assessed by real-time PCR, ALP staining, and Western blot. Then, all these were reassessed after the ILK gene had been knocked down. The results showed that morphology and YAP location of hPDLSCs were different between matrix changed and unchanged groups; osteogenic genes expression, ALP staining, and Western blot also varied. After the ILK gene had been knocked down, the YAP location and osteogenic activity of hPDLSCs were significantly influenced. Thus, it could be concluded that mechanical memory exists in hPDLSCs; ILK is involved in this process.

Polymeric Single-Ion Conductors with Enhanced Side-Chain Motion for High-Performance Solid Zinc-Ion Batteries.

Zn-based solid polymer electrolytes (SPEs) have enormous potential in realizing high-performance zinc-ion batteries. Polymeric single-ion conductor (PSIC)-based SPEs can largely eradicate anion migration and side reactions of electrodes with decreased polarization, but the ionic conductivity is still unsatisfactory due to the tight localized ion interactions and sluggish chain motion. Herein, by employing the heterocyclic tetrazole as the anionic center of the side chain, a novel PSIC is fabricated with optimized charge delocalization and enhanced side-chain motion. The as-prepared PSIC delivers an ionic conductivity up to 5.4 × 10-4 S cm-1 with an ultrahigh Zn2+ transference number of 0.94. Based on the PSIC, dendrite-free and hydrogen-free Zn plating/stripping cycling (2000 h) is achieved. A further assembled Zn‖V2 O5 battery exhibits superior performances to other solid ZIBs, including a high discharge capacity, excellent rate capability, and long cycling life. In addition, a remarkable shelf-life (90 d), low self-discharge rate, and good temperature adaptability of the solid battery can be achieved benefiting from the high stability of the SPE during operation. The PSIC-based SPEs with advanced ion-transport structure endow solid ZIBs with significant performance improvement, high safety, and durability.

Quantitatively Determining Surface-Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning.

Learning microscopic properties of a material from its macroscopic measurables is a grand and challenging goal in physical science. Conventional wisdom is to first identify material structures exploiting characterization tools, such as spectroscopy, and then to infer properties of interest, often with assistance of theory and simulations. This indirect approach has limitations due to the accumulation of errors from retrieving structures from spectral signals and the lack of quantitative structure-property relationship. A new pathway directly from spectral signals to microscopic properties is highly desirable, as it would offer valuable guidance toward materials evaluation and design via spectroscopic measurements. Herein, we exploit machine-learned vibrational spectroscopy to establish quantitative spectrum-property relationships. Key interaction properties of substrate-adsorbate systems, including adsorption energy and charge transfer, are quantitatively determined directly from Infrared and Raman spectroscopic signals of the adsorbates. The machine-learned spectrum-property relationships are presented as mathematical formulas, which are physically interpretable and therefore transferrable to a series of metal/alloy surfaces. The demonstrated ability of quantitative determination of hard-to-measure microscopic properties using machine-learned spectroscopy will significantly broaden the applicability of conventional spectroscopic techniques for materials design and high throughput screening under operando conditions.

Work function regulation of surface-engineered Ti2CT2 MXenes for efficient electrochemical nitrogen reduction reaction.

Electrochemical conversion of nitrogen to ammonia is a promising method in modern agriculture and industry due to its suitability and feasibility under mild conditions. Therefore, seeking electrocatalysts and understanding the catalytic mechanisms are of great importance. In this work, by combining the concept of the synergetic effect of the terminal vacancy and transition metal active center, we studied the whole catalytic mechanism of defective Ti2CT2 MXenes with functional groups (T = O, F, H, OH) by employing first-principles calculations. It is demonstrated that the electron transfer behavior of 2D transition metal carbides can be tuned by modifying the surface functional groups. Herein, the rarely investigated work function regulation is proved to effectively alter the electron transfer ability, thus the binding strength of key intermediates on the surface can be optimized. Besides, Ti2CO2 with an oxygen vacancy is identified as a promising candidate through a distal mechanism, where the calculated electronic properties reveal that the introduction of in-gap states is responsible for activating N2 with physical adsorption. In addition, obvious orbital splitting of the σ and π* orbitals of N2 is observed due to the hybridization of frontier orbitals. The symmetry matching rule of the frontier orbitals of π* 2p and the σ 2p orbitals of N with Ti d orbitals further illustrates the "acceptance-donation" interaction. These theoretical insights highlight the underlying mechanism of the synergetic effect of surficial vacancy and exposed transition metal atoms, and provide an alternative view of designing efficient NRR electrocatalysts.

High-Voltage Organic Cathodes for Zinc-Ion Batteries through Electron Cloud and Solvation Structure Regulation.

Redox-active organic materials, as a new generation of sustainable resources, are receiving increasing attention in zinc-ion batteries (ZIBs) due to their resource abundance and tunable structure. However, organic molecules with high potential are rare, and the voltage of most reported organic cathode-based ZIBs is less than 1.2 V. Herein, we explored the redox process of p-type organics and figured out the relationship between energy change and voltage output during the process. Then, we proposed a dual-step strategy to effectively tune the energy change and eventually improve the output voltage of the organic electrode. Combining the regulation of the electron cloud of organic molecules and the manipulation of the solvation structure, the output voltage of an organosulfur compound based ZIB was greatly increased from 0.8 V to 1.7 V. Our results put forward a specific pathway to improve the working voltage and lay the foundation for the practical application of organic electrodes.

Small-Dipole-Molecule-Containing Electrolytes for High-Voltage Aqueous Rechargeable Batteries.

High-voltage aqueous rechargeable batteries are promising competitors for next-generation energy storage systems with safety and high specific energy, but they are limited by the absence of low-cost aqueous electrolytes with a wide electrochemical stability window (ESW). The decomposition of aqueous electrolytes is mainly facilitated by the hydrogen bond network between water molecules and the water molecules in the solvation sheath. Here, three types of small dipole molecules (small molecules containing a dipole; glycerol (Gly), erythritol (Et), and acrylamide (AM)) are reported to develop aqueous electrolytes with high safety and wide ESW (over 2.5 V) for aqueous lithium-, sodium-, and zinc-ion batteries, respectively. The solvation-sheath structures are explored by ab initio molecular dynamics (MD) simulations, demonstrating that three types of dipole molecules deplete the water molecules in the solvation sheath of the charge carrier and break the hydrogen bond network between the water molecules, thus effectively expanding the ESW. A battery constructed from lithium titanate and lithium manganate in Gly-containing electrolyte exhibits an output voltage of 2.45 V and retains a specific capacity of 119.6 mAh g-1 after 400 cycles. This work provides another strategy for exploiting low-cost high-voltage electrolytes for aqueous energy-storage systems.

Engineering of Yeast Old Yellow Enzyme OYE3 Enables Its Capability Discriminating of (E)-Citral and (Z)-Citral.

The importance of yeast old yellow enzymes is increasingly recognized for direct asymmetric reduction of (E/Z)-citral to (R)-citronellal. As one of the most performing old yellow enzymes, the enzyme OYE3 from Saccharomyces cerevisiae S288C exhibited complementary enantioselectivity for the reduction of (E)-citral and (Z)-citral, resulting in lower e.e. value of (R)-citronellal in the reduction of (E/Z)-citral. To develop a novel approach for the direct synthesis of enantio-pure (R)-citronellal from the reduction of (E/Z)-citral, the enzyme OYE3 was firstly modified by semi-rational design to improve its (R)-enantioselectivity. The OYE3 variants W116A and S296F showed strict (R)-enantioselectivity in the reduction of (E)-citral, and significantly reversed the (S)-enantioselectivity in the reduction of (Z)-citral. Next, the double substitution of OYE3 led to the unique variant S296F/W116G, which exhibited strict (R)-enantioselectivity in the reduction of (E)-citral and (E/Z)-citral, but was not active on (Z)-citral. Relying on its capability discriminating (E)-citral and (Z)-citral, a new cascade reaction catalyzed by the OYE3 variant S296F/W116G and glucose dehydrogenase was developed, providing the enantio-pure (R)-citronellal and the retained (Z)-citral after complete reduction of (E)-citral.