First Principles Investigation of C, Cl2 and CO Co-Adsorption on ZrSiO4 Surfaces for Carbochlorination Reaction.

The study of the adsorption behavior of C, CO and Cl2 on the surface of ZrSiO4 is of great significance for the formulation of the technological parameters in the carbochlorination reaction process. Based on first principles, the adsorption structure, adsorption energy, Barder charge, differential charge density, partial density of states and energy barrier were calculated to research the adsorption and reaction mechanism of C and Cl2 on ZrSiO4 surfaces. The results indicated that when C, CO and Cl2 co-adsorbed on the surface of ZrSiO4, they interacted with surface atoms and the charge transfer occurred. The Cl2 molecules dissociated and formed Zr-Cl bonds, while C atoms formed C1=O1 bonds with O atoms. Compared with CO, the co-adsorption energy and reaction energy barrier of C and Cl2 are lower, and the higher the C content, the lower the adsorption energy and energy barrier, which is beneficial for promoting charge transfer and the dissociation of Cl2. The 110-2C-2Cl2 has the lowest adsorption energy and the highest reaction activity, with adsorption energy and energy barriers of -13.45 eV and 0.02 eV. The electrons released by C are 2.30 e, while the electrons accepted by Cl2 are 2.37 e.

Sequence-Structure Analysis Unlocking the Potential Functional Application of the Local 3D Motifs of Plant-Derived Diterpene Synthases.

Plant-derived diterpene synthases (PdiTPSs) play a critical role in the formation of structurally and functionally diverse diterpenoids. However, the specificity or functional-related features of PdiTPSs are not well understood. For a more profound insight, we collected, constructed, and curated 199 functionally characterized PdiTPSs and their corresponding 3D structures. The complex correlations among their sequences, domains, structures, and corresponding products were comprehensively analyzed. Ultimately, our focus narrowed to the geometric arrangement of local structures. We found that local structural alignment can rapidly localize product-specific residues that have been validated by mutagenesis experiments. Based on the 3D motifs derived from the residues around the substrate, we successfully searched diterpene synthases (diTPSs) from the predicted terpene synthases and newly characterized PdiTPSs, suggesting that the identified 3D motifs can serve as distinctive signatures in diTPSs (I and II class). Local structural analysis revealed the PdiTPSs with more conserved amino acid residues show features unique to class I and class II, whereas those with fewer conserved amino acid residues typically exhibit product diversity and specificity. These results provide an attractive method for discovering novel or functionally equivalent enzymes and probing the product specificity in cases where enzyme characterization is limited.

Prolonged generation of multi-lineage blood cells in wild-type animals from pluripotent stem cells.

Regenerating prolonged multi-lineage hematopoiesis from pluripotent stem cells (PSCs), an unlimited cell source, is a crucial aim of regenerative hematology. In this study, we used a gene-edited PSC line and revealed that simultaneous expression of three transcription factors, Runx1, Hoxa9, and Hoxa10, drove the robust emergence of induced hematopoietic progenitor cells (iHPCs). The iHPCs engrafted successfully in wild-type animals and repopulated abundant and complete myeloid-, B-, and T-lineage mature cells. The generative multi-lineage hematopoiesis distributed normally in multiple organs, persisted over 6 months, and eventually declined over time with no leukemogenesis. Transcriptome characterization of generative myeloid, B, and T cells at the single-cell resolution further projected their identities to natural cell counterparts. Thus, we provide evidence that co-expression of exogenous Runx1, Hoxa9, and Hoxa10 simultaneously leads to long-term reconstitution of myeloid, B, and T lineages using PSC-derived iHPCs as the cell source.

Identification and characterization of innate lymphoid cells generated from pluripotent stem cells.

Innate lymphoid cells (ILCs) play important roles in regulating tissue homeostasis and innate immune responses. Generation of ILCs after engraftment of pluripotent stem cell (PSC)-derived hematopoietic progenitors (iHPCs) has not yet been reported. Here, we document that ILCs exist in Rag2-/-Il2rg-/- recipients engrafted with PSC-derived iHPCs guided by Runx1 and Hoxa9 expression. Upon transplantation, iHPCs immediately give rise to ILC-related progenitors containing common helper ILC progenitors in the bone marrow, followed by a more restricted population named ILC progenitors, which are able to further differentiate into mature ILCs in the primary and secondary immunodeficient recipients. The PSC-derived ILCs exhibit multiple tissue distributions and normal immunological functions. Single-cell transcriptomics illustrates the developmental trajectory of PSC-derived ILCs in vivo, which is consistent with that of natural ILCs. Our study provides insights into the generation of ILCs in animals transplanted with PSC-derived iHPCs as a cell source.

Regeneration of immunocompetent B lymphopoiesis from pluripotent stem cells guided by transcription factors.

Regeneration of functional B lymphopoiesis from pluripotent stem cells (PSCs) is challenging, and reliable methods have not been developed. Here, we unveiled the guiding role of three essential factors, Lhx2, Hoxa9, and Runx1, the simultaneous expression of which preferentially drives B lineage fate commitment and in vivo B lymphopoiesis using PSCs as a cell source. In the presence of Lhx2, Hoxa9, and Runx1 expression, PSC-derived induced hematopoietic progenitors (iHPCs) immediately gave rise to pro/pre-B cells in recipient bone marrow, which were able to further differentiate into entire B cell lineages, including innate B-1a, B-1b, and marginal zone B cells, as well as adaptive follicular B cells. In particular, the regenerative B cells produced adaptive humoral immune responses, sustained antigen-specific antibody production, and formed immune memory in response to antigen challenges. The regenerative B cells showed natural B cell development patterns of immunoglobulin chain switching and hypermutation via cross-talk with host T follicular helper cells, which eventually formed T cell-dependent humoral responses. This study exhibits de novo evidence that B lymphopoiesis can be regenerated from PSCs via an HSC-independent approach, which provides insights into treating B cell-related deficiencies using PSCs as an unlimited cell resource.

Polyethyleneimine grafted starch nanocrystals as a novel biosorbent for efficient removal of methyl blue dye.

In this paper, a novel biosorbent of SNCs-PEI was successfully prepared by grafting polyethylenimine (PEI) onto the starch nanocrystals (SNCs) using glutaraldehyde as a crosslinking agent. The optimal preparation conditions of SNCs-PEI were determined by the orthogonal experiments of the three-factor and three-level, and the SNCs-PEI was characterized by Fourier transform infrared spectroscopy (FT-IR), energy-dispersive X-ray spectroscopy (EDAX), X-ray diffraction (XRD), and scanning electron microscopy (SEM). The zeta potential of SNCs-PEI was +26.3 mV (pH 7), which had a good adsorption performance for the anionic dye methyl blue (MB). The adsorption kinetics and isotherm of MB by SNCs-PEI were studied. At the temperature of 25, 30 and 35 °C, its maximum adsorption capacity was 337.84, 377.36 and 383.14 mg g-1, respectively. The adsorption of MB by the SNCs-PEI was a spontaneous and endothermic process according to the thermodynamic analysis.

Evaluation of Epigallocatechin-3-Gallate as a Radioprotective Agent During Radiotherapy of Lung Cancer Patients: A 5-Year Survival Analysis of a Phase 2 Study.

BACKGROUND: Previous analysis of the study (NCT02577393) had demonstrated the application of epigallocatechin-3-gallate (EGCG) could be safe and effective in the prevention and treatment of acute radiation esophagitis in patients with advanced lung cancer. EGCG seemed to improve the response rate of small cell lung cancer (SCLC) to radiotherapy in a subgroup analysis. This research continued to analyze the impact of EGCG application on cancer-radiation efficacy and patient survival. METHODS: All patients with SCLC in the NCT02577393 study were included. Patients were randomized into EGCG group or conventional therapy group as protocol. The primary endpoints of the study were radiation response rate and progression-free survival (PFS). Overall survival (OS) and the efficacy of EGCG in the treatment of esophagitis were assessed as secondary endpoints. RESULTS: A total of 83 patients with lung cancer in the NCT02577393 study were screened, and all 38 patients with SCLC were eligible for analysis. No significant differences with regard to baseline demographic and clinical characteristics were observed between the two groups. The objective response rate (ORR) was higher than that of conventionally treated patients (84.6 vs 50%, P = 0.045), while the median PFS and OS were not significantly prolonged. At data cut-off (1 January 2021), 5-year PFS was 33% with EGCG versus 9.3% with conventional treatment, and 5-year OS was 30.3% versus 33.3%, respectively. The mean adjusted esophagitis index and pain index of patients with EGCG application were lower than conventional treatment (5.15 ± 2.75 vs 7.17 ± 1.99, P = 0.030; 8.62 ± 5.04 vs 15.42 ± 5.04, P < 0.001). CONCLUSION: The study indicates EGCG may alleviate some esophagitis-related indexes in SCLC patients exposed to ionizing radiation without reducing survival. However, this conclusion should be confirmed by further studies with large sample size.

Preparation and characterization of nanostarch-based green hard capsules reinforced by cellulose nanocrystals.

The green hard capsules were prepared with corn nano-starch (CNS) and cellulose nanocrystal (CNC) in this study, the glycerol and carrageenan were used as plasticizer and gelling agent in the CNS/CNC gel solution, respectively. The capsule-films with different CNC content were prepared by casting method, and the dipping method was used in preparation of the corresponding capsules. The compatibility of CNS/CNC capsules was analyzed by Fourier Transform Infrared spectroscopy (FTIR) and X-Ray Diffraction (XRD), and the morphology of the capsules was analyzed by Scanning Electron Microscopy (SEM). The results showed that the tensile strength of the CNS based capsule-film was significantly improved with the addition of CNC. When the content of CNC was 6.0%, the tensile strength increased by 238.10%. The transparency of the capsule with different CNC contents was slightly reduced, but was greater than 87.0%. The loss on drying of CNS/CNC capsule was between 12.87% and 15.03%, and it could be completely dissolved in the artificial gastric juice within 6.0 min, which was in accordance with the provisions of Chinese Pharmacopoeia (2015).

[An animal experimental study on domestic robot-assisted total knee arthroplasty].

OBJECTIVE: To evaluate the performance, safety, and precision of the Yuanhua robotic-assisted total knee arthroplasty system (YUANHUA-TKA) through animal experiments, which will provide reference data for human clinical trials. METHODS: Six 18-month-old goats, weighing 30-35 kg, were used in this study. The experimental study was divided into two parts: the preoperative planning and intraoperative bone resection. CT scans of the goats' lower extremities were firstly performed before the experiments. Then the CT scans were segmented to generate the femoral and tibial three-dimensional (3D) models in the YUANHUA-TKA system. The volumes and angles of each resection plane on the femur and tibia were planned. The bone resection was finally implemented under the assistance of the YUANHUA-TKA system. After completing all bone resections, the lower extremities of each goat were taken to have CT scans. By comparing the femoral and tibial 3D models before and after the experiments, the actual bone resection volumes and angles were calculated and compared with the preoperative values. RESULTS: During the experiments, no abnormal bleeding was found; the YUANHUA-TKA system ran smoothly and stably and was able to stop moving and keep the osteotomy in the safe zone all the time. After the experiment, the resection planes were observed immediately and found to be quite flat. There was no significant difference between the planned and actual osteotomy thickness and osteotomy angle ( P>0.05); the error of the osteotomy thickness was less than 1 mm, and the error of the osteotomy angle was less than 2°. CONCLUSION: The YUANHUA-TKA system can assist the surgeons to perform osteotomy following the planned thickness and angle values. It is expected to assist surgeons to implement more accurate and efficient osteotomy in the future clinical applications.

Metformin administration during pregnancy attenuated the long-term maternal metabolic and cognitive impairments in a mouse model of gestational diabetes.

BACKGROUND: Gestational diabetes mellitus (GDM) is a metabolic disease that can have long-term adverse effects on the cognitive function of mothers. In our study, we explored the changes in metabolic health and cognitive function in mice of middle- and old- age after exposure to GDM, and whether metformin therapy during pregnancy provided long-term benefits. RESULTS: Mice with GDM demonstrated significant cognitive impairment in old age, which was associated with insulin resistance. Gestational metformin therapy was shown to increase insulin sensitivity and improve cognition. The ovarian aging rate was also accelerated in mice exposed to GDM during pregnancy, which may be related to fatty acid metabolism in the ovaries. CONCLUSION: Treatment with metformin during pregnancy was shown to improve fatty acid metabolism in ovarian tissues. METHOD: During pregnancy, mice were fed with a high-fat diet (GDM group) or a low-fat diet (Control group), and a third group received metformin while receiving a high-fat diet (Treatment group). At 12 months old, the mice completed an oral glucose tolerance test, insulin tolerance test, Morris water maze test, female sex hormones were measured, and metabolite profiles of tissue from the ovaries, hypothalamus, and pituitary glands were analysed using gas chromatography-mass spectrometry.

Exfoliating two-dimensional materials into few layers via optimized environmentally-friendly ternary solvents.

Exfoliation of two-dimensional (2D) materials is an issue of concern among scientific researchers. This is because many solvents such as N, N-dimethylformamide and N-methyl-2-pyrrolidone that are capable of better dispersion of 2D materials are relatively toxic and nonvolatile. This work focused on the reasonable design and mixture of two or three less toxic and volatile solvents based on Hansen solubility parameters theory to demonstrate the excellent exfoliation of 2D materials particularly reduced graphene oxide (rGO) and black phosphorus (BP). Polyvinylpyrrolidone (PVP) was introduced as a surfactant to functionalize rGO to help improve its dispersion. Results showed that PVP could effectively functionalize graphene. Few layers of rGO and BP were facilely achieved with 2-3 nm thickness from the use of the designed solvent mixtures, indicating the accomplishment of solvent mixtures in exfoliation/dispersion roles instead of the use of other toxic and nonvolatile solvents.

A mouse model of pre-pregnancy maternal obesity combined with offspring exposure to a high-fat diet resulted in cognitive impairment in male offspring.

BACKGROUND: Cognitive impairment is a brain dysfunction characterized by neuropsychological deficits in attention, working memory, and executive function. Maternal obesity and consumption of a high-fat diet (HFD) in the offspring has been suggested to have detrimental consequences for offspring cognitive function through its effect on the hippocampus and prefrontal cortex. Therefore, our study aimed to investigate the effects of maternal obesity and offspring HFD exposure on the brain metabolome of the offspring. METHODS: In our pilot study, a LepRdb/+ mouse model was used to model pre-pregnancy maternal obesity and the c57bl/6 wildtype was used as a control group. Offspring were fed either a HFD or a low-fat control diet (LFD) after weaning (between 8 and 10 weeks). The Mirrors water maze was performed between 28 and 30 weeks to measure cognitive function. Fatty acid metabolomic profiles of the prefrontal cortex and hippocampus from the offspring at 30-32 weeks were analyzed using gas chromatography-mass spectrometry. RESULTS: The memory of male offspring from obese maternal mice, consuming a HFD post-weaning, was significantly impaired when compared to the control offspring mice. No significant differences were observed in female offspring. In male mice, the fatty acid metabolites in the prefrontal cortex were most affected by maternal obesity, whereas, the fatty acid metabolites in the hippocampus were most affected by the offspring's diet. Hexadecanoic acid and octadecanoic acid were significantly affected in both the hippocampus and pre-frontal cortex, as a result of maternal obesity and a HFD in the offspring. CONCLUSION: Our findings suggest that the combination of maternal obesity and HFD in the offspring can result in spatial cognitive deficiency in the male offspring, by influencing the fatty acid metabolite profiles in the prefrontal cortex and hippocampus. Further research is needed to validate the results of our pilot study.

SIP-Based Single Neuron Stochastic Predictive Control for Non-Gaussian Networked Control Systems with Uncertain Metrology Delays.

In this paper, a novel data-driven single neuron predictive control strategy is proposed for non-Gaussian networked control systems with metrology delays in the information theory framework. Firstly, survival information potential (SIP), instead of minimum entropy, is used to formulate the performance index to characterize the randomness of the considered systems, which is calculated by oversampling method. Then the minimum values can be computed by optimizing the SIP-based performance index. Finally, the proposed strategy, minimum entropy method and mean square error (MSE) are applied to a networked motor control system, and results demonstrated the effectiveness of the proposed strategy.

[Investigation on the oxidation behaviors and kinetics of sulfide by cryptomelane].

As one of the common manganese oxide minerals in supergene environment, cryptomelane affects the migration, transformation and environmental fate of sulfur in soil. In this work, oxidation process of sodium sulfide solution by cryptomelane was investigated without oxygen gas. The species and concentration of oxidation products of sulfide in solution were determined by spectrophotometry and ion chromatography, and the crystal structures and micro-morphologies of solid oxidation products of sulfide were characterized by XRD and SEM. The influence of solution temperature, pH value of solution, manganese average oxidation state (AOS) and the amount of added cryptomelane on the initial oxidation rate of S2- was studied. It was observed that the oxidation products of sulfide were S2O3(2-), SO3(2-), SO4(2-) and S, and S was the main one for that the total transformation rate of S2- to S2O3(2-), SO3(2-) and SO4(2-) was below 13.4%. The initial oxidation rate of S2- follows a pseudo-first-order law. Oxidation rate increased with elevating reaction temperature, decreasing pH value of solution and the increase of the amount of added mineral. The oxidation capacity of cryptomelane increased with the increase of Mn(III) content, and the initial oxidation rate constants (K(obs)) of S2- were 0.220 3 min(-1) and 0.1729 min(-1) when cryptomelane was applied with AOS about 3.81 and 3.98, respectively. During the redox process, cryptomelane was reduced to Mn(OH)2, which could be oxidized into Mn3O4, by O2 in air, and Mn3O4 was further transformed into MnOOH likely due to the reaction of surface-adsorbed water on manganese oxide and O2 and Mn3O4.