Machine Learning Guided Assembly of a Nested Gd@Gd @Ni Cluster via Urea Controlled Carbonate Release.

Lanthanide-based polyhedral clusters are of great interest due to their unique geometries and functional properties, but their controlled synthesis remains a major challenge. Here, we report a nested three-shell cluster, [GdNi(MeIDA)(OH)(CO) (HO)]·(ClO)·(HO) (GdNi, HMeIDA = N-Methyliminodiacetic acid), achieved by using urea as a slow-release carbonate source to direct the formation of a dodecahedral inner shell. Single-crystal X-ray diffraction reveals a unique Gd@Gd@Ni arrangement, with the innermost Gd forming a Platonic dodecahedron templated by carbonate.

Strong and Switchable Magneto-Optical Effect in Air-Stable Chiral Dy Complexes with Magnetic Anisotropy.

Assembling chiral and magnetic units at a molecular level is a key to achieving a strong magneto-optical (MO) effect, especially for lanthanide complexes with a specific 4 electronic configuration. However, the - transitions are generally restricted by selection rules, making the observation of the MO response extremely challenging. Herein, we reported the synthesis of two highly air-stable chiral Dy complexes and , with a pair of tailored chelating chiral ligands.

Effectiveness of antibiotic-impregnated bone cement in treating postoperative infections after femoral shaft fracture treatment with intramedullary nailing.

Postoperative infections are a significant challenge in orthopedic surgeries, particularly after procedures involving femoral shaft fractures treated with intramedullary nailing. Antibiotic-impregnated bone cement (AIBC) offers a promising solution by providing targeted antimicrobial delivery to the surgical site, potentially enhancing infection control and bone healing. A retrospective analysis was conducted from January 2020 to January 2023, involving 40 patients who developed postoperative infections after femoral shaft fracture treatment with intramedullary nailing.

-mediated endoplasmic reticulum associated degradation inhibition suppresses proliferation and migration in Huh7 hepatocellular carcinoma cells.

Background: Proteins play a central role in regulating biological functions, and various pathways regulate their synthesis and secretion. Endoplasmic reticulum-associated protein degradation (ERAD) is crucial for monitoring protein synthesis and processing unfolded or misfolded proteins in actively growing tumor cells. However, the role of the multiple ERAD complexes in liver cancer remains unclear.

Effects of different crushing methods on the properties and flavor of selenium-enriched sweet potato leaves.

In this study, the physical, chemical, structural, and antioxidant characteristics of selenium (Se)-enriched sweet potato leaves (SSPL) powder produced through shear breaking and superfine grinding were examined. The superfine grinding SSPL powder had a brighter color, smaller particle size, and spherical shape. The superfine grinding SSPL powder showed improved dispersibility and solubility but reduced liquidity.

CPconf_score: A Deep Learning Free Energy Function Trained Using Molecular Dynamics Data for Cyclic Peptides.

Accurate structural feature characterization of cyclic peptides (CPs), especially those with less than 10 residues and -peptide bonds, is challenging but important for the rational design of bioactive peptides. In this study, we performed high-temperature molecular dynamics (high-T MD) simulations on 250 CPs with random sequences and applied the point-adaptive k-nearest neighbors (PAk) method to estimate the free energies of millions of sampled conformations. Using this data set, we trained a SchNet-based deep learning model, termed CPconf_score, to predict the conformational free energies of CPs.

Far-UVC direct photolysis of iohexol and acetochlor: an experimental and mechanism study.

Recently, the emission of 222 nm Far-UVC krypton chloride (KrCl*) excimer lamps, has gained widespread attention in the field of water treatment. This study compared the degradation kinetics of IOX and ACE under UV and UV irradiation. The results demonstrated that UV irradiation exhibited higher efficiency, increasing the removal rates of IOX and ACE from 72.

Strong NIR-II Magneto-Optical Activity of a Chiral SmCu Cage.

The magneto-optical response of chiral materials holds significant potential for applications in physics, chemistry, and biology. However, exploration of the near-infrared (NIR) magneto-optical response remains limited. Herein, we report the synthesis and strong NIR-II magneto-optical activity of three pairs of chiral 34 clusters of (Ln = Sm, Gd, and Dy).

Promotive effect of skin precursor-derived Schwann cells on brachial plexus neurotomy and motor neuron damage repair through milieu-regulating secretome.

Brachial plexus injury (BPI) with motor neurons (MNs) damage still remain poor recovery in preclinical research and clinical therapy, while cell-based therapy approaches emerged as novel strategies. Previous work of rat skin precursor-derived Schwann cells (SKP-SCs) provided substantial foundation for repairing peripheral nerve injury (PNI). Given that, our present work focused on exploring the repair efficacy and possible mechanisms of SKP-SCs implantation on rat BPI combined with neurorrhaphy post-neurotomy.

Tuning Electrocatalytic Water Oxidation Activity: Insights from the Active-Site Distance in LnCu Clusters.

Atomically precise metal clusters serve as a unique model for unraveling the intricate mechanism of the catalytic reaction and exploring the complex relationship between structure and activity. Herein, three series of water-soluble heterometallic clusters LnCu, abbreviated as LnCu-AC (Ln = La, Nd, Gd, Er, Yb; HAC = acetic acid), LnCu-IM (Ln = La and Nd; IM = Imidazole), and LnCu-IDA (Ln = Nd; HIDA = Iminodiacetic acid) are presented, each featuring a uniform metallic core stabilized by distinct protected ligands. Crystal structure analysis reveals a triangular prism topology formed by six Cu ions around one Ln ion in LnCu, with variations in Cu···Cu distances attributed to different ligands.

Soluble GdCu clusters: effective molecular electrocatalysts for water oxidation.

The water oxidation half reaction in water splitting for hydrogen production is extremely rate-limiting. This study reports the synthesis of two heterometallic clusters (GdCu-IM and GdCu-AC) for application as efficient water oxidation catalysts. Interestingly, the maximum turnover frequency of GdCu-IM in an NaAc solution of a weak acid (pH 6) was 319 s.

deficiency impairs HSPC homeostasis and erythropoiesis via and predicts poor prognosis in MDS.

Myelodysplastic syndrome (MDS) is a group of clonal hematopoietic neoplasms originating from hematopoietic stem progenitor cells (HSPCs). We previously identified frequent roundabout guidance receptor 1 () mutations in patients with MDS, while the exact role of in hematopoiesis remains poorly delineated. Here, we report that deficiency confers MDS-like disease with anemia and multilineage dysplasia in mice and predicts poor prognosis in patients with MDS.

The bcl6 corepressor mutation regulates the progression and transformation of myelodysplastic syndromes by repressing the autophagy flux.

The occurrence of autophagy dysregulation is vital in the development of myelodysplastic syndrome and its transformation to acute myeloid leukemia. However, the mechanisms are largely unknown. Here, we have investigated the mechanism of the bcl6 corepressor mutation in myelodysplastic syndrome development and its transformation to acute myeloid leukemia.

Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.

4-Hydroxyphenylpyruvate dioxygenase (HPPD) has attracted increasing attention as a target for treating type I tyrosinemia and other diseases with defects in tyrosine catabolism. Only one commercial drug, 2-(2-nitro-4-trifluoromethylbenzoyl)-1, 3-cyclohexanedione (NTBC), clinically treat type I tyrosinemia, but show some severe side effects in clinical application. Here, we determined the structure of human HPPD-NTBC complex, and developed new pyrazole-benzothiadiazole 2,2-dioxide hybrids from the binding of NTBC.

Fascia- vessel-oriented lateral lymph node dissection for rectal cancer: Short-term outcomes and prognosis in a single-center experience.

Background: For the management of lateral lymph node (LLN) metastasis in patients with rectal cancer, selective LLN dissection (LLND) is gradually being accepted by Chinese scholars. Theoretically, fascia-oriented LLND allows radical tumor resection and protects of organ function. However, there is a lack of studies comparing the efficacy of fascia-oriented and traditional vessel-oriented LLND.

Molecular cloning, prokaryotic expression and its application potential evaluation of interferon (IFN)-ω of forest musk deer.

Forest musk deer (Moschus berezovskii) are currently a threatened species under conservation, and the development of captive populations is restricted by health problems. To evaluate the application potential of interferon (IFN)-ω in the prevention and control of forest musk deer disease, 5 forest musk deer IFN-ω (fmdIFNω) gene sequences were successfully obtained by homologous cloning method for the first time. FmdIFNω5 was selected and recombinant fmdIFNω protein (rIFNω) was successfully expressed by pGEX-6P-1 plasmid and E.

Comprehensive Multi-Spectroscopy and Molecular Docking Understanding of Interactions between Fermentation-Stinky Compounds and Mandarin Fish Myofibrillar Proteins.

The release of flavor compounds is a critical factor that influences the quality of fermented foods. A recent study investigated the interactions between four fermentation-stinky compounds (indole, isovaleric acid, dimethyl disulfide, and dibutyl phthalate) and myofibrillar proteins (MPs). The results indicated that all four fermentation-stinky compounds had different degrees of binding to MPs, with dibutyl phthalate and dimethyl disulfide exhibiting stronger interactions.

Analysis of Lipid Molecule Profiling and Conversion Pathway in Mandarin Fish () during Fermentation via Untargeted Lipidomics.

Lipids are the key aroma contributors and nutrients in fermented fish products. A total of 376 lipid molecules were identified in mandarin fish during fermentation by untargeted lipidomics, including glycerolipids, glycerophospholipids, lysoglycerophospholipid, sphingolipids, fatty acids (FAs), and sterol lipids. Both lipid composition and content changed dynamically during fermentation.

Integrated volatolomics and metabolomics analysis reveals the characteristic flavor formation in Chouguiyu, a traditional fermented mandarin fish of China.

Volatolomics and metabolomics were performed to explore the generation mechanism of the characteristic flavor of mandarin fish during fermentation. This study revealed a novel finding that umami-tasting amino acids, succinic acid, and peptides increased, while taste-presenting nucleotides decreased after fermentation. The results showed that 19 key aroma compounds were identified.

Pouring hot water through drip bags releases thousands of microplastics into coffee.

Microplastics (MPs) released from food packaging have attracted widespread attention. In this study, drip bags made from polyethylene (PE), polypropylene (PP), polyester (PET), and rayon selected from eight brands were employed to investigate MPs releasing. Fourier-transform infrared microspectroscopy (μ-FTIR), optical microscope and scanning electron microscope (SEM) were used to study the effects of brewing time and temperature on the release of MPs.

Effects of spray drying and freeze drying on the structure and emulsifying properties of yam soluble protein: A study by experiment and molecular dynamics simulation.

This study focused on the effects of freeze drying (FD) and sprays drying (SD) on the structure and emulsifying properties of yam soluble protein (YSP). The results showed that the surface hydrophobicity (Ho) value, free sulfhydryl group (SH) content, turns content, denaturation temperature and enthalpy value of spray-dried YSP (SD-YSP) were higher than freeze-dried YSP (FD-YSP), but the apparent hydrodynamic diameter (Dh) value of SD-YSP was smaller. The smaller Dh, higher Ho and free SH led to higher percentage of adsorbed proteins and stronger binding between protein and oil droplet in emulsions.