An explainable and supervised machine learning model for prediction of red blood cell transfusion in patients during hip fracture surgery.

Aim: The study aimed to develop a predictive model with machine learning (ML) algorithm, to predict and manage the need for red blood cell (RBC) transfusion during hip fracture surgery.

Methods: Data of 2785 cases that underwent hip fracture surgery from April 2016 to May 2022 were collected, covering demographics, medical history and comorbidities, type of surgery and preoperative laboratory results. The primary outcome was the intraoperative RBC transfusion.

Chemical Synthesis of ~1 nm Multilevel Capacitor-like Particles with Atomic Precision.

Can the chemically synthesized nanoparticles act as nanodevices or nanomachines? Herein, we demonstrated this feasibility. A novel nanocluster (ultrasmall nanoparticle) [AuCd(m-MBT)][N(CH)] (AuCd in short, m-MBTH: m-methylbenzenethiol) obtained via developing a synthesis method has a cannula-like structure of the outer shell and an internal sleeve, revealed by single-crystal X-ray diffraction. Natural population analysis (NPA) charge calculations, charge carrier transport of AuCd (during which an intra-nanocluster anti-galvanic reaction was observed) after unneutral charging using NaBH as well as voltammetry proved the capacitor-like character of AuCd.

Gapped and Rotated Grain Boundary Revealed in Ultra-Small Au Nanoparticles for Enhancing Electrochemical CO Reduction.

Although gapped grain boundaries have often been observed in bulk and nanosized materials, and their crucial roles in some physical and chemical processes have been confirmed, their acquisition at ultrasmall nanoscale presents a significant challenge. To date, they had not been reported in metal nanoparticles smaller than 2 nm owing to the difficulty in characterization and the high instability of grain boundary (GB) atoms. Herein, we have successfully developed a synthesis method for producing a novel chiral nanocluster Au(TBBT) (TBBT=4-tert-butylphenylthiolate) with a 26-atom gapped and rotated GB.

Analysis of chloroplast genome structure and phylogeny of the traditional medicinal of Ardisia crispa (Myrsinaceae).

Ardisia crispa(Myrsinaceae) is an ethnomedicine with horticultural and important medicinal values. Its morphology is complex, and its identification is difficult. We analyse the chloroplast genome characteristics and phylogenetic position of A.

Comprehensive identification of pathogenic variants in retinoblastoma by long- and short-read sequencing.

Retinoblastoma (RB) is the most common intraocular malignancy in childhood. The causal variants in RB are mostly characterized by previously used short-read sequencing (SRS) analysis, which has technical limitations in identifying structural variants (SVs) and phasing information. Long-read sequencing (LRS) technology has advantages over SRS in detecting SVs, phased genetic variants, and methylation.

 (Primulaceae), a new species from Hubei, Central China.

In this study, we describe and illustrate a new species, L.S.Yang, Z.

Concomitant Near-Infrared Photothermy and Photoluminescence of Rod-Shaped Au(PET) and Au(PET) Synthesized Concurrently.

Gold nanoclusters exhibiting concomitant photothermy (PT) and photoluminescence (PL) under near-infrared (NIR) light irradiation are rarely reported, and some fundamental issues remain unresolved for such materials. Herein, we concurrently synthesized two novel rod-shaped Au nanoclusters, Au(PET) and Au(PET) (PET = 2-phenylethanethiolate), and precisely revealed that their kernels were 4 × 4 × 6 and 5 × 4 × 6 face-centered cubic (fcc) structures, respectively, based on the numbers of Au layers in the [100], [010], and [001] directions. Following the structural growth mode from Au(PET) to Au(PET), we predicted six more novel nanoclusters.

Development of polymorphic microsatellite markers for distylous-homostylous Primula secundiflora (Primulaceae) using HiSeq sequencing.

Primula secundiflora is an insect-pollinated, perennial herb belonging to the section Proliferae (Primulaceae) that exhibits considerable variation in its mating system, with predominantly outcrossing populations comprising long-styled and short-styled floral morphs and selfing populations comprising only homostyles. To facilitate future investigations of the population genetics and mating patterns of this species, we developed 25 microsatellite markers from P. secundiflora using next-generation sequencing and measured polymorphism and genetic diversity in a sample of 30 individuals from three natural populations.

Bottom-Up Construction of Metal-Organic Framework Loricae on Metal Nanoclusters with Consecutive Single Nonmetal Atom Tuning for Tailored Catalysis.

The introduction of single or multiple heterometal atoms into metal nanoparticles is a well-known strategy for altering their structures (compositions) and properties. However, surface single nonmetal atom doping is challenging and rarely reported. For the first time, we have developed synthetic methods, realizing "surgery"-like, successive surface single nonmetal atom doping, replacement, and addition for ultrasmall metal nanoparticles (metal nanoclusters, NCs), and successfully synthesized and characterized three novel bcc metal NCs AuI(S-Adm), AuS(S-Adm), and AuIS(S-Adm) (S-Adm: 1-adamantanethiolate).

Validation of serum cystatin SN detection for diagnosis and poor prognosis of esophageal squamous cell carcinoma.

Background: The identification of effective tumor markers is of paramount importance for the early diagnosis, treatment, and prognosis of esophageal squamous cell carcinoma (ESCC). The present study endeavors to identify efficacious serological markers that can differentiate patients with early-stage ESCC from those with benign esophageal lesions and healthy controls (HC). Cystatin-SN (CST1), an active cysteine protease inhibitor belonging to the Cystatin (CST) superfamily, is implicated in the pathogenesis of inflammation and tumorigenesis.

Controlled Sequential Doping of Metal Nanocluster.

Atomically precise doping of metal nanoclusters provides excellent opportunities not only for subtly tailoring their properties but also for in-depth understanding of composition (structure)-property correlation of metal nanoclusters and has attracted increasing interest partly due to its significance for fundamental research and practical applications. Although single and multiple metal atom doping of metal nanoclusters (NCs) has been achieved, sequential single-to-multiple metal atom doping is still a big challenge and has not yet been reported. Herein, by introducing a second ligand, a novel multistep synthesis method was developed, controlled sequential single-to-multiple metal atom doping was successfully achieved for the first time, and three doped NCs AuCd(p-MBT)(PPh), AuCd(p-MBT)(PPh), and [AuCd(p-MBT)] (p-MBTH: -methylbenzenethiol) were obtained, including two novel NCs that were precisely characterized via mass spectrometry, single-crystal X-ray crystallography, and so forth.

Pd Nanocluster with Nonmetal-to-Metal- Ring Coordination and Promising Photothermal Conversion Efficiency.

Constructing ambient-stable, single-atom-layered metal-based materials with atomic precision and understanding their underlying stability mechanisms are challenging. Here, stable single-atom-layered nanoclusters of Pd were synthesized and precisely characterized through electrospray ionization mass spectrometry and single-crystal X-ray crystallography. A pseudo-pentalene-like Pd unit was found in the nanocluster, interacting with two syn PPh units through nonmetal-to-metal -ring coordination.

Coexistent, Competing Tunnelling, and Hopping Charge Transport in Compressed Metal Nanocluster Crystals.

Understanding charge transport among metal particles with sizes of approximately 1 nm poses a great challenge due to the ultrasmall nanosize, yet it holds great significance in the development of innovative materials as substitutes for traditional semiconductors, which are insulative and unstable in less than ∼10 nm thickness. Herein, atomically precise gold nanoclusters with well-defined compositions and structures were investigated to establish a mathematical relation between conductivity and interparticle distance. This was accomplished using high-pressure in situ resistance characterizations, synchrotron X-ray diffraction (XRD), and the Murnaghan equation of state.

Building Block Metal Nanocluster-Based Growth in 1D Direction.

Metal nanoclusters with precisely modulated structures at the nanoscale give us the opportunity to synthesize and investigate 1D nanomaterials at the atomic level. Herein, it realizes selective 1D growth of building block nanocluster "Au Cd " into three structurally different nanoclusters: "hand-in-hand" (Au Cd ) O, "head-to-head" Au , and "shoulder-to-shoulder" Au . Detailed studies further reveals the growth mechanism and the growth-related tunable properties.

A near-complete assembly of asparagus bean provides insights into anthocyanin accumulation in pods.

Asparagus bean (Vigna unguiculata ssp. sesquipedialis), a subspecies of V. unguiculata, is a vital legume crop widely cultivated in Asia for its tender pods consumed as vegetables.

Lattice Compression Revealed at the ≈1 nm Scale.

Lattice tuning at the ≈1 nm scale is fascinating and challenging; for instance, lattice compression at such a minuscule scale has not been observed. The lattice compression might also bring about some unusual properties, which waits to be verified. Through ligand induction, we herein achieve the lattice compression in a ≈1 nm gold nanocluster for the first time, as detected by the single-crystal X-ray crystallography.

Corrigendum: OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources.

[This corrects the article DOI: 10.3389/fchem.2023.

OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources.

We have proposed, for the first time, an OpenCL implementation for the all-electron density-functional perturbation theory (DFPT) calculations in FHI-aims, which can effectively compute all its time-consuming simulation stages, i.e., the real-space integration of the response density, the Poisson solver for the calculation of the electrostatic potential, and the response Hamiltonian matrix, by utilizing various heterogeneous accelerators.

Rediscovery of (Primulaceae), a rare species endemic to Gaoligong Mountain of Chinese-Burma frontier.

The rare W.W.Sm.

 (Primulaceae), a new species in sect. subsect. from Yunnan, China.

Z.K.Wu, W.