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Background and AimOver 10% of hepatocellular carcinoma (HCC) cases recur each year, even after surgical resection. Currently, there is a lack of knowledge about the causes of recurrence and the effective prevention. Prediction of HCC recurrence requires diagnostic markers endowed with high sensitivity and specificity. This study aims to identify new key proteins for HCC recurrence and to build machine learning algorithms for predicting HCC recurrence.MethodsThe proteomics data for analysis in this study were obtained from the Clinical Proteomics Tumor Analysis Consortium (CPTAC) database. We analyzed different proteins based on cases with or without recurrence of HCC. Survival analysis, Cox regression analysis, and area under the ROC curves (AUROC > 0.7) were used to screen for more significant differential proteins. Predictive models for HCC recurrence were developed using four machine learning algorithms.ResultsA total of 690 differentially expressed proteins between 50 relapsed and 77 non-relapsed hepatitis B-related HCC patients were identified. Seven of these proteins had an AUROC > 0.7 for 5-year survival in HCC, including BAHCC1, ESF1, RAP1GAP, RUFY1, SCAMP3, STK3, and TMEM230. Among the machine learning algorithms, the random forest algorithm showed the highest AUROC values (AUROC: 0.991, 95% CI 0.962–0.999) for identifying HCC recurrence, followed by the support vector machine (AUROC: 0.893, 95% Cl 0.824–0.956), the logistic regression (AUROC: 0.774, 95% Cl 0.672–0.868), and the multi-layer perceptron algorithm (AUROC: 0.571, 95% Cl 0.459–0.682).ConclusionsOur study identifies seven novel proteins for predicting HCC recurrence and the random forest algorithm as the most suitable predictive model for HCC recurrence.

Li(Ni0.8Co0.15Al0.05)O2 (NCA) cathode material for lithium ion batteries is synthesized by calcining Ni–Co–Al hydroxide or carbonate hydroxide hydrate precursor, which is obtained by hydrothermal method, and the NCA cathode material is hierarchical hollow microspheres with the diameter in the range of 3–5 µm and composed of nanoflakes and/or nanowires. The effect of hydrothermal reaction time on the morphologies and the crystalline quality of the NCA cathode material is investigated on the basis of scanning electron microscopy, X-ray diffraction, and tunneling electron microscopy. The NCA cathode material shows smooth and monotonous charge/discharge characteristics, delivers a reversible capacity as 144.4 mAh/g and retains 90.4% after 50 cycles at a current density of 0.1 C between 2.5 and 4.3 V.

Anaplastic thyroid carcinoma (ATC) is a rare, highly aggressive neoplasm, characterized by complete or partial composition by undifferentiated cells. We report a case of ATC with rhabdoid features in a 68-year-old male, who presented with a rapidly enlarging neck mass. Fine-needle aspiration (FNA) of the thyroid mass showed discohesive, pleomorphic round to polygonal rhabdoid cells with one to multiple eccentric, large, rounded nuclei with a prominent nucleolus, moderate to abundant, globoid cytoplasm which oftentimes harbor a pale para-nuclear inclusion. The cytoplasm of some cells contained variously sized, eosinophilic granules. Rare cells contained neutrophils in their cytoplasm. Mitoses including atypical mitotic figures and necrosis were readily seen. Histologic examination of needle core biopsy (NCB) revealed individual dispersed and sheets of pleomorphic neoplastic cells with similar cytomorphologic features as described above. The tumor extensively infiltrated a myxocollagenous stroma containing lymphocytes and neutrophils, and demonstrated foci of necrosis. Tumor cells were immunoreactive for keratins AE1/AE3, CAM5.2, and CK19; PAX-8, and p63, but negative for S-100, HMB-45, calcitonin, TTF-1, thyroglobulin, CD56, HBME-1, glypican-3, PAX-5, myogenin, CD31, and INI-1. The differential diagnosis of this malignant rhabdoid tumor is discussed.

A new dinuclear cobalt(II) complex [Co(2)L(2)Cl(2)(CH(3)OH)(2)] (1), where HL = 3-[(furan-2-ylmethylimino) methyl]-2-hydroxy-5-methylbenzaldehyde, derived from the in situ condensation of 2,6-diformyl- 4-methylphenol with furfurylamine, was prepared and structurally and magnetically characterized. Single crystal X-ray structural determination reveals that the structure consists of centrosymmetric dinuclear units with each Co(II) ion in a slightly distorted octahedral environment. Lines' model, which in principle can theoretically separate in spin-only and orbital contribution, was used to fit the variable temperature susceptibility (2-300 K), suggesting an intramolecular antiferromagnetic interaction between the cobalt(II) ions.

The study of paramagnetic metal-ion aggregates has been of increasing interest in the last three decades or so, mainly stimulated by rapid development of molecular magnetism. An area of particular interest is the investigation of single molecule magnets (SMMs) for which slow relaxation and quantum tunnelling of the magnetization is purely of molecular origin. This has led to intense activity to be able to consistently manufacture molecular structures with a finite number of interacting magnetic centres suitable for detailed magnetic study. Indeed, since the discovery in the early 1990s of the first single molecule magnet, Mn12 acetate, [2,3] a large number of compounds displaying these magnetic properties have been reported. Most of them, especially in the early years, contain only 3d ions. However, despite the large number of new molecules, no significant increase has been achieved in the blocking temperature. Recently, particular emphasis has been placed on the design of new single molecule magnets either incorporating, or made exclusively from 4f metal ions given that lanthanide ions can produce fascinating magnetic behaviour, not only through their potential to contribute high spins, but also to introduce anisotropy to a molecule as a result of the nature of the felectron shell. This magnetic anisotropy is the major component to observe the slow relaxation of the magnetization and gives the complexes by essentially different mechanism from that of the well-established 3d-based SMMs. Compared to the 3d metal SMMs, far fewer pure 4f metal SMMs have been reported. A peculiar triangular Dy cluster has attracted much interest, owing to the unusual slow relaxation behaviour in spite of the almost non-magnetic ground state. This intriguing behaviour originates from the non-collinearity of the single ion easy axes of magnetization of the Dy ions, as demonstrated by single crystal magnetic studies, as well as ab initio calculations. This peculiar chiral nature of the ground non-magnetic doublet and the resonant quantum tunnelling of the magnetization at the crossings of the discrete energy levels opens new perspectives in quantum computation and data storage in molecular nanomagnets, and thus can stimulate further investigation towards utilizing this highly anisotropic Dy3 triangle for creating novel SMMs with large blocking temperatures. We present here the constructing of Dy10 cluster of formula [Dy10ACHTUNGTRENNUNG(m3-OH)4 ACHTUNGTRENNUNG(OAc)20 ACHTUNGTRENNUNG(H2L)2ACHTUNGTRENNUNG(H3L)2ACHTUNGTRENNUNG{NH2C ACHTUNGTRENNUNG(CH2OH)3}2] with four fused Dy3 triangles by using polydentate Schiff base 2-[{(2-hydroxy-3-methoxyphenyl)methylene}amino]-2(hydroxymethyl)-1,3-propanediol (H4L). This potentially hexadentate ligand combines a tripodal group and a Schiff base group, and has previously been successfully employed to prepare 3d and 3d-4f polynuclear clusters. The reaction of dysprosium acetate with H4L in the mixture of methanol and acetonitrile in 1:4 ratio produces the Dy10 cluster of formula [Dy10ACHTUNGTRENNUNG(m3-OH)4ACHTUNGTRENNUNG(OAc)20ACHTUNGTRENNUNG(H2L)2ACHTUNGTRENNUNG(H3L)2ACHTUNGTRENNUNG{NH2C ACHTUNGTRENNUNG(CH2OH)3}2] (1), whose molecular structure determined by single-crystal X-ray diffraction is depicted in Figure 1. This neutral molecule contains four m3-OH capped triangles held together by acetate groups. Two Dy triangles are fused in a vertex-sharing fashion forming a {Dy5ACHTUNGTRENNUNG(m3OH)2} 13+ subcore. The single m3-OH capped triangle in 1 is less equilateral than that of the previously reported double m3-OH capped triangles, [12] with Dy···Dy distances 3.753, 3.788 and 3.882 for triangle A (Dy1Dy2Dy3) and 3.623, 3.870 and 3.935 for triangle B (Dy3Dy4Dy5) respectively. The dihedral angle between the two triangles A and B is 81.418. Two {Dy5 ACHTUNGTRENNUNG(m3-OH)2}13+ subcores are further linked through double acetate bridges into the Dy10 core, which is further encapsulated by four Schiff bases and two tris(hy[a] H. Ke, Dr. G.-F. Xu, Dr. L. Zhao, Prof. Dr. J. Tang, Prof. Dr. H.-J. Zhang State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied Chemistry Chinese Academy of Sciences Renmin Street 5625, Changchun 130022 (P.R. China) Fax: (+86)431-85262878 E-mail : tang@ciac.jl.cn hongjie@ciac.jl.cn [b] H. Ke, X.-Y. Zhang School of Material Science and Engineering Changchun University of Science and Technology Changchun 130022 (P.R. China)

A one-pot method for the synthesis of the title compounds is also presented [reaction of (V)].

A novel approach to construct diverse enantioenriched tricyclic heterocycles is developed using a hitherto not described asymmetric, organocatalytic allylic substitution/Diels—Alder cascade sequence.

This new title reaction provides an easy and facile access to a wide range of different functionalized quinoline and isoquinoline derivatives from readily available starting materials under mild conditions.

Over the past decade, lanthanide compounds have become of increasing interest in the field of Single Molecule Magnets (SMMs) due to the large inherent anisotropy of the metal ions. Heavy lanthanide metal systems, in particular those containing the dysprosium(III) ion, have been extensively employed to direct the formation of a series of SMMs. Although remarkable progress is being made regarding the synthesis and characterization of lanthanide-based SMMs, the understanding and control of the relaxation dynamics of strongly anisotropic systems represents a formidable challenge, since the dynamic behaviour of lanthanide-based SMMs is significantly more complex than that of transition metal systems. This perspective paper describes illustrative examples of pure dysprosium(III)-based SMMs, published during the past three years, showing new and fascinating phenomena in terms of magnetic relaxation, aiming at shedding light on the features relevant to modulating relaxation dynamics of polynuclear lanthanide SMMs.