In-depth theoretical analysis of the influence of an external electric field on charge transport parameters.

It is important to develop materials with environmental stability and long device shelf life for use in organic field-effect transistors (OFETs). The microscopic, molecular-level nature of the organic layer in OFETs is not yet well understood. The stability of geometric and electronic structures and the regulation of the external electric field (EEF) on the charge transport properties of four typical homogeneous organic semiconductors (OSCs) were investigated by density functional theory (DFT). The results showed that under the EEF, the structural changes in single-bond linked oligomers were more sensitive and complex than those of condensed molecules, and there were non-monotonic changes in their reorganization energy (λ) during charge transport under an EEF consisting of decreases and then increases (Series D). The change in λ under an EEF can be preliminarily and qualitatively determined by the change in the frontier molecular orbitals (FMOs) - the number of C-atoms with nonbonding characteristics. For single-bonded molecules, the transfer integral is basically unchanged under a low EEF, but it will greatly change at a high EEF. Because the structure and properties of the molecule will greatly change under different EEFs, the effect of an EEF should be fully considered when determining the intrinsic mobility of OSCs, which could cause a deviation 0.3-20 times in mobility. According to detailed calculations, one heterogeneous oligomer, TH-BTz, was designed. Its λ can be greatly reduced under an EEF, and the change in the energy level of FMOs can be adjusted to different degrees. This study provides a reasonable idea for verification of the experimental mobility value and also provides guidance for the directional design of stable high-mobility OSCs.

Theoretical insight on the charge transport properties: The formation of "head-to-tail" and "head-to-head" stacking of asymmetric aryl anthracene derivatives.

Organic semiconductors (OSCs) are widely used in flexible display, renewable energy, and biosensors, owing to their unique solid-state physical and optoelectronic properties. Among the abundant crystal library of OSCs, asymmetric aryl anthracene derivatives have irreplaceable advantages due to the interplay between their distinct π-conjugated geometry and molecular stacking as well as efficient light emission and charge transport properties that can be simultaneously utilized. However, the poor crystal stacking patterns of most asymmetric molecules limit their utility as excellent OSCs. Thus, it is crucial to clarify the structural features that enable the extremely ordered stacking and favorable electronic structure of asymmetric anthracene derivatives to become high-performance OSCs. This contribution investigates the charge transport properties of a series of asymmetric aryl anthracene derivatives to reveal the modulation factors of the molecular stacking modes and to explore the structural factors, which are beneficial to charge transport. The analysis demonstrated that the vinyl-linker facilitated the injection of hole carriers, and the alkynyl-linker effectively reduces the reorganization energy. Importantly, the linear polarizability and permanent dipole moment of a single molecule play a vital regulation to molecular stacking modes and the transfer integral of the dimer. The "head-to-head stacking" motif shows a compact stacking pattern and the maximum 2D anisotropic mobility more than 10 cm2 V-1 s-1. These findings sharpen our understanding of the charge transport properties in asymmetric organic semiconductors and are essential for developing a diverse range of high-performance OSC materials.

Observation of a massive phason in a charge-density-wave insulator.

The lowest-lying fundamental excitation of an incommensurate charge-density-wave material is believed to be a massless phason-a collective modulation of the phase of the charge-density-wave order parameter. However, long-range Coulomb interactions should push the phason energy up to the plasma energy of the charge-density-wave condensate, resulting in a massive phason and fully gapped spectrum1. Using time-domain terahertz emission spectroscopy, we investigate this issue in (TaSe4)2I, a quasi-one-dimensional charge-density-wave insulator. On transient photoexcitation at low temperatures, we find the material strikingly emits coherent, narrowband terahertz radiation. The frequency, polarization and temperature dependences of the emitted radiation imply the existence of a phason that acquires mass by coupling to long-range Coulomb interactions. Our observations underscore the role of long-range interactions in determining the nature of collective excitations in materials with modulated charge or spin order.

Theoretical study of the tuning role of ß-methylthio or ß-methylselenyl on the charge-transport properties of acenedithiophenes derivatives.

To date, the manipulation of intermolecular nonconjugation interactions in organic crystals is still a great challenge due to the complexity of weak intermolecular interactions. Here we designed molecules substituted by ß-methylselenyl on naphtho[1,2-b:5,6-b']dithiophene and anthra[2,3-b:6,7-b']dithiophene, respectively (anti-ß-MS-NDT, anti-ß-MS-ADT), which together with anti-ß-MS-BDT synthesized experimentally all exhibited 2D brickwork π-stacking. Moreover, their maximum molecular carrier mobilities reached 3.30 and 16.46 cm2 V-1 s-1. These results indicated that the substitution of ß-methylselenyl could be a strategy to directionally adjust the parent herringbone stacking into 2D brickwork π-stacking. Hirshfeld surface analysis and symmetry-adapted perturbation theory (SAPT) were used to investigate the nonconjugated interactions in the pitched π-stacking formed by the ß-methylthio-substituted acenedithiophene derivatives and the 2D brickwork π-stacking of the ß-methylselenyl-substituted ones; wherein, the steric hindrance caused by the introduction of the substituents promoted Csp2-Csp2⋯π interactions to replace Csp2-H⋯π to stabilize the face-to-face stacking. Moreover, by calculating the decomposition energy of the intermediate state model of the molecular stacking mode that may exist in the replacement conversion process, it was found that the energy of this intermediate state was larger than that of the actual ones, finally confirming the inevitability of the actual existence in this stacking. In addition, because of the reduction in intensity of the special vibration modes, it could be found that the ß-methylselenyl substitution showed better phonon assistance than ß-methylthio substitution in terms of dynamic disorder. This study is a further step toward fully understanding the relationship between intermolecular interactions and regulation of the molecular stacking.

Higher rank chirality and non-Hermitian skin effect in a topolectrical circuit.

While chirality imbalances are forbidden in conventional lattice systems, non-Hermiticity can effectively avoid the chiral-doubling theorem to facilitate 1D chiral dynamics. Indeed, such systems support unbalanced unidirectional flows that can lead to the localization of an extensive number of states at the boundary, known as the non-Hermitian skin effect (NHSE). Recently, a generalized (rank-2) chirality describing a 2D robust gapless mode with dispersion ω = kxky has been introduced in crystalline systems. Here we demonstrate that rank-2 chirality imbalances can be established in a non-Hermitian (NH) lattice system leading to momentum-resolved chiral dynamics, and a rank-2 NHSE where there are both edge- and corner-localized skin modes. We then experimentally test this phenomenology in a 2-dimensional topolectric circuit that implements a NH Hamiltonian with a long-lived rank-2 chiral mode. Using impedance measurements, we confirm the rank-2 NHSE in this system, and its manifestation in the predicted skin modes and a highly unusual momentum-position locking response. Our investigation demonstrates a circuit-based path to exploring higher-rank chiral physics, with potential applications in systems where momentum resolution is necessary, e.g., in beamformers and non-reciprocal devices.

Effect of Guizhi Fuling Capsule on Apoptosis of Myeloma Cells Through Mitochondrial Apoptosis Pathway.

OBJECTIVE: To observe the effects of Guizhi Fuling Capsule (GZFLC) on myeloma cells and explore the mechanisms. METHODS: MM1S and RPMI 8226 cells were co-cultured with different concentrations of serum and the cell experiments were divided into negative (10%, 20% and 40%) groups, GZFLC (10%, 20%, and 40%) groups and a control group. Cell counting kit-8 (CCK-8) assays and flow cytometry were used to detect the viability and apoptosis levels of myeloma cells. The effects on mitochondria were examined by reactive oxygen specie (ROS) and tetrechloro-tetraethylbenzimidazol carbocyanine iodide (JC-1) assays. Western blot was used to detect the expression of B cell lymphoma-2 (Bcl-2), Bcl-2-associated X (Bax), cleaved caspase-3, -9, cytochrome C (Cytc) and apoptotic protease-activating factor 1 (Apaf-1). RPMI 8226 cells (2 × 107) were subcutaneously inoculated into 48 nude mice to study the in vivo antitumor effects of GZFLC. The mice were randomly divided into four groups using a completely randomized design, the high-, medium-, or low-dose GZFLC (840, 420, or 210 mg/kg per day, respectively) or an equal volume of distilled water, administered daily for 15 days. The tumor volume changes in and survival times of the mice in the GZFLC-administered groups and a control group were observed. Cytc and Apaf-1 expression levels were detected by immunohistochemistry. RESULTS: GZFLC drug serum decreased the viability and increased the apoptosis of myeloam cells (P<0.05). In addition, this drug increased the ROS levels and decreased the mitochondrial membrane potential (P<0.01). Western blot showed that the Bcl-2/Bax ratios were decreased in the GZFLC drug serum-treated groups, whereas the expression levels of cleaved caspase-3, -9, Cytc and Apaf-1 were increased (all P<0.01). Over time, the myeloma tumor volumes of the mice in the GZFLC-administered groups decreased, and survival time of the mice in the GZFLC-administered groups were longer than that of the mice in the control group. Immunohistochemical analysis of tumor tissues from the mice in the GZFLC-administered groups revealed that the Cytc and Apaf-1 expression levels were increased (P<0.05). CONCLUSION: GZFLC promoted apoptosis of myeloma cells through the mitochondrial apoptosis pathway and significantly reduced the tumor volumes in mice with myeloma, which prolonged the survival times of the mice.

Significant Biomarkers Identification Associated with Cutaneous Squamous Cell Carcinoma Progression.

Background: This study aimed to identify significant genes associated with cutaneous squamous cell carcinoma (CSCC) initiation and development. Methods: The overlapped differential expressed genes (DEGs) between normal and CSCC samples were firstly screened out, followed by KEGG analysis. The top 10 hub genes were then detected from the whole protein-protein interaction (PPI) network. Further, important biomarkers continuously associated with actinic keratosis (AK), CSCC, and CSCC invasion was successively filtrated. GSEA analysis was finally performed to reveal potential mechanisms associated with biomarkers. Results: A total of 179 DEGs were identified, which were enriched in pathways in cancer, PI3K-Akt signaling pathway, and human papillomavirus infection. The 10 hub genes were firstly identified from the PPI network, and they were all highly expressed in AK tissues compared with normal tissues. Next, we found that 6 genes were overexpressed in CSCC compared with AK tissues. Further, we identified that the expression of 2 genes (MYBL2 and TK1) was higher in CSCC invasion groups compared with samples without invasion. Through a series of filtrations, we confirmed that MYBL2 and TK1 were the most significant biomarkers associated with CSCC initiation and progression. The pan-cancer analysis further supported their prognostic value in human cancers. GSEA analysis found that they positively correlated with N glycan biosynthesis and p53 signaling pathways. Conclusion: MYBL2 and TK1 were proved to play a vital role in CSCC tumorigenesis and progression, which may act as promising biomarkers or therapeutic targets for accurate diagnosis and treatment of CSCC.

Dedifferentiated Central Chondrosarcoma: A Clinical, Histopathological, and Immunohistochemical Analysis of 57 Cases.

Dedifferentiated central chondrosarcoma (DCCS) is a rare cartilage tumor with invasive biological behavior and a poor prognosis. To better understand the morphological characteristics of this type of tumor and its internal mechanism of dedifferentiation, we retrospectively analyzed 57 cases of DCCS. A total of 29 female and 28 male patients were included, ranging in age from 20 to 76 years, with a median age of 54 years. Fifty-seven cases of DCCS occurred in the pelvis (n = 29), femur (n = 17), scapula (n = 4), tibia (n = 2), humerus (n = 2), metatarsals (n = 1), fibula (n = 1), and radius (n = 1). Radiologically, DCCS had two different appearances on imaging, with an area showing calcifications of the cartilage forming the tumor juxtaposed to a lytic area with a highly aggressive, non-cartilaginous component. Histopathologically, the distinctive morphological features consisted of two kinds of defined components: a well-differentiated cartilaginous tumor and non-cartilaginous sarcoma. The cartilaginous components included grade 1 (n = 38; 66.7%) and grade 2 (n = 19; 33.3%) cartilage. The sarcoma components included those of osteosarcoma (n = 29; 50.9%), undifferentiated pleomorphic sarcoma (n = 20; 35.1%), rhabdomyosarcoma (n = 3; 5.2%), fibrosarcoma (n = 2; 3.5%), spindle cell sarcoma (n = 2; 3.5%) and angiosarcoma (n = 1; 1.8%). Immunohistochemistry showed that the expression of p53 and RB in the sarcoma components was significantly higher than that in the cartilaginous components, suggesting that these factors play roles in the dedifferentiation process of chondrosarcoma. DCCS is a highly malignant tumor with a poor prognosis. Except for the patients who were lost to follow-up, most of our patients died.

Geometric Response and Disclination-Induced Skin Effects in Non-Hermitian Systems.

We study the geometric response of three-dimensional non-Hermitian crystalline systems with nontrivial point-gap topology. For systems with fourfold rotation symmetry, we show that in the presence of disclination lines with a total Frank angle, which is an integer multiple of 2π, there can be nontrivial one-dimensional point-gap topology along the direction of the disclination lines. This results in disclination-induced non-Hermitian skin effects. By doubling a non-Hermitian Hamiltonian to a Hermitian three-dimensional chiral topological insulator, we show that the disclination-induced skin modes are zero modes of the effective surface Dirac fermion(s) in the presence of a pseudomagnetic flux induced by disclinations. Furthermore, we find that our results have a field theoretic description, and the corresponding geometric response actions (e.g., the Euclidean Wen-Zee action) enrich the topological field theory of non-Hermitian systems.

Update on the Role of Neuropeptide Y and Other Related Factors in Breast Cancer and Osteoporosis.

Breast cancer and osteoporosis are common diseases that affect the survival and quality of life in postmenopausal women. Women with breast cancer are more likely to develop osteoporosis than women without breast cancer due to certain factors that can affect both diseases simultaneously. For instance, estrogen and the receptor activator of nuclear factor-κB ligand (RANKL) play important roles in the occurrence and development of these two diseases. Moreover, chemotherapy and hormone therapy administered to breast cancer patients also increase the incidence of osteoporosis, and in recent years, neuropeptide Y (NPY) has also been found to impact breast cancer and osteoporosis.Y1 and Y5 receptors are highly expressed in breast cancer, and Y1 and Y2 receptors affect osteogenic response, thus potentially highlighting a potential new direction for treatment strategies. In this paper, the relationship between breast cancer and osteoporosis, the influence of NPY on both diseases, and the recent progress in the research and treatment of these diseases are reviewed.

Quantum Entanglement and Modulation Enhancement of Free-Electron-Bound-Electron Interaction.

The modulation and engineering of the free-electron wave function bring new ingredients to the electron-matter interaction. We consider the dynamics of a free-electron passing by a two-level system fully quantum mechanically and study the enhancement of interaction from the modulation of the free-electron wave function. In the presence of resonant modulation of the free-electron wave function, we show that the electron energy loss and gain spectrum is greatly enhanced for a coherent initial state of the two-level system. Thus, a modulated electron can function as a probe of the atomic coherence. We further find that distantly separated two-level atoms can be entangled through interacting with the same free electron. Effects of modulation-induced enhancement can also be observed using a dilute beam of modulated electrons.

Theoretical investigations on the charge transport properties of anthracene derivatives with aryl substituents at the 2,6-position-thermally stable "herringbone" stacking motifs.

High-performance organic semiconductor materials based on the small aromatic anthracene-core and its derivatives develop comparatively slowly due to the lack of a profound understanding of the influence of chemical modifications on their charge-transfer properties. Herein, the electronic properties and the charge transport characteristics of several typical anthracene-based derivatives with aryl groups substituted at the 2,6-site are systematically investigated by multi-scale simulation methods including Molecular Dynamics (MD) simulation and the full quantum nuclear tunneling model in the framework of density functional theory (DFT). To elucidate the origin of different charge transport properties of these anthracene-based materials, analysis of the molecular stacking and noncovalent intermolecular interaction caused by different substituents was carried out. The results indicate that the electron and hole injection capabilities and the air oxidation stability of the anthracene derivatives are greatly improved when the size of the aryl substituent increases. In addition, the incorporation of 2,6-site aryl substituents can inhibit the stretching vibration of the anthracene-core during charge transport, and allow molecular packing along the long axis (a-axis of DPA and BDBFAnt, and c-axis of dNaAnt) with almost no slippage, and the main transport channels remain unchanged, exhibiting more isotropic 2D transport properties. It should be emphasized that the edge-to-face dimers with smallest dihedral angles are closest to the thermally stable dimer model, with relatively larger π-orbital distributions in transmission channels (dimer 1, 2) and the largest spatial overlap, resulting in the largest hole transfer integral in DPA (Vh1/h2 = 57 meV). Although the analysis of the thermal disorder effect shows a phonon scattering effect, the maximum hole mobility of the DPA molecule is still as high as 1.5 cm2 V-1 s-1.

A Co-MOF-derived Co9S8@NS-C electrocatalyst for efficient hydrogen evolution reaction.

The exploitation of efficient hydrogen evolution reaction (HER) electrocatalysts has become increasingly urgent and imperative; however, it is also challenging for high-performance sustainable clean energy applications. Herein, novel Co9S8 nanoparticles embedded in a porous N,S-dual doped carbon composite (abbr. Co9S8@NS-C-900) were fabricated by the pyrolysis of a single crystal Co-MOF assisted with thiourea. Due to the synergistic benefit of combining Co9S8 nanoparticles with N,S-dual doped carbon, the composite showed efficient HER electrocatalytic activities and long-term durability in an alkaline solution. It shows a small overpotential of -86.4 mV at a current density of 10.0 mA cm-2, a small Tafel slope of 81.1 mV dec-1, and a large exchange current density (J 0) of 0.40 mA cm-2, which are comparable to those of Pt/C. More importantly, due to the protection of Co9S8 nanoparticles by the N,S-dual doped carbon shell, the Co9S8@NS-C-900 catalyst displays excellent long-term durability. There is almost no decay in HER activities after 1000 potential cycles or it retains 99.5% of the initial current after 48 h.

The complete mitochondrial genome sequence of Centropus bengalensis (Lesser Coucal).

We first reported the mitochondrial genome of Centropus bengalensis. The mitogenome of C. bengalensis contains 17,117 base pairs. The overall base composition of complete mitogenome is 28.15% A, 27.95% T, 21.86% C, and 22.04% G, with 43.90% of the GC content. All genes exhibit the typical mitochondrial gene arrangement and transcribing directions. Phylogenetic analysis of 4 Centropus species was performed based on the sequence of cytochrome b gene using the neighbor-joining method and the Kimura 2-parameter model in MEGA 7.0.

PT-Symmetric Topological Edge-Gain Effect.

We demonstrate a non-Hermitian topological effect that is characterized by having complex eigenvalues only in the edge states of a topological material, despite the fact that the material is completely uniform. Such an effect can be constructed in any topological structure formed by two gapped subsystems, e.g., a quantum spin-Hall system, with a suitable non-Hermitian coupling between the spins. The resulting complex-eigenvalued edge state is robust against defects due to the topological protection. In photonics, such an effect can be used for the implementation of topological lasers, in which a uniform pumping provides gain only in the edge lasing state. Furthermore, such a topological lasing model is reciprocal and is thus compatible with standard photonic platforms.

Enhanced Thermal Hall Effect in Nearly Ferroelectric Insulators.

In the context of recent experimental observations of an unexpectedly large thermal Hall conductivity, κ_{H}, in insulating La_{2}CuO_{4} (LCO) and SrTiO_{3} (STO), we theoretically explore conditions under which acoustic phonons can give rise to such a large κ_{H}. Both the intrinsic and extrinsic contributions to κ_{H} are large in proportion to the dielectric constant, ε, and the "flexoelectric" coupling, F. While the intrinsic contribution is still orders of magnitude smaller than the observed effect, an extrinsic contribution proportional to the phonon mean-free path appears likely to account for the observations, at least in STO. We predict a larger intrinsic κ_{H} in certain insulating perovskites.

[Reaserch Progress on Non-Coding RNA in Multiple Myeloma --Review].

It is found that non-coding RNAs (ncRNA) plays an important role in the development and treatment of multiple myeloma (MM). For example, some microRNAs (miRNAs) can regulate gene expression, affect autophagy, apoptosis and other physiological and pathological processes, affect synthesis of protein, etc., thus providing a basis for diagnosis, treatment and prognosis of MM evaluation. Long-chain non-coding RNA (Long noncoding RNA, lncRNA) can participate in cell differentiation, bind transcription factors to modify histones, specifically regulate the genome, etc., thus providing potential therapeutic targets for MM patients. While circular RNA (CircRNA) possesses post-transcriptional regulation on function and gene expression, thereby inhibiting the cell activity and proliferation of MM, further inducing apoptosis. In this reviews the functional characteristics of different non-coding RNAs and their research progress in multiple myeloma are summarized briefly.

Selective Th(iv) capture from a new metal-organic framework with O- groups.

Herein we report a new 4-fold interpenetrated metal-organic framework (MOF) functionalized with O- groups for selective Th(iv) capture, the activated samples 1a exhibited a high adsorption capacity for pure Th(iv) ions (Kd = 3.16 × 105 mL g-1) and the amount of metal ions adsorbed on the adsorbent was 165.61 mg g-1. A high removal efficiency of 99.75% was achieved within 10 min with an initial Th(iv) concentration of 100 mg L-1 and the adsorption data followed the pseudo-second-order model. In addition, the separation coefficient (S) of Th(iv) to metal ions with different valence states such as Th(iv)/La(iii), Th(iv)/Sm(iii), Th(iv)/Ho(iii), Th(iv)/Cd(ii) and Th(iv)/K(i) achieved values of 19.66, 26.83, 16.90, 11.26 and 255.79, respectively. Even given the fact that MOFs with O- groups showed high affinity for Pb(ii) ions, our adsorption studies for compound 1a revealed a separation coefficient (STh(IV)/Pb(II)) of 4.36. Further, the adsorption of Th(iv) ions to compound 1a was investigated by FT-IR, SEM-EDS and XPS.

Effects of RNAi-induced Skp2 inhibition on cell cycle, apoptosis and proliferation of endometrial carcinoma cells.

The aim of the current study was to investigate the underlying mechanism of S-phase kinase associated protein 2 (Skp2) gene inhibition by lentivirus-mediated RNA interference (RNAi) on the cell cycle, apoptosis and proliferation of endometrial carcinoma HEC-1-A cells. A lentivirus shRNA vector targeting Skp2 was constructed and transfected into HEC-1-A cells. HEC-1-A cells transfected with a scramble sequence were used as negative controls. The mRNA and protein expression of Skp2, p27, cyclin D1 and caspase-3 were detected via reverse transcription-quantitative polymerase chain reaction and western blotting, respectively. The effects of Skp2 inhibition on the cell cycle, apoptosis and proliferation of HEC-1-A cells were detected using flow cytometry and a cell counting kit-8. Skp2 co-expression data was analyzed using Oncomine and TCGA databases. The positive recombinant viral clones were identified via PCR and confirmed via sequencing. The mRNA and protein expression of Skp2 were significantly decreased in HEC-1-A cells transfected with the lentiviral vectors compared with the negative control. In addition, there were no significant changes in the mRNA expression of p27 and cyclin D1; however, the protein levels of p27 and cyclin D1 were upregulated and downregulated, respectively, in HEC-1-A cells transfected with lentiviral vectors compared with negative controls. RNAi-induced Skp2 inhibition exerted an anti-proliferative effect by inducing cell cycle arrest, however cell apoptosis was not significantly affected. In the TCGA database, Skp2 expression positively associated with IGF2R, IGF2BP3, IGFBP1 and CCNF, while Skp2 expression negatively associated with IGF2, IGFBP6, IGFBP7 and IGFBP3. RNAi-induced Skp2 inhibition upregulated the protein expression of p27 and downregulated the protein expression of cyclin D1. The expression of Skp2 in endometrial cancer may therefore be regulated by the insulin-like growth factor 1 receptor signaling pathway.

Metallopolymers cross-linked with self-assembled Ln4L4 cages.

Herein, we fabricated a hybrid PDVB-Ln4L4 metallopolymer using a vinyl functionalized lanthanide-organic tetrahedral cage as the cross-linking agent. Such a covalent embedding strategy not only tunes the morphology and porosity of the metallopolymer, but also improves the luminescence property of the lanthanide organic polyhedron. Potential application in lanthanide separation has also been demonstrated. This study provides a potential strategy for the immobilization of multinuclear lanthanide-organic edifices toward heterogeneous application.