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.

A FRET-based multifunctional fluorescence probe for the simultaneous detection of sulfite and viscosity in living cells.

Viscosity and sulfur dioxide derivatives were significant indicators for the assessment of health threat and even cancers, therefore, on-site and real time detection of viscosity and sulfur dioxide derivatives has obtained considerable attentions. An FRET-based fluorescence probe JZX was designed and synthesized based on a novel energy donor of N,N-diethyl-4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzamide fluorophore. JZX exhibited a large Stokes shift (230 nm), high energy transfer efficiency, wide emission channel gap (135 nm) and excellent stability and biocompatibility. JZX detected sulfur dioxide with low detection limit (55 nM), fast responding (16 min), high selectivity and sensitivity. Additionally, JZX tend to target endoplasmic reticulum of which normal metabolism will be disturbed by the abnormal levels of viscosity and sulfur dioxide derivatives. Prominently, JZX could concurrently detect viscosity and sulfur dioxide derivatives depending on different fluorescence signals in living cells for the screening of cancer cells. Hence, probe JZX will be a promising candidate for the detection of viscosity and sulfur dioxide derivatives, and even for the diagnosis of liver cancers.

A meta-analysis on the efficacy of low-intensity cognitive behavioural therapy for generalised anxiety disorder.

BACKGROUND: Low-intensity cognitive behavioural therapy (LICBT) has been recommended as a primary intervention in the tiered care for mild to moderate generalised anxiety disorder. However, LICBT for generalised anxiety disorder are markedly diverse and efficacy data on various outcomes have not been systematically reviewed. This meta-analysis aimed to synthesise effect sizes of three NICE-recommended LICBT for generalised anxiety disorder: non-facilitated self-help, guided self-help, and psychoeducational groups. METHODS: A systematic literature review of randomised controlled trials (RCTs) examining LICBT for generalised anxiety disorder in the last 23 years (2000-2023) was conducted. Efficacy data for anxiety, depression, and worry outcomes were separately meta-analysed. The study was reported following the PRISMA guidelines. RESULTS: The systematic review identified 12 RCTs out of 1205 papers. The three meta-analyses consisted of 12 (anxiety), 11 (depression), and 9 (worry) effect sizes respectively, including total sample sizes of 1201 (anxiety), 1164 (depression), and 908 (worry). The adjusted effect sizes for reductions in anxiety (g = -0.63), depression (g = -0.48), and worry (g = -0.64) were all in the medium range, favouring LICBT over control conditions. Between-study heterogeneity was significant on anxiety and worry, with no specific moderators identified by meta-regression. CONCLUSIONS: LICBT has shown promise as an effective and efficient treatment modality for individuals with generalised anxiety disorder. Future research comparing various LICBT subtypes and treatment components will further inform clinical practice. TRIAL REGISTRATION: This systematic review protocol has been registered with the International Prospective Register of Systematic Reviews (PROSPERO; record ID CRD42021285590).

A clean process for the recovery of rare earth and transition metals from NiMH battery based on primary amine and lauric acid.

A novel rare earth separation system composed of lauric acid (LA) and primary ammonium (RNH2) was studied. Compared with individual LA and RNH2, the mixed extraction system can significantly improve the extraction and separation ability of rare earth (RE). When LA and RNH2 are mixed in an equal molar ratio, the synergistic coefficient for extracting Nd(III) in the system reaches 136.85. Effective separation of Nd from Co and Ni can be achieved, with the separation coefficients of 1503 and 2762 for Nd/Co and Nd/Ni, respectively. The ion association mechanism of developed extraction system can avoid the generation of saponification wastewater. Thus, the negative impact of saponification wastewater on the economy and environment can be reduced. The extraction system is simple to be prepared and easy to be stripped, which helps to reduce acid and alkali consumption. Application of this extraction system can effectively realize the separation of RE elements La, Ce, Pr, Nd and transition metals Co, Ni, Mn in nickel-metal hydride (NiMH) battery. This paper provides a new strategy for the development of ionic liquid saponification technology without saponified wastewater.

Facilitating the Electrochemical Oxidation of ZnS through Iodide Catalysis for Aqueous Zinc-Sulfur Batteries.

Aqueous zinc-sulfur (Zn-S) batteries show great potential for unlocking high energy and safety aqueous batteries. Yet, the sluggish kinetic and poor redox reversibility of the sulfur conversion reaction in aqueous solution challenge the development of Zn-S batteries. Here, we fabricate a high-performance Zn-S battery using highly water-soluble ZnI2 as an effective catalyst. In situ experimental characterizations and theoretical calculations reveal that the strong interaction between I- and the ZnS nanoparticles (discharge product) leads to the atomic rearrangement of ZnS, weakening the Zn-S bonding, and thus facilitating the electrochemical oxidation reaction of ZnS to S. The aqueous Zn-S battery exhibited a high energy density of 742 Wh kg(sulfur) -1 at the power density of 210.8 W kg(sulfur) -1 and good cycling stability over 550 cycles. Our findings provide new insights about the iodide catalytic effect for cathode conversion reaction in Zn-S batteries, which is conducive to promoting the future development of high-performance aqueous batteries.

Recent Progress and Challenges in Faradic Capacitive Desalination: From Mechanism to Performance.

Due to substantial consumption and widespread contamination of the available freshwater resources, green, economical, and sustainable water recycling technologies are urgently needed. Recently, Faradic capacitive deionization (CDI), an emerging desalination technology, has shown great desalination potential due to its high salt removal ability, low consumption, and hardly any co-ion exclusion effect. However, the ion removal mechanisms and structure-property relationships of Faradic CDI are still unclear. Therefore, it is necessary to summarize the current research progress and challenges of Faradic CDI. In this review, the recent progress of Faradic CDI from five aspects is systematically reviewed: cell architectures, desalination mechanisms, evaluation indicators, operation modes, and electrode materials. The working mechanisms of Faradic CDI are classified as insertion reaction, conversion reaction, ion-redox species interaction, and ion-redox couple interaction in the electrolytes. The intrinsic and desalination properties of a series of Na+ and Cl- capturing materials are described in detail in terms of design concepts, structural analysis, and synthesis modulation. In addition, the effects of different cell architectures, operation modes, and electrode materials on the desalination performance of Faradic CDI are also investigated. Finally, the work summarizes the challenges remaining in Faradic CDI and provides the prospects and directions for future development.

A systematic review and meta-analysis: the therapeutic and preventive effect of Lactobacillus reuteri DSM 17,938 addition in children with diarrhea.

OBJECTIVE: To summarize the effect of adding Lactobacillus reuteri in the treatment plan for diarrheal disease in children, and analyze the potential of probiotics in preventing the occurrence of diarrheal disease. METHODS: Search for randomized controlled trials of Lactobacillus reuteri for the treatment and prevention of diarrhea in the Pubmed, Web of science, Medline, and Cochrane databases. Data such as the number of diarrhea patients, time, length of stay, clinical symptoms and effect of diarrhea prevention were extracted for meta-analysis. Relative risk and confidence interval (RR and 95% CI) were used as outcome indicators. RESULTS: 963 participants in the 9 RCTs came from multiple countries/regions. Compared with placebo/no intervention, the number of diarrhea patients in the Lactobacillus reuteri group was significantly reduced on the day 1 (RR = 0.87, 95%CI: 0.78-0.97) and day 2 (RR = 0.61, 95%CI: 0.44-0.83). Cumulative statistics analysis showed that the effect was stable and significant starting on the 4th day after treatment. A few studies have shown that Lactobacillus reuteri can reduce the time of diarrhea, the number of days with watery stools, and days of hospital stay. However, it has no effect on the occurrence of nosocomial diarrhea (RR = 1.11, 95%CI: 0.68-1.83), rotavirus diarrhea (RR = 1.46, 95%CI: 0.78-2.72), antibiotic-related diarrhea (RR = 1.76, 95%CI: 0.77-4.05), and diarrhea (RR = 1.35, 95%CI: 0.95-1.92). CONCLUSION: Addition of Lactobacillus reuteri in the treatment plan has a significant effect on reducing the number of diarrhea and reducing the symptoms of diarrhea, but has no obvious effect on the prevention of diarrhea. Combining probiotics and improving the ability of probiotics to respond is the focus of attention.

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.

Exosomal circ-CACNG2 promotes cardiomyocyte apoptosis in multiple myeloma via modulating miR-197-3p/caspase3 axis.

Multiple myeloma (MM) secreted exosomes are essential in MM-related complications such as osteolytic bone lesions and renal failure, but their role and underlying mechanism in cardiac complications has not yet been clarified. Here, we investigated the effects of U266 (a MM cell line) exosomes (U266-exo) on regulating the viability, cell cycle, oxidative stress and apoptosis of H9C2 cells and the role of circ-CACNG2 in these effects. We found that U266-exo coculture significantly inhibited viability and promoted apoptosis of H9C2 cells, and serum exosomes of MM patients harbored high level of circ-CACNG2. The clinical data analyses indicated that circ-CACNG2 was an independent prognostic and diagnostic indicator of MM-related cardiac complications. Also, in vitro experiments showed that circ-CACNG2 inhibited viability and promoted apoptosis of H9C2 cells. RIPA, pull-down assays, dual-luciferase reporter assays, and RNA FISH assays revealed that miR-197-3p could bind to circ-CACNG2 and caspase3 directly. Rescue experiments proved that circ-CACNG2 can increase the expression of caspase3 by binding to and decreasing the expression of miR-197-3p. In conclusion, MM-exosomes could inhibit cardiomyocyte viability and promote apoptosis partially through circ-CACNG2/miR-197-3p/caspase3 axis.

Recently urodynamic and quality of life assessment in the non-menopausal women with cervical cancer after radical hysterectomy.

PURPOSE: The aim of this study was to evaluate the pre- and postoperative changes in the recently urodynamic and quality of life (QoL) in nonmenopausal women diagnosed with cervical cancer and treated with radical hysterectomy (RH). PATIENTS AND METHODS: Twenty-eight nonmenopausal women (28-49 years) with cervical carcinoma (FIGO stage Ia2-IIa) underwent a radical hysterectomy. Urodynamic studies were performed 1 week before (U0) and 3-6 months (U1) after surgery. A self-administered condition-specific QoL questionnaire (PFDI-20, PFIQ-7) was applied at U0 and U1. RESULTS: Data from the urodynamics analysis performed at U1 showed that the average first sensation volume (119.39 ± 12.28 ml vs 150.43 ± 31.45 ml, P < 0.001), the residual urine volume (6.39 ± 10.44 ml vs. 42.32 ± 33.72 ml, P < 0.001), and the time of urination (46.10 ± 16.65 s vs. 74.31 ± 23.94 s, P < 0.001) were increased, while the bladder volume at a strong desire to void (448.89 ± 86.62 ml vs. 322.82 ± 50.89 ml, P < 0.001), the bladder compliance (82.63 ± 58.06 ml/cmH2O vs. 37.45 ± 28.66 ml/cmH2O, P < 0.001), the average flow rate (Qave) (23.86 ± 4.25 ml/s vs. 12.57 ± 2.37 ml/s, P < 0.001), the maximum natural flow rate (Qmax) (25.42 ± 6.46 ml/s vs. 14.43 ± 5.32 ml/s, P < 0.001), and the pressure at a peak flow rate (PdetQmax) (36.53 ± 11.20 cmH2O vs. 31.43 ± 10.56 cmH2O, P < 0.05) were decreased. At the same time, functional pelvic problems derived from prolapse (PFDI-20 scores) and their impact on the patients' Qol (PFIQ-7 score) were significantly improved at 3-6 months postoperation. CONCLUSION: Radical hysterectomy results in urodynamic changes, and 3-6 months postoperation may be an important period for changes in bladder dysfunction after RH. Urodynamic and QoL analyses may provide methods for assessing symptoms.

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.

Decavanadate Doped Polyaniline for Aqueous Zinc Batteries.

Polyaniline (PANI) is a promising cathode material for aqueous rechargeable zinc batteries (ARZBs), mainly benefitting from its good electrical conductivity. The high conductivity of PANI requires high doping level, yet the introduced nonactive dopants (e.g., SO4 2- ) limit the gravimetric capacity of PANI (usually < 180 mAh g-1 ). Herein, an electro-active dopant (decavanadate anion, V10 O28 6- ) is employed to fabricate the PANI cathode (PANI-V10 O28 ) for ARZBs. The doped decavanadate anion with the sub-nanometer structure can fully expose the V-based active sites, exhibiting good electrochemical activity. Due to the steric hindrance effect as well as the strong interaction between decavanadate anions and PANI chains, the active dopants are trapped in the polymer chains, demonstrating good structural and electrochemical stability. PANI-V10 O28 achieves a record-high gravimetric capacity of 355 mAh g-1 at 0.1 A g-1 , which is significantly higher than other reported PANI cathodes. Experimental results suggest that the charge storage mechanism of PANI-V10 O28 includes reversible injection/extraction of Zn(H2 O)2 Cl4 2- ions in PANI, as well as the protonation/deprotonation of V10 O28 6- . This work enriches the doping chemistry of conducting polymer and pushes the development of organic cathodes for ARZBs to a new stage.

Theoretically seeking charge transport materials with inherent mobility higher than 2,6-diphenyl anthracene: three isomers of 2,6-dipyridyl anthracene.

2,6-Diphenyl anthracene (2,6-DPA) is a well-known anthracene derivative with high hole mobility (34 cm2 V-1 s-1) among p-type organic semiconductors (OSCs). In contrast, three 2,6-dipyridyl anthracene (2,6-DPyA) molecules (ortho-, meta-, and para-pyridyl), which are isoelectronic to 2,6-DPA showed relatively low mobility in experiments. To explore the origin of different charge transport properties and gain new inspiration on the design of novel organic semiconductor materials, the intrinsic hole transport property of 2,6-DPA and three isomeric 2,6-DPyAs were theoretically investigated and compared by quantum-chemical methodology and molecular dynamics simulation. The calculated results indicate that the intrinsic mobility of 2,6-DPyA-b (meta-) is superior to that of 2,6-DPA (12.73 vs. 3.54 cm2 V-1 s-1). Furthermore, the possibility that 2,6-DPyA-b may be strongly affected by thermal fluctuations is excluded because of the strong intermolecular C-H⋯N interactions (H-bonds). In addition, the crystal growth morphology prediction is considered in depth by the attachment energy (AE) model. The prediction results demonstrate that the strong intermolecular H-bonds in 2,6-DPyA do not facilitate the formation of a large and regular crystal face but rather the production of many grains and grain boundaries, which is not conducive to the charge carrier transport. This study reflects the paradox of the H-bond in OSCs and highlights the indispensability of the mesoscopic crystal growth morphology prediction in identifying high performance OSC materials and the establishment of the relationship between microcosmic organic molecules and macroscopic device performance.

A clean process for selective recovery of copper from industrial wastewater by extraction-precipitation with p-tert-octyl phenoxy acetic acid.

A novel method for the selective removal and recovery of copper ion from copper-containing wastewater by extraction-precipitation with p-tert-octyl phenoxy acetic acid as a precipitant is presented. The morphology, thermal stability and solubility of POAA were synthesized and characterized. Then the application of POAA to precipitate copper from simulated copper-containing wastewater was studied. The effects of some factors (i.e., time, pH, temperature, dosage of precipitant) on copper precipitation efficiency (P%) and water solubility of POAA were discussed. The extraction-precipitation mechanism of POAA and Cu2+ was investigated by slope analysis combined with SEM, EDS, XPS and IR spectra. The concentration and purity of copper from industrial wastewater increased from 100.2 mg/L to 27,916 mg/L and 13.71%-93.01% respectively, treating by the proposed extraction-precipitation. Moreover, POAA revealed good stability in the recycling processes. Extraction-precipitation strategy is simple, efficient and sustainable, which can effectively reduce the volume of sludge in the process of wastewater treatment and produce copper concentrated solution with industrial value, which has revealed application potential for the clean production of copper smelting enterprises.

The enrichment of rare earth from magnesium salt leaching solution of ion-adsorbed type deposit: A waste-free process for removing impurities.

Due to the complex composition of ion-adsorbed type rare earth ore leaching solution, there are challenges in the process of rare earth (RE) separation, such as large RE loss rate, low product purity, radioactive residue and so on. In this article, 8-hydroxyquinoline modified silica gel (HQ-SiO2) and 2,2'-(1,4-phenylenebis(oxy)) dioctanoic acid (PPBOA) were used to form an efficient process for impurities removal and RE enrichment. Solid phase extraction successfully intercepted 96.7% of the radioactive element thorium. The concentration of aluminium was reduced to 2.14 ppm by frank chromatography. Rare earth elements were enriched from 336.35 mg/L to 237.75 g/L by extraction-precipitation, that is, the enrichment multiple reached more than 700 and the proportion of RE was increased from 21.85% to 96.62%. The loss rate of RE was controlled below 1.59%. Moreover, the magnesium salt leaching solution could be recycled for the leaching of RE ores. Although some liquid waste need to be treated in the processes of HQ-SiO2 production and regeneration, the integrated process helps to decrease volatile organic solvent, acid-base consumption, wastewater and waste residue. It is an environment-friendly RE enrichment and impurity removal process, which shows application potential in the production field of ion-adsorbed type rare earth mineral products.

Exosomal circRNA as a novel potential therapeutic target for multiple myeloma-related myocardial damage.

INTRODUCTION: Myocardial damage is a mostly incurable complication of multiple myeloma (MM) that seriously affects the treatment outcome and quality of life of patients. Exosomal circular RNAs (exo-circRNAs) play an important role in tumor occurrence and development and are considered key factors in MM pathogenesis. However, the role and mechanism of action of exo-circRNAs in MM-related myocardial damage are still unclear. This study aimed to investigate correlations between exo-circRNAs and MM and to preliminarily explore the role of exo-circRNAs in MM-related myocardial damage. METHODS: Six MM patients and five healthy controls (HCs) were included in the study. High-throughput sequencing and qRT-PCR verification were used to obtain a profile of abnormally expressed exo-circRNAs. GO, KEGG, miRanda, TargetScan and Metascape were used for bioinformatics analyses. H9C2 cells treated with exosomes from U266 cells were used in cell experiments. CCK-8, PCR, immunofluorescence and western blotting assays were used to detect cell proliferation and expression of autophagy-related indicators. Electron microscopy was used to observe the number of autophagic vesicles. RESULTS: Bioinformatics analysis showed that circRNAs with upregulated expression had the potential to promote MM-related myocardial damage. In addition, PCR results confirmed that circ-G042080 was abundantly expressed in the serum exosomes of 20 MM patients. Correlation analysis showed that the expression level of circ-G042080 was positively correlated with the clinical level of MM and MM-related myocardial damage and that circ-G042080 might interfere with MM-related myocardial damage through a downstream miRNA/TLR4 axis. Cell experiments demonstrated that the circ-G042080/hsa-miR-4268/TLR4 axis might exist in H9C2 cells incubated with exosomes and cause abnormal autophagy. CONCLUSION: Abnormal expression of serum exo-circRNAs was found to be associated with MM-related myocardial damage, suggesting that exo-circRNAs might become a new diagnostic marker of MM-related myocardial damage and a therapeutic target.

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.

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.

Analysis of chicken macrophage functions and gene expressions following infectious bronchitis virus M41 infection.

Infectious bronchitis virus (IBV) is a pathogenic coronavirus with high morbidity and mortality in chicken breeding. Macrophages with normal biofunctions are essential for host immune responses. In this study, the HD11 chicken macrophage cell line and chicken peripheral blood mononuclear cell-derived macrophages (PBMCs-Mφ) were infected with IBV at multiplicity of infection (MOI) of 10. The dynamic changes of their biofunctions, including cell viability, pathogen elimination function, phagocytic ability, and gene expressions of related proteins/mediators in innate and acquired immunity, inflammation, autophagy and apoptosis were analyzed. Results showed that IBV infection decreased chicken macrophage viability and phagocytic ability, and increased pathogen elimination function. Moreover, IBV augmented the gene expressions of most related proteins in macrophages involved in multiple host bioprocesses, and the dynamic changes of gene expressions had a close relationship with virus replication. Among them, MHCII, Fc receptor, TLR3, IFN-α, CCL4, MIF, IL-1ß, IL-6, and iNOS showed significantly higher expressions in IBV-infected cells. However, TLR7, MyD88, MDA5, IFN-γ, MHCII, Fc receptor, MARCO, CD36, MIF, XCL1, CXCL12, TNF-α, iNOS, and IL-10 showed early decreased expressions. Overall, chicken macrophages play an important role in host innate and acquired immune responses to resist IBV infection, despite early damage or suppression. Moreover, the IBV-induced autophagy and apoptosis might participate in the virus-host cell interaction which is attributed to the biological process.

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.