Optical signatures of defects in BiFeO3_3

Optical absorption in rhombohedral BiFeO$_3$ starts at photon energies below the photoemission band gap of $\approx$ 3 eV calculated from first principles. A shoulder at the absorption onset has so far been attributed to low-lying electronic transitions or to oxygen vacancies. In this work optical spectra are calculated ab initio to determine the nature of the optical transitions near the absorption onset of pristine BiFeO$_3$, the effect of electron-hole interaction, and the spectroscopic signatures of typical defects, i.e. doping (excess electrons or holes), intrinsic defects (oxygen and bismuth vacancies), and low-energy structural defects (ferroelectric domain walls)

Electron trapping by neutral pristine ferroelectric domain walls in BiFeO3_3

First-principles calculations for pristine neutral ferroelectric domain walls in BiFeO$_3$ reveal that excess electrons are selectively trapped by the domain walls, while holes are only weakly attracted. Such trapped excess electrons may be responsible for the thermally activated electrical conductivity at domain walls observed in experiments. In the case of a periodic array of domain walls, the trapped excess electrons create a zigzag potential, whose amplitude depends on the electron concentration in the material and the domain-wall distance. The potential is asymmetric for 71{\deg} and 109{\deg} domain walls. This could modify the open-circuit voltage in a solar cell and hence influence the photoelectric effect in BiFeO$_3$

Initial Stage of PRC's Economic Reform

Tato práce si klade za cíl popsat významné ekonomické reformy a jejich dopady v Čínské lidové republice od nástupu Deng Xiaopinga k moci (1978) do událostí na náměstí Tian'anmen (1989). Práce předkládá nástin ekonomického vývoje ČLR do roku 1978 a s ohledem na mimořádný význam čínské politické situace na ekonomický vývoj Číny také stručný rozbor politické situace Číny 70. a 80. let, přičemž klade důraz na procesy, které ovlivnily reformní proces. Klíčová část práce se zaměřuje na popis průběhu a výsledky reforem v zemědělství, průmyslu a podnicích na venkově a ve městě. Kromě toho se zabývá problematikou přechodu na tržní socialismus a s ním spojené zavádění tržních mechanismů a rozvolňování centrálního plánování. V závěru se práce stručně věnuje změnám v kvalitě života obyvatelstva.This paper's ambition is to describe essential economic reforms and their consequences in the People's republic of China since Deng Xiaoping's accession to power (1978) until the events on Tian'anmen square (1989). The paper presents the outline of the economic development of PRC until 1978 and considering the extraordinary impact of Chinese political situation on China's economic development, the paper also presents a concise analysis of the political situation of China in 70s and 80s while stressing the processes that influenced the reform process. The pivotal part of the paper presents the description of the course and outcome of the reforms in agriculture, industry and both village and municipal enterprises. Besides that it addresses the topic of transition towards the market socialism and implementation of the market mechanisms and the central planning related to it. The final part of the paper presents a concise description of changes in the quality of life of citizens.Institute of East Asian StudiesÚstav Dálného východuFaculty of ArtsFilozofická fakult

Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation

International audienceSelf-consistent GW calculations and the solution of the Bethe-Salpeter equation are to date the best available approaches to simulate electronic excitations in a vast class of materials, ranging from molecules to solids. However, up to now numerical instabilities made it impossible to use these techniques to calculate optical absorption spectra of the best-known thin-film absorbers for solar cells: Cu(In,Ga)(S,Se) 2 chalcopyrites and Cu 2 ZnSn(S,Se) 4 kesterites/stannites. We show here how to solve this problem using a finite-difference method in k space to evaluate the otherwise diverging dipole matrix elements, obtaining an excellent agreement with experiments. Having established the validity of this approach, we use it then to calculate the optical response of the less studied, but promising, Cu 2 ZnGe(S,Se) 4 compounds, opening the way to predictive calculations of still unknown materials

Zig-zag charged domain walls in ferroelectric PbTiO3_3

We report a theoretical investigation of a charged 180$^\circ$ domain wall in ferroelectric PbTiO$_3$, compensated by randomly distributed immobile charge defects. For this we utilize atomistic shell-model simulations and continuous phase-field simulations in the framework of the Ginzburg-Landau-Devonshire model. We predict that domain walls form a zig-zag pattern and we discuss its properties in a broad interval of compensation-region widths, ranging from a couple to over a hundred nanometers

Redox signals at the ER-mitochondria interface control melanoma progression.

Reactive oxygen species (ROS) are emerging as important regulators of cancer growth and metastatic spread. However, how cells integrate redox signals to affect cancer progression is not fully understood. Mitochondria are cellular redox hubs, which are highly regulated by interactions with neighboring organelles. Here, we investigated how ROS at the endoplasmic reticulum (ER)-mitochondria interface are generated and translated to affect melanoma outcome. We show that TMX1 and TMX3 oxidoreductases, which promote ER-mitochondria communication, are upregulated in melanoma cells and patient samples. TMX knockdown altered mitochondrial organization, enhanced bioenergetics, and elevated mitochondrial- and NOX4-derived ROS. The TMX-knockdown-induced oxidative stress suppressed melanoma proliferation, migration, and xenograft tumor growth by inhibiting NFAT1. Furthermore, we identified NFAT1-positive and NFAT1-negative melanoma subgroups, wherein NFAT1 expression correlates with melanoma stage and metastatic potential. Integrative bioinformatics revealed that genes coding for mitochondrial- and redox-related proteins are under NFAT1 control and indicated that TMX1, TMX3, and NFAT1 are associated with poor disease outcome. Our study unravels a novel redox-controlled ER-mitochondria-NFAT1 signaling loop that regulates melanoma pathobiology and provides biomarkers indicative of aggressive disease

Cancer-associated fibroblasts stimulate primary tumor growth and metastatic spread in an orthotopic prostate cancer xenograft model

The unique microenvironment of the prostate plays a crucial role in the development and progression of prostate cancer (PCa). We examined the effects of cancer-associated fibroblasts (CAFs) on PCa progression using patient-derived fibroblast primary cultures in a representative orthotopic xenograft model. Primary cultures of CAFs, non-cancer-associated fibroblasts (NCAFs) and benign prostate hyperplasia-associated fibroblasts (BPHFs) were generated from patient-derived tissue specimens. These fibroblasts were coinjected together with cancer cells (LuCaP136 spheroids or LNCaP cells) in orthotopic PCa xenografts to investigate their effects on local and systemic tumor progression. Primary tumor growth as well as metastatic spread to lymph nodes and lungs were significantly stimulated by CAF coinjection in LuCaP136 xenografts. When NCAFs or BPHFs were coinjected, tumor progression was similar to injection of tumor cells alone. In LNCaP xenografts, all three fibroblast types significantly stimulated primary tumor progression compared to injection of LNCaP cells alone. CAF coinjection further increased the frequency of lymph node and lung metastases. This is the first study using an orthotopic spheroid culture xenograft model to demonstrate a stimulatory effect of patient-derived CAFs on PCa progression. The established experimental setup will provide a valuable tool to further unravel the interacting mechanisms between PCa cells and their microenvironment

Antagonizing Sec62 function in intracellular Ca2+ homeostasis represents a novel therapeutic strategy for head and neck cancer

Various cancer types including head and neck squamous cell carcinomas (HNSCC) show a frequent amplification of chromosomal region 3q26 that encodes, among others, for the SEC62 gene. Located in the ER membrane, this translocation protein is known to play a critical role as a potential driver oncogene in cancer development. High SEC62 expression levels were observed in various cancer entities and were associated with a poor outcome and increased metastatic burden. Because of its intracellular localization the SEC62 protein is poorly accessible for therapeutic antibodies, therefore a functional SEC62 knockdown represents the most promising mechanism of a potential antineoplastic targeted therapy. By stimulating the Ca2+ efflux from the ER lumen and thereby increasing cellular stress levels, a functional inhibition of SEC62 bears the potential to limit tumor growth and metastasis formation. In this study, two potential anti-metastatic and -proliferative agents that counteract SEC62 function were investigated in functional in vitro assays by utilizing an immortalized human hypopharyngeal cancer cell line as well as a newly established orthotopic murine in vivo model. Additionally, a CRISPR/ Cas9 based SEC62 knockout HNSCC cell line was generated and functionally characterized for its relevance in HNSCC cell proliferation and migration as well as sensitivity to SEC62 targeted therapy in vitro

Erythropoietin accelerates the revascularization of transplanted pancreatic islets

Background and Purpose Pancreatic islet transplantation is a promising therapeutic approach for Type 1 diabetes. A major prerequisite for the survival of grafted islets is a rapid revascularization after transplantation. Erythropoietin (EPO), the primary regulator of erythropoiesis, has been shown to promote angiogenesis. Therefore, we investigated in this study whether EPO improves the revascularization of transplanted islets. Experimental Approach Islets from FVB/N mice were transplanted into dorsal skinfold chambers of recipient animals, which were daily treated with an intraperitoneal injection of EPO (500 IU·kg−1) or vehicle (control) throughout an observation period of 14 days. In a second set of experiments, animals were only pretreated with EPO over a 6‐day period prior to islet transplantation. The revascularization of the grafts was assessed by repetitive intravital fluorescence microscopy and immunohistochemistry. In addition, a streptozotocin‐induced diabetic mouse model was used to study the effect of EPO‐pretreatment on the endocrine function of the grafts. Key Results EPO treatment slightly accelerated the revascularization of the islet grafts. This effect was markedly more pronounced in EPO‐pretreated animals, resulting in significantly higher numbers of engrafted islets and an improved perfusion of endocrine tissue without affecting systemic haematocrit levels when compared with controls. Moreover, EPO‐pretreatment significantly accelerated the recovery of normoglycaemia in diabetic mice after islet transplantation. Conclusion and Implications These findings demonstrate that, particularly, short‐term EPO‐pretreatment represents a promising therapeutic approach to improve the outcome of islet transplantation, without an increased risk of thromboembolic events

Time- and temperature-dependent postmortem concentration changes of the (synthetic) cannabinoids JWH-210, RCS-4, as well as ∆9-tetrahydrocannabinol following pulmonary administration to pigs

In forensic toxicology, interpretation of postmortem (PM) drug concentrations might be complicated due to the lack of data concerning drug stability or PM redistribution (PMR). Regarding synthetic cannabinoids (SC), only sparse data are available, which derived from single case reports without any knowledge of dose and time of consumption. Thus, a controlled pig toxicokinetic study allowing for examination of PMR of SC was performed. Twelve pigs received a pulmonary dose of 200 µg/kg BW each of 4-ethylnaphthalene-1-yl-(1-pentylindole-3-yl)methanone (JWH-210), 2-(4-methoxyphenyl)-1-(1-pentyl-indole-3-yl)methanone (RCS-4), and Δ9-tetrahydrocannabinol via an ultrasonic nebulizer. Eight hours after, the pigs were put to death with T61 and specimens of relevant tissues and body fluids were collected. Subsequently, the animals were stored at room temperature (n = 6) or 4 °C (n = 6) and further samples were collected after 24, 48, and 72 h each. Concentrations were determined following enzymatic cleavage and solid-phase extraction by liquid-chromatography tandem mass spectrometry applying the standard addition approach. High concentrations of the parent compounds were observed in lung, liver, kidney and bile fluid/duodenum content as well as brain. HO-RCS-4 was the most prevalent metabolite detected in PM specimens. In general, changes of PM concentrations were found in every tissue and body fluid depending on the PM interval as well as storage temperature