Combined first-principles calculation and neural-network correction approach for heat of formation

A promising new approach to improve the results of first-principles quantum mechanical calculations and to calibrate their uncertainties is presented. The approach is highly efficient compared to much more sophisticated first-principles methods of similar accuracy, and more importantly, is expected to be applied to much larger systems.published_or_final_versio

Oscillatory thermopower of carbon chains: First-principles calculations

We investigate the thermoelectric transport through carbon chains connected by two Al leads. Using a Landauer-Buttiker-like formula, we calculate the thermopower and thermoconductance of Al-Cn-Al from first principles. We find that the charge transfer plays an important role in the thermoelectric transport. Because of the charge transfer, the thermopower changes sign for even-odd number of carbon atoms. The thermopower and electric conductance as a function of the gate voltage also exhibit oscillatory behaviors with a phase difference of pi/2.published_or_final_versio

Pulmonary vasoconstrictor action of KCNQ potassium channel blockers

KCNQ channels have been widely studied in the nervous system, heart and inner ear, where they have important physiological functions. Recent reports indicate that KCNQ channels may also be expressed in portal vein where they are suggested to influence spontaneous contractile activity. The biophysical properties of K+ currents mediated by KCNQ channels resemble a current underlying the resting K+ conductance and resting potential of pulmonary artery smooth muscle cells. We therefore investigated a possible role of KCNQ channels in regulating the function of pulmonary arteries by determining the ability of the selective KCNQ channel blockers, linopirdine and XE991, to promote pulmonary vasoconstriction. Linopirdine and XE991 both contracted rat and mouse pulmonary arteries but had little effect on mesenteric arteries. In each case the maximum contraction was almost as large as the response to 50 mM K+. Linopirdine had an EC50 of around 1 μM and XE991 was almost 10-fold more potent. Neither removal of the endothelium nor exposure to phentolamine or α,β-methylene ATP, to block α1-adrenoceptors or P2X receptors, respectively, affected the contraction. Contraction was abolished in Ca2+-free solution and in the presence of 1 μM nifedipine or 10 μM levcromakalim

Microcystin-leucine arginine causes cytotoxic effects in sertoli cells resulting in reproductive dysfunction in male mice

2016-2017 > Academic research: refereed > Publication in refereed journal201804_a bcmaVersion of RecordPublishe

Survivin as a therapeutic target in Sonic hedgehog-driven medulloblastoma.

Medulloblastoma (MB) is a highly malignant brain tumor that occurs primarily in children. Although surgery, radiation and high-dose chemotherapy have led to increased survival, many MB patients still die from their disease, and patients who survive suffer severe long-term side effects as a consequence of treatment. Thus, more effective and less toxic therapies for MB are critically important. Development of such therapies depends in part on identification of genes that are necessary for growth and survival of tumor cells. Survivin is an inhibitor of apoptosis protein that regulates cell cycle progression and resistance to apoptosis, is frequently expressed in human MB and when expressed at high levels predicts poor clinical outcome. Therefore, we hypothesized that Survivin may have a critical role in growth and survival of MB cells and that targeting it may enhance MB therapy. Here we show that Survivin is overexpressed in tumors from patched (Ptch) mutant mice, a model of Sonic hedgehog (SHH)-driven MB. Genetic deletion of survivin in Ptch mutant tumor cells significantly inhibits proliferation and causes cell cycle arrest. Treatment with small-molecule antagonists of Survivin impairs proliferation and survival of both murine and human MB cells. Finally, Survivin antagonists impede growth of MB cells in vivo. These studies highlight the importance of Survivin in SHH-driven MB, and suggest that it may represent a novel therapeutic target in patients with this disease

Managing The Combination Of Nonalcoholic Fatty Liver Disease And Metabolic Syndrome With Chinese Herbal Extracts In High-fat-diet Fed Rats

Nonalcoholic fatty liver disease (NAFLD) is the hepatic manifestation of metabolic syndrome (MetS). The aim of the study was to evaluate the effects of Chinese herbal extracts from Salvia miltiorrhiza and Gardenia jasminoides (SGE) on the combination of NAFLD and MetS induced by a high-fat diet (HFD) in rats. After 6 weeks of HFD feeding, rats ( each group) were treated with saline, rosiglitazone (RSG), and SGE for 4 weeks. HFD rats were obese, hyperinsulinemic, hyperlipidemic and increased hepatic enzymes with the histological images of NAFLD. Treatment with SGE significantly reduced serum triglycerides (TG), nonesterified fatty acids and enhanced insulin sensitivity, and ameliorated the elevated serum hepatic enzymes compared with HFD-saline group. SGE treatment also attenuated hepatic TG by 18.5% (). Histological stains showed SGE decreased lipids droplets in hepatocytes () and normalized macrovesicular steatosis in HFD rats. Significant reduction of TNF-a and IL6 in adipose tissue was detected in SGE treated rats. The anti-inflammatory action may be, at least in part, the mechanism of SGE on MetS associated with NAFLD. This study discovered that SGE is capable of managing metabolic and histological abnormalities of NAFLD and MetS. SGE may be an optimal treatment for the combination of NAFLD and MetS

Local well-posedness for the nonlinear Schr\"odinger equation in the intersection of modulation spaces Mp,qs(Rd)∩M∞,1(Rd)M_{p, q}^s(\mathbb{R}^d) \cap M_{\infty, 1}(\mathbb{R}^d)

We introduce a Littlewood-Paley characterization of modulation spaces and use it to give an alternative proof of the algebra property, somehow implicitly contained in Sugimoto (2011), of the intersection $M^s_{p,q}(\mathbb{R}^d) \cap M_{\infty, 1}(\mathbb{R}^d)$ for $d \in \mathbb{N}$, $p, q \in [1, \infty]$ and $s \geq 0$. We employ this algebra property to show the local well-posedness of the Cauchy problem for the cubic nonlinear Schr\"odinger equation in the above intersection. This improves Theorem 1.1 by B\'enyi and Okoudjou (2009), where only the case $q = 1$ is considered, and closes a gap in the literature. If $q > 1$ and $s > d \left(1 - \frac{1}{q}\right)$ or if $q = 1$ and $s \geq 0$ then $M^s_{p,q}(\mathbb{R}^d) \hookrightarrow M_{\infty, 1}(\mathbb{R}^d)$ and the above intersection is superfluous. For this case we also reobtain a H\"older-type inequality for modulation spaces.Comment: 14 page

Unique walnut-shaped porous MnO<inf>2</inf>/C nanospheres with enhanced reaction kinetics for lithium storage with high capacity and superior rate capability

Unique walnut-shaped porous MnO2/carbon nanospheres via in situ carbonization of amorphous MnO2 nanospheres demonstrate enhanced reaction kinetics for lithium storage.This work is realized in the frame of a program for Changjiang Scholars and Innovative Research Team (IRT_15R52) of Chinese Ministry of Education. B. L. Su acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents” and a Life Membership at the Clare Hall, Cambridge and the financial support of the Department of Chemistry, University of Cambridge. Y. Li acknowledges Hubei Provincial Department of Education for the “Chutian Scholar” program. T. Hasan acknowledges funding from the Royal Academy of Engineering (Graphlex) and an Impact Acceleration Award (GRASS). This work is also financially supported by the National Science Foundation for Young Scholars of China (No. 21301133 and 51302204), International Science & Technology Cooperation Program of China (2015DFE52870) and and Self-determined and Innovative Research Funds of the SKLWUT (2015‐ZD‐7). The authors also would like to thank Dr. Bin-Jie Wang from Shanghai Nanoport (FEI, Shanghai) for TEM analysis, and thank Hang Ping from Wuhan University of Technology for the TGA/DSC tests.This is the author accepted manuscript. The final version is available from the Royal Society of Chemistry via http://dx.doi.org/10.1039/C6TA00594

Cross-language differences in the brain network subserving intelligible speech

SIGNIFICANCE: Language processing is generally left hemisphere dominant. However, whether the interactions among the typical left hemispheric language regions differ across different languages is largely unknown. An ideal method to address this question is modeling cortical interactions across language groups, but this is usually constrained by the model space with the prior hypothesis due to massive computation demands. With cloud-computing, we used functional MRI dynamic causal modeling analysis to compare more than 4,000 models of cortical dynamics among critical language regions in the temporal and frontal cortex, established the bias-free information flow maps that were shared or specific for processing intelligible speech in Chinese and English, and revealed the neural dynamics between the left and right hemispheres in Chinese speech comprehension. ABSTRACT: How is language processed in the brain by native speakers of different languages? Is there one brain system for all languages or are different languages subserved by different brain systems? The first view emphasizes commonality, whereas the second emphasizes specificity. We investigated the cortical dynamics involved in processing two very diverse languages: a tonal language (Chinese) and a nontonal language (English). We used functional MRI and dynamic causal modeling analysis to compute and compare brain network models exhaustively with all possible connections among nodes of language regions in temporal and frontal cortex and found that the information flow from the posterior to anterior portions of the temporal cortex was commonly shared by Chinese and English speakers during speech comprehension, whereas the inferior frontal gyrus received neural signals from the left posterior portion of the temporal cortex in English speakers and from the bilateral anterior portion of the temporal cortex in Chinese speakers. Our results revealed that, although speech processing is largely carried out in the common left hemisphere classical language areas (Broca’s and Wernicke’s areas) and anterior temporal cortex, speech comprehension across different language groups depends on how these brain regions interact with each other. Moreover, the right anterior temporal cortex, which is crucial for tone processing, is equally important as its left homolog, the left anterior temporal cortex, in modulating the cortical dynamics in tone language comprehension. The current study pinpoints the importance of the bilateral anterior temporal cortex in language comprehension that is downplayed or even ignored by popular contemporary models of speech comprehension