Highly Unsaturated Binuclear Butadiene Iron Carbonyls: Quintet Spin States, Perpendicular Structures, Agostic Hydrogen Atoms, and Iron-Iron Multiple Bonds

The highly unsaturated binuclear butadiene iron carbonyls (C4H6)2Fe2(CO)n (n = 2, 1) have been examined using density functional theory. For (C4H6)2Fe2(CO)n (n = 2, 1), both coaxial and perpendicular structures are found. The global minima of (C4H6)2Fe2(CO)n (n = 2, 1) are the perpendicular structures 2Q-1 and 1Q-1, respectively, with 17- and 15-electron configurations for the iron atoms leading to quintet spin states. The Fe=Fe distance of 2.361 Å (M06-L) in the (C4H6)2Fe2(CO)2 structure 2Q-1 suggests a formal double bond. The Fe≡Fe bond distance in the (C4H6)2Fe2(CO) structure 1Q-1 is even shorter at 2.273 Å (M06-L), suggesting a triple bond. Higher energy (C4H6)2Fe2(CO)n (n = 2, 1) structures include structures in which a bridging butadiene ligand is bonded to one of the iron atoms as a tetrahapto ligand and to the other iron atom through two agostic hydrogen atoms from the end CH2 groups. Singlet (C4H6)2Fe2(CO) structures with formal Fe–Fe quadruple bonds of lengths ∼2.05 Å were also found but at very high energies (∼47 kcal/mol) relative to the global minimum

Detecting change in the Indonesian Seas

© The Author(s), 2019. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Sprintall, J., Gordon, A. L., Wijffels, S. E., Feng, M., Hu, S., Koch-Larrouy, A., Phillips, H., Nugroho, D., Napitu, A., Pujiana, K., Susanto, R. D., Sloyan, B., Yuan, D., Riama, N. F., Siswanto, S., Kuswardani, A., Arifin, Z., Wahyudi, A. J., Zhou, H., Nagai, T., Ansong, J. K., Bourdalle-Badie, R., Chanuts, J., Lyard, F., Arbic, B. K., Ramdhani, A., & Setiawan, A. Detecting change in the Indonesian Seas. Frontiers in Marine Science, 6, (2019):257, doi:10.3389/fmars.2019.00257.The Indonesian seas play a fundamental role in the coupled ocean and climate system with the Indonesian Throughflow (ITF) providing the only tropical pathway connecting the global oceans. Pacific warm pool waters passing through the Indonesian seas are cooled and freshened by strong air-sea fluxes and mixing from internal tides to form a unique water mass that can be tracked across the Indian Ocean basin and beyond. The Indonesian seas lie at the climatological center of the atmospheric deep convection associated with the ascending branch of the Walker Circulation. Regional SST variations cause changes in the surface winds that can shift the center of atmospheric deep convection, subsequently altering the precipitation and ocean circulation patterns within the entire Indo-Pacific region. Recent multi-decadal changes in the wind and buoyancy forcing over the tropical Indo-Pacific have directly affected the vertical profile, strength, and the heat and freshwater transports of the ITF. These changes influence the large-scale sea level, SST, precipitation and wind patterns. Observing long-term changes in mass, heat and freshwater within the Indonesian seas is central to understanding the variability and predictability of the global coupled climate system. Although substantial progress has been made over the past decade in measuring and modeling the physical and biogeochemical variability within the Indonesian seas, large uncertainties remain. A comprehensive strategy is needed for measuring the temporal and spatial scales of variability that govern the various water mass transport streams of the ITF, its connection with the circulation and heat and freshwater inventories and associated air-sea fluxes of the regional and global oceans. This white paper puts forward the design of an observational array using multi-platforms combined with high-resolution models aimed at increasing our quantitative understanding of water mass transformation rates and advection within the Indonesian seas and their impacts on the air-sea climate system. IntroductionJS acknowledges funding to support her effort by the National Science Foundation under Grant Number OCE-1736285 and NOAA’s Climate Program Office, Climate Variability and Predictability Program under Award Number NA17OAR4310257. SH was supported by the National Natural Science Foundation of China (Grant 41776018) and the Key Research Program of Frontier Sciences, CAS (QYZDB-SSW-SYS023). HP acknowledges support from the Australian Government’s National Environmental Science Programme. HZ acknowledges support from National Science Foundation under Grant No. 41876009. RS was supported by National Science Foundation Grant No. OCE-07-25935; Office of Naval Research Grant No. N00014-08-01-0618 and National Aeronautics and Space Administration Grant No. 80NSSC18K0777. SW, MF, and BS were supported by Center for Southern Hemisphere Oceans Research (CSHOR), which is a joint initiative between the Qingdao National Laboratory for Marine Science and Technology (QNLM), CSIRO, University of New South Wales and University of Tasmania

Effect of the +781C/T polymorphism in the interleukin-8 gene on atherosclerotic cerebral infarction, and its interaction with smoking and drinking.

OBJECTIVE: The aims of this study were to investigate the association between the +781C/T polymorphism of interleukin-8 (IL-8) and atherosclerotic cerebral infarction and the interaction between the +781C/T polymorphism and smoking or drinking in cerebral infarction in the Han Chinese population. METHODS: We investigated the +781C/T polymorphism of IL-8 in 308 consecutive Han Chinese patients who were diagnosed with atherosclerotic cerebral infarction and in 294 age- and gender-matched healthy control subjects. The patients were classified using the Oxfordshire Community Stroke Project (OCSP) classification. The patients and subjects' histories of smoking and drinking were recorded, and atherosclerosis (AS) of the internal carotid artery (ICA) was evaluated in the patients. The +781C/T polymorphism was determined by polymerase chain reaction and restriction fragment length polymorphism (PCR-RFLP) analysis. RESULTS: The +781C/T polymorphism and allele frequencies were not significantly different between the patients and controls and were not significantly associated with the OCSP classifications. We found that the 781C allele was significantly associated with AS of the ICA in the patients (p = 0.017), and the CT genotype was more prevalent in patients without AS of the ICA (p = 0.035). No interactions were observed between the +781C/T polymorphism and smoking or drinking. CONCLUSION: Our results demonstrated that the +781C/T polymorphism of IL-8 did not play a role and had no interaction with smoking or drinking in the occurrence of cerebral infarction in the Han Chinese population. However, the C allele and the CT genotype might be associated with AS of the ICA in patients with ischemic stroke

Electrophoresis of PCR products of the samples and genotyping of the <i>IL</i>-8 +781C/T SNP.

<p>(A) <i>IL</i>-8 +781C/T SNP: lane M, 100 bp marker ladder, lanes 1–4, samples, the 203 bp bands are the PCR products. (B) genotyping of the <i>IL</i>-8 +781C/T SNP: lane M, 100 bp marker ladder; lanes 1 and 2, CT genotype (203-, 189- and 19-bp); lanes 3, TT genotype (203 bp); and lanes 4, CC genotype (184- and 19-bp). The 19 bp fragment was invisible in the gel owing to its fast migration speed.</p

Detecting Blood Methylation Signatures in Response to Childhood Cancer Radiotherapy via Machine Learning Methods

Radiotherapy is a helpful treatment for cancer, but it can also potentially cause changes in many molecules, resulting in adverse effects. Among these changes, the occurrence of abnormal DNA methylation patterns has alarmed scientists. To explore the influence of region-specific radiotherapy on blood DNA methylation, we designed a computational workflow by using machine learning methods that can identify crucial methylation alterations related to treatment exposure. Irrelevant methylation features from the DNA methylation profiles of 2052 childhood cancer survivors were excluded via the Boruta method, and the remaining features were ranked using the minimum redundancy maximum relevance method to generate feature lists. These feature lists were then fed into the incremental feature selection method, which uses a combination of deep forest, k-nearest neighbor, random forest, and decision tree to find the most important methylation signatures and build the best classifiers and classification rules. Several methylation signatures and rules have been discovered and confirmed, allowing for a better understanding of methylation patterns in response to different treatment exposures

Yellowfin Tuna (Thunnusalbacares) Fishing Ground Forecasting Model Based On Bayes Classifier In The South China Sea

Using the yellowfin tuna (Thunnusalbacares,YFT)longline fishing catch data in the open South China Sea (SCS) provided by WCPFC, the optimum interpolation sea surface temperature (OISST) from CPC/NOAA and multi-satellites altimetric monthly averaged product sea surface height (SSH) released by CNES, eight alternative options based on Bayes classifier were made in this paper according to different strategies on the choice of environment factors and the levels of fishing zones to classify the YFT fishing ground in the open SCS. The classification results were compared with the actual ones for validation and analyzed to know how different plans impact on classification results and precision. The results of validation showed that the precision of the eight options were 71.4%, 75%, 70.8%, 74.4%, 66.7%, 68.5%, 57.7% and 63.7% in sequence, the first to sixth among them above 65% would meet the practical application needs basically. The alternatives which use SST and SSH simultaneously as the environmental factors have higher precision than which only use single SST environmental factor, and the consideration of adding SSH can improve the model precision to a certain extent. The options which use CPUE’s mean ± standard deviation as threshold have higher precision than which use CPUE’s 33.3%-quantile and 66.7%-quantile as the threshol

Parallel vacuum arc discharge with microhollow array dielectric and anode

An electrode configuration with microhollow array dielectric and anode was developed to obtain parallel vacuum arc discharge. Compared with the conventional electrodes, more than 10 parallel microhollow discharges were ignited for the new configuration, which increased the discharge area significantly and made the cathode eroded more uniformly. The vacuum discharge channel number could be increased effectively by decreasing the distances between holes or increasing the arc current. Experimental results revealed that plasmas ejected from the adjacent hollow and the relatively high arc voltage were two key factors leading to the parallel discharge. The characteristics of plasmas in the microhollow were investigated as well. The spectral line intensity and electron density of plasmas in microhollow increased obviously with the decease of the microhollow diameter