bluuebunny/crossref_metadata_2025 huggingface dataset:
A retrospective cohort study evaluating healthcare resource utilization in patients with asthma in Japan
Authors: Inoue Hiromasa , Kozawa Masanari , Milligan Ki Lee , Funakubo Minako , Igarashi Ataru , Loefroth Emil
Published: April 2019

Although the global economic burden of asthma is well described, detailed data regarding Asia, particularly for Japan, are relatively scarce. This retrospective study aims to fill this evidence gap by evaluating asthma-associated healthcare resource utilization (HCRU) and economic burden in Japanese patients aged ≥16 years, identified using anonymized patient data from the Japan Medical Data Center (JMDC) database from April 2009 to March 2015. Asthma severity was classified according to asthma treatment guidelines from the Japanese Society of Allergology. HCRU was calculated based on hospitalizations, emergency room visits, outpatient visits, and prescriptions. Incidence rate ratios (IRRs) for HCRU and per-patient-per-year direct costs were reported. In addition, differences across HCRU and cost variables for severe versus non-severe asthma patients were also compared. Of 541,434 asthma cases identified from the JMDC database during the study period, 54,433 patients who met the inclusion criteria were included in this analysis. HCRU and costs were heavily concentrated within severe asthma, a subgroup comprising 12.7% of total study population. Moreover, patients with severe asthma had significantly higher all-cause hospitalizations, outpatient visits, outpatient prescriptions (IRR [95% CI], 1.60 [1.46–1.76]; 1.43 [1.41–1.45]; 1.24 [1.22–1.25], respectively), and total medical costs (mean ± SD costs, US$ 4345 ± 11,104 versus US$ 1528 ± 3989, P < 0.001 (t-test); US$ 1 = 110 JPY) compared with those with non-severe asthma. The burden of asthma is significantly and disproportionately concentrated in Japanese severe asthma patients, suggesting clinical failure to achieve adequate disease control. This study highlights the unmet needs for severe asthma in Japan and provides a catalyst for important dialogues in advancing public health.
An Efficient and Chemistry Independent Analysis to Quantify Resistive and Capacitive Loss Contributions to Battery Degradation
Authors: Bharathraj S. , Adiga S. P. , Patil R. S. , Mayya K. S. , Song T. , Sung Y.
Published: April 2019

Degradation mechanisms leading to deterioration in the battery performance is an inevitable phenomenon. Although there are detailed physics and equivalent circuit based models to predict the losses incurred due to degradation in estimating the health of the battery, they are either incomplete, computationally expensive or both. In this study, we present a very simple and elegant, chemistry independent mathematical analysis, which accurately calculates resistive and capacitive components of cycle-life related losses in a battery system. We demonstrate that discharge profiles obtained at any given degradation state of the battery can be represented by an analytical function, with its origin lying at the heart of battery dynamics, using simple parameter fitting. The model parameters relate to the battery electrochemical potential, resistance and capacity. We first validate our protocol using simulated cycling data from a degrading lithium-ion battery system modeled with detailed electrochemical thermal calculations and show that the estimates of capacity and power fades are >99% accurate using our method. Further, we construct a unique phase space plot of normalized energy, power that gives a compact representation of quantitative and qualitative trend of the degradation state of the system, as well as available power and energy.
Ammonia Volatilization Loss and Corn Nitrogen Nutrition and Productivity with Efficiency Enhanced UAN and Urea under No-tillage
Authors: Liu Shuangli , Wang Xiaohui , Yin Xinhua , Savoy Hubert J. , McClure Angela , Essington Michael E.
Published: April 2019

New urease and nitrification inhibitors and polymer coatings were introduced in recent years, but their effects on N loss and plant N nutrition were scarcely examined in agronomic no-tillage production systems. A field experiment of urea treated with efficiency enhancers was conducted on no-tillage corn (Zea mays L.) in Tennessee, the USA during 2013–2015. A field experiment on urea and ammonium nitrate (UAN) treated with efficiency enhancers was carried out on no-tillage corn in Tennessee in 2014 and 2015. Urea treated with N-(n-butyl) thiophosphoric triamide (NBPT) at concentrations of 20% (NBPT1), 26.7% (NBPT2), or 30% (NBPT3) and polymer coated urea (PCU) were effective but maleic-itaconic copolymer treated urea was ineffective in reducing ammonia volatilization loss and improving N nutrition, grain yield, and N agronomic use efficiency of corn compared with untreated urea. Specifically, NBPT1, NBPT2, or NBPT3 treated urea and PCU reduced the total ammonia volatilization loss by 29.1–78.8%, 35.4–81.9%, 77.3–87.4%, and 59.1–83.3% during the 20 days after N applications, but increased grain yield by 15.6–31.4%, 12.9–34.8%, 18.7–19.9%, and 14.6–41.1%, respectively. The inhibitory effect of NBPT on ammonia volatilization did not improve with NBPT concentration increased from 20% to 30%. UAN treated with NBPT3 or a combination of urease and nitrification inhibitors resulted in 16.5–16.6% higher corn yield than untreated UAN only when they were surface applied. In conclusion, when urea-containing fertilizers are surface applied without any incorporation into the soil under no-tillage, their use efficiencies and performances on corn can be enhanced with an effective urease inhibitor in areas and years with noticeable urea N losses.
A mode of CVVH with regional citrate anticoagulation compared to no anticoagulation for acute kidney injury patients at high risk of bleeding
Authors: Gao Jianping , Wang Feng , Wang Yonggang , Jin Dan , Tang Liping , Pan Konghan
Published: April 2019

The study was designed to assess a practical mode of postdilution continuous venovenous hemofiltration (CVVH) with regional citrate anticoagulation (RCA) using a calcium-containing replacement solution, and to compare it with a CVVH mode with no anticoagulation (NA). Both methods were employed in our center for acute kidney injury (AKI) patients at high risk of bleeding. Fifty-six patients were equally allocated into the RCA-CVVH group and the NA-CVVH group. The study displayed no significant differences between groups involving baseline characteristics, severity level, blood gas analysis, hepatic/renal/coagulative functions, electrolytes, hemoglobin concentration, and platelet counts before or after continuous renal replacement therapy (CRRT). Compared to the NA-CVVH group, the RCA-CVVH group had a lower level of transfused packed red blood cells and platelet as well as a longer filter lifespan. The result showed no substantial differences between groups in terms of the mean supporting time and cost involving CRRT per person, the length of ICU and hospital stays, and the ICU survival. Homeostasis was basically preserved at a target range during the RCA post-CVVH procedure. Serious complications did not arise during the RCA process. RCA postdilutional CVVH is a safe and effective mode for application in AKI patients with a high risk of bleeding, and it can extend the filter lifespan and decrease blood loss, compared with the NA mode for CRRT. Further studies are needed to evaluate this mode for CRRT. (Retrospective Registration number ChiCTR1800016462, Registration date 2/6/2018)
Decomposition and oxidation of methionine and tryptophan following irradiation with a nonequilibrium plasma jet and applications for killing cancer cells
Authors: Uchida Giichiro , Mino Yusuke , Suzuki Tensho , Ikeda Jun-ichiro , Suzuki Takashi , Takenaka Kosuke , Setsuhara Yuichi
Published: April 2019

We present evidence for the decomposition and oxidation of amino acids in aqueous solution following irradiation with a nonequilibrium plasma jet. Of 15 amino acids tested in cell culture medium, plasma irradiation induced a marked chemical change in methionine and tryptophan due to the effective production of reactive oxygen species by plasma-water interaction. We also report that plasma-treated methionine and tryptophan aqueous solutions can kill cancer cells, greatly decreasing the viability of human endometrial carcinoma (HEC-1) cancer cells due to the presence of decomposition or oxidation products generated from the amino acid. Plasma-treated methionine and tryptophan aqueous solutions also induced an anti-cancer effect on cancer-initiating cells.
Downregulation of CYB5D2 is associated with breast cancer progression
Authors: Ojo Diane , Rodriguez David , Wei Fengxiang , Bane Anita , Tang Damu
Published: April 2019

We report here that CYB5D2 is associated with tumor suppression function in breast cancer (BC). CYB5D2 expression was significantly reduced in tamoxifen resistant MCF7 cells and in MCF7 cell-derived xenografts treated with TAM. CYB5D2 overexpression induced apoptosis in MCF7 cells; CYB5D2 knockdown enhanced MCF7 cell proliferation. Using the TCGA and Curtis datasets within the Oncomine database, CYB5D2 mRNA expression was downregulated in primary BCs vs breast tissues and HER2-positive or triple negative BCs vs estrogen receptor (ER)-positive BCs. Using the TCGA and Metabric datasets (n = 817 and n = 2509) within cBioPortal, 660 and 4891 differentially expressed genes (DEGs) in relation to CYB5D2 were identified. These DEGs were enriched in pathways governing cell cycle progression, progesterone-derived oocyte maturation, oocyte-meiosis, estrogen-mediated S-phase entry, and DNA metabolism. CYB5D2 downregulation decreased overall survival (OS, p = 0.0408). A CYB5D2-derived 21-gene signature was constructed and robustly correlated with OS shortening (p = 5.72e-12), and independently predicted BC deaths (HR = 1.28; 95% CI 1.08–1.52; p = 0.004) once adjusting for known clinical factors. CYB5D2 reductions displayed relationship with mutations in PIK3CA, GATA3, MAP3K1, CDH1, TP53 and RB1. Impressively, 85% (560/659) of TP53 mutations occurred in the 21-gene signature-positive BC. Collectively, we provide the first evidence that CYB5D2 is a candidate tumor suppressor of BC.
Cortical circuit alterations precede motor impairments in Huntington’s disease mice
Authors: Burgold Johanna , Schulz-Trieglaff Elena Katharina , Voelkl Kerstin , Gutiérrez-Ángel Sara , Bader Jakob Maximilian , Hosp Fabian , Mann Matthias , Arzberger Thomas , Klein Rüdiger , Liebscher Sabine , Dudanova Irina
Published: April 2019

Huntington’s disease (HD) is a devastating hereditary movement disorder, characterized by degeneration of neurons in the striatum and cortex. Studies in human patients and mouse HD models suggest that disturbances of neuronal function in the neocortex play an important role in disease onset and progression. However, the precise nature and time course of cortical alterations in HD have remained elusive. Here, we use chronicin vivotwo-photon calcium imaging to longitudinally monitor the activity of identified single neurons in layer 2/3 of the primary motor cortex in awake, behaving R6/2 transgenic HD mice and wildtype littermates. R6/2 mice show age-dependent changes in cortical network function, with an increase in activity that affects a large fraction of cells and occurs rather abruptly within one week, preceeding the onset of motor defects. Furthermore, quantitative proteomics demonstrate a pronounced downregulation of synaptic proteins in the cortex, and histological analyses in R6/2 mice and human HD autopsy cases reveal a reduction in perisomatic inhibitory synaptic contacts on layer 2/3 pyramidal cells. Taken together, our study provides a time-resolved description of cortical network dysfunction in behaving HD mice and points to disturbed excitation/inhibition balance as an important pathomechanism in HD.
Remote underwater video reveals higher fish diversity and abundance in seagrass meadows, and habitat differences in trophic interactions
Authors: Zarco-Perello Salvador , Enríquez Susana
Published: April 2019

Seagrass meadows play a key ecological role as nursery and feeding grounds for multiple fish species. Underwater Visual Census (UVC) has been historically used as the non-extractive method to characterize seagrass fish communities, however, less intrusive methodologies such as Remote Underwater Video (RUV) are gaining interest and could be particularly useful for seagrass habitats, where juvenile fish camouflage among the vegetation and could easily hide or flee from divers. Here we compared the performance of UVC and RUV methodologies in assessing the fish communities of two seagrass meadows with low and high canopy density. We found that RUV detected more species and fish individuals than UVC, particularly on the habitat with higher seagrass density, which sheltered more juveniles, especially herbivorous, and adult piscivorous of commercial importance, evidencing significant differences in energy flow from macrophytes to predators between seagrass habitats, and also differences in the ecosystem services they can provide. Considering the ongoing worldwide degradation of seagrass ecosystems, our results strongly suggest that fish surveys using RUV in ecologic and fisheries programs would render more accurate information and would be more adequate to inform the conservation planning of seagrass meadows around the world.
The inflammation-reducing compatible solute ectoine does not impair the cytotoxic effect of ionizing radiation on head and neck cancer cells
Authors: Rieckmann Thorsten , Gatzemeier Fruzsina , Christiansen Sabrina , Rothkamm Kai , Münscher Adrian
Published: April 2019

Ectoine is a natural protectant expressed by halophile bacteria to resist challenges of their natural environments, such as drought, heat or high salt concentrations. As a compatible solute, ectoine does not interfere with the cell’s metabolism even at high molar concentrations. External application of ectoine results in surface hydration and membrane stabilization. It can reduce inflammation processes and was recently tested in a pilot study for the prevention and treatment of chemotherapy-induced oral mucositis. Oral mucositis is especially frequent and severe in patients with head and neck squamous cell carcinoma (HNSCC), who receive radiotherapy or chemoradiation. It is extremely painful, can limit nutritional intake and may necessitate treatment interruptions, which can critically compromise outcome. As it was recently reported that in vitro ectoine has the ability to protect DNA against ionizing irradiation, it was the aim of this study to test whether ectoine may protect HNSCC cells from radiotherapy. Using HNSCC cell lines and primary human fibroblasts, we can show that in living cells ectoine does not impair DNA damage induction and cytotoxicity through ionizing radiation. We therefore conclude that testing the ectopic application of ectoine for its ability to alleviate early radiotherapy/chemoradiation-induced side effects is safe and feasible.
Vines avoid coiling around neighbouring plants infested by polyphagous mites
Authors: Nakai Tomoya , Yano Shuichi
Published: April 2019

Vines that coil around plants heavily infested with ambulate polyphagous mites can be heavily damaged by the mites. To explore whether vines avoid mite-infested plants, we observed the coiling responses of morning glory (Ipomoea nil var. Heavenly Blue) vines and bush killer (Cayratia japonica (Thunb) Gagnep) tendrils around nearby kidney bean (Phaseolus vulgaris L.) plants that were either uninfested or heavily infested with the two-spotted spider mite (Tetranychus urticae Koch). The proportions of I. nil vines that coiled around spider mite-infested and uninfested bean plants did not differ significantly; however, no C. japonica tendril coiled around spider mite-infested plants. The proportion of such tendrils was thus significantly lower than that around uninfested plants. The ability of C. japonica tendrils to avoid spider mite-infested plants would prevent serious “contact infections” by mites. We further found that tendril avoidance seemed to be attributable to the mite webs that covered infested plants; neither spider mite-induced bean volatiles nor spider mite intrusion onto tendrils seemed to explain the avoidance.
The material properties of naked mole-rat hyaluronan
Authors: Kulaberoglu Yavuz , Bhushan Bharat , Hadi Fazal , Chakrabarti Sampurna , Khaled Walid T. , Rankin Kenneth S. , Smith Ewan St. John , Frankel Daniel
Published: April 2019

Hyaluronan (HA) is a key component of the extracellular matrix. Given the fundamental role of HA in the cancer resistance of the naked mole-rat (NMR), we undertook to explore the structural and soft matter properties of this species-specific variant, a necessary step for its development as a biomaterial. We examined HA extracted from NMR brain, lung, and skin, as well as that isolated from the medium of immortalised cells. In common with mouse HA, NMR HA forms a range of assemblies corresponding to a wide distribution of molecular weights. However, unique to the NMR, are highly folded structures, whose characteristic morphology is dependent on the tissue type. Skin HA forms tightly packed assemblies that have spring-like mechanical properties in addition to a strong affinity for water. Brain HA forms three dimensional folded structures similar to the macroscopic appearance of the gyri and sulci of the human brain. Lung HA forms an impenetrable mesh of interwoven folds in a morphology that can only be described as resembling a snowman. Unlike HA that is commercially available, NMR HA readily forms robust gels without the need for chemical cross-linking. NMR HA gels sharply transition from viscoelastic to elastic like properties upon dehydration or repeated loading. In addition, NMR HA can form ordered thin films with an underlying semi-crystalline structure. Given the role of HA in maintaining hydration in the skin it is plausible that the folded structures contribute to both the elasticity and youthfulness of NMR skin. It is also possible that such densely folded materials could present a considerable barrier to cell invasion throughout the tissues, a useful characteristic for a biomaterial.
Transformation from Quantum to Classical Mode: the Size Effect of Plasmon in 2D Atomic Cluster System
Authors: Wu Reng-lai , Quan Jun , Tian Chunhua , Sun Mengtao
Published: April 2019

On the basis of tight-binding approximation, the energy absorption of 2D atomic clusters is calculated by the linear response theory. Through the energy-absorption peaks in the presence of different external potentials, various types of plasmon modes are specified in clusters with dozens to hundreds atoms, such as transverse dipole plasmon, longitudinal dipole plasmon, transverse quadrupole plasmon, and longitudinal quadrupole plasmon. Moreover, the transformation of plasmon from quantum to classical mode is observed in clusters with different shape and different electron density. The particular transformation process demonstrate that: there are only a few modes of plasmon in clusters with few-atoms; as the number of atoms in cluster is increased, the number of plasmon modes increases, the gaps between plasmon frequencies become smaller, the quantum modes of plasmon gradually evolve into continuous modes, and the dispersion of quantum-mode plasmon gradually transforms into the one of classical 2D plasmon. Such process reveals the size effect of plasmon in 2D clusters, which can be explained by the fact that the energy levels near the Fermi energy are denser and more compact in larger-size clusters.
Designs of continuous-flow pharmaceutical crystallizers: developments and practice
Authors: Jiang Mo , Braatz Richard D.
Published: April 2019

This review of recent research advances in continuous-flow crystallization includes a five-step general design procedure, generally applicable process intensification strategies, and practical insights.
Combined static and dynamic intramicellar fluorescence quenching: effects on stationary and time-resolved Stern–Volmer experiments
Authors: Kohlmann Tim , Goez Martin
Published: April 2019

It ain’t necessarily so—existing theories of combined quenching in micelles are flawed. We derive a consistent model, analyze its properties, and apply it to obtain information on ground-state complexes between fluorophore F and quencher Q.
Viscoelastic lyotropic liquid crystals formed in a bio-based trimeric surfactant system
Authors: Wang Danping , Feng Lin , Song Binglei , Pei Xiaomei , Cui Zhenggang , Xie Danhua
Published: April 2019

A bio-based trimeric surfactant containing rigid hydrophobic groups can effectively induce the formation of lamellar LLCs with shear banding behaviour.
Temperature and solvent isotope dependent hierarchical self-assembly of a heterografted block copolymer
Authors: Dai Wenxue , Zhu Xiaomin , Zhang Jian , Zhao Youliang
Published: April 2019

Push reversible transitions to the limit! Upon heating, 6–8 kinds of distinct nano-object morphologies can be achieved by H2O/D2O-mediated hierarchical self-assembly.
Structural tuning of zinc–porphyrin frameworks via auxiliary nitrogen-containing ligands towards selective adsorption of cationic dyes
Authors: Wang Xiao-Ning , Li Jiang-Li , Zhao Yu-Meng , Pang Jiandong , Li Bao , Zhang Tian-Le , Zhou Hong-Cai
Published: April 2019

Three novel zinc–porphyrin MOFs have been synthesized by using versatile N-containing ligands. The open Watson–Crick pair in the interior surface in one Zn-MOF has been presented, which could endow the related MOF with excellent selective adsorption of dye molecules.
Orthorhombic distortion in Au nanoparticles induced by high pressure
Authors: Mendoza-Cruz Rubén , Parajuli Prakash , Ojeda-Galván H. Joazet , Rodríguez Ángel Gabriel , Navarro-Contreras Hugo R. , Velázquez-Salazar J. Jesús , Bazán-Díaz Lourdes , José-Yacamán Miguel
Published: April 2019

A shape-dependent orthorhombic lattice distortion is induced in Au nanoparticles below 12 GPa in a DAC.
Enhanced proton conductivity of a MOF-808 framework through anchoring organic acids to the zirconium clusters by post-synthetic modification
Authors: Meng Xing , Wang Hai-Ning , Wang Lu-Song , Zou Yan-Hong , Zhou Zi-Yan
Published: April 2019

Modified frameworks MOF-808-EDTA/OX show better proton-conduction behaviours, and conductivity is firstly tuned by modifying the metal clusters via a post-synthetic modification method.
Control of crystallographic phases and surface characterization of intermetallic platinum tin nanoparticles
Authors: Erdt Alexandra J. , Gutsche Christian , Fittschen Ursula E. A. , Borchert Holger , Parisi Jürgen , Kolny-Olesiak Joanna
Published: April 2019

Colloidal synthesis and characterization of intermetallic tin-rich platinum–tin nanoparticles with detailed surface characterization.
Room temperature synthesis of Mn-doped Cs3Pb6.48Cl16 perovskite nanocrystals with pure dopant emission and temperature-dependent photoluminescence
Authors: Bai Kun , Tan Rihui , Ke Bao , Xue Xiaogang , Zhao Jialong , Zou Bingsuo , Zeng Ruosheng
Published: April 2019

We report Mn-doped Cs3Pb6.48Cl16 nanocrystals with pure dopant emission synthesized at room temperature.
Response of adhesive polymer interfaces to repeated mechanical loading and the spatial variation of diffusion coefficient and stresses in a deforming polymer film
Authors: Jose Jeeno , Swaminathan Narasimhan
Published: April 2019

Chemical crosslinks significantly contribute to the interface strength, and help to better preserve the strength even after multiple mechanical loading cycles.
Blind spheres of paramagnetic dopants in solid state NMR
Authors: Li Wenyu , Zhang Qianyun , Joos Jonas J. , Smet Philippe F. , Schmedt auf der Günne Jörn
Published: April 2019

Paramagnetic dopants make the NMR spectroscopist go blind in a sphere around a paramagnetic ion. How big is the blind zone?
Foreign atom encapsulated Au12 golden cages for catalysis of CO oxidation
Authors: Zhou Si , Pei Wei , Du Qiuying , Zhao Jijun
Published: April 2019

Metal doped Au12 clusters have tunable catalytic activity for CO oxidation by M–Au bond order and d orbital center.
CeO2(111) electronic reducibility tuned by ultra-small supported bimetallic Pt–Cu clusters
Authors: Paz-Borbón Lauro Oliver , Buendía Fernando , Garzón Ignacio L. , Posada-Amarillas Alvaro , Illas Francesc , Li Jun
Published: April 2019

Controlling Ce4+to Ce3+electronic reducibility in a rare-earth binary oxide such as CeO2has enormous applications in heterogeneous catalysis, where a profound understanding of reactivity and selectivity at the atomic level is yet to be reached.
Enhancing the sensitivity of a Nd3+,Yb3+:YVO4 nanocrystalline luminescent thermometer by host sensitization
Authors: Marciniak L. , Bednarkiewicz A. , Trejgis K. , Maciejewska K. , Elzbieciak K. , Ledwa K.
Published: April 2019

Numerous methods are known to improve the relative temperature sensitivity of luminescent thermometers.
Understanding the structural and chemical changes in vertical graphene nanowalls upon plasma nitrogen ion implantation
Authors: Manojkumar P. A. , Krishna Nanda Gopala , Mangamma G. , Albert S. K.
Published: April 2019

Shallow plasma ion implantation is a versatile method for nitrogen incorporation in vertical graphene nanowalls (VGNs).
Influence of geometric isomerism on the binding of platinum anticancer agents with phospholipids
Authors: Gorle Anil K. , Zhang Junyong , Berners-Price Susan J. , Farrell Nicholas P.
Published: April 2019

A holistic approach to the molecular mechanism of platinum anti-cancer agents extends DNA interactions to membrane phospholipids relevant to cellular accumulation and delivery.
Palladium pincer complexes featuring an unsymmetrical SCN indene-based ligand with a hemilabile pyridine sidearm
Authors: Brunel Paul , Lhardy Chloé , Mallet-Ladeira Sonia , Monot Julien , Martin-Vaca Blanca , Bourissou Didier
Published: April 2019

Combining thiophosphinoyle and methylpyridine sidearms to endow hemilabile character to indenediide palladium pincer complexes.
Oxo-bridged trinuclear and tetranuclear manganese complexes supported with nitrogen donor ligands: syntheses, structures and properties
Authors: Bansal Deepak , Mondal Abhishake , Lakshminarasimhan N. , Gupta Rajeev
Published: April 2019

This work illustrates syntheses, structures, redox and magnetic properties as well as catalase activities of rare μ3-oxo bridged mixed-valent trinuclear MnIIMnIIIcomplexes (1and2) and a μ4-oxo bridged tetranuclear MnII4 complex (3) supported with nitrogen donor ligands.
Alkynylselenolatoalkylidynes (LnMC–Se–CCR) as building blocks for mixed metal/main-group extended frameworks
Authors: Frogley Benjamin J. , Genet Tobias L. , Hill Anthony F. , Onn Chee S.
Published: April 2019

The reactions of [W(CBr)(CO)2(Tp*)] (Tp* = hydrotris(3,5-dimethylpyrazol-1-yl)borate) with lithium alkynylselenolates LiSeCCR (R = SiMe3, SiiPr3, nBu, tBu, Ph, p-tolyl) afford the alkynylselenolatoalkylidyne complexes [W(CSeCCR)(CO)2(Tp*)].
A highly efficient and selective antitumor agent based on a glucoconjugated carbene platinum(ii) complex
Authors: Annunziata Alfonso , Cucciolito Maria Elena , Esposito Roberto , Imbimbo Paola , Petruk Ganna , Ferraro Giarita , Pinto Valerio , Tuzi Angela , Monti Daria Maria , Merlino Antonello , Ruffo Francesco
Published: April 2019

A Pt(ii) complex with a glucosylated carbene shows very high in vitro cytotoxicity and selectivity toward malignant cells.
Highly selective and low-temperature hydrothermal conversion of natural oils to fatty alcohols
Authors: Ali Arif , Li Bolong , Lu Yijian , Zhao Chen
Published: April 2019

In this contribution, we report a facile and green process for the quantitative transformation of natural oils, fatty esters, and fatty acids to fatty alcohols over N-modified carbon (N–C) supported RuSn catalysts in water at low temperatures (140–180 °C).
Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen
Authors: Atkinson Benjamin N. , Steadman David , Zhao Yuguang , Sipthorp James , Vecchia Luca , Ruza Reinis R. , Jeganathan Fiona , Lines Georgie , Frew Sarah , Monaghan Amy , Kjær Svend , Bictash Magda , Jones E. Yvonne , Fish Paul V.
Published: April 2019

Optimization of fragment hit 3 identified isoquinoline 45 as a potent inhibitor of NOTUM with an unexpected flipped binding mode.
Fabrication of a kinetically sprayed CuO ultra-thin film to evaluate CO gas sensing parameters
Authors: Choi Dahyun , Kim Hyojun , Son Minhee , Kim Hyungsub , Lee Hee Chul , Lee Caroline Sunyong
Published: April 2019

We have introduced a new fabrication process for a CO gas sensor using a kinetically sprayed Cu thin layer, followed by oxidation at 250 °C.
Structurally characterized one oxo–desoxo bridged Mo2–bis(dithiolene) complex and its interconversion to a discrete oxo or desoxo DMSOR model
Authors: Moula Golam , Bose Moumita , Sarkar Sabyasachi
Published: April 2019

The dissymmetric binuclear complex1acts as a precursor of the molybdoenzyme models of the dimethylsulfoxide reductase (DMSOR) class.
Fabrication of Fe3O4-based ternary magnetic microsphere catalysts based on supramolecular chemistry and their catalytic performance
Authors: Chen Yuan , Liu Wenjie , Zhou Jun , Chen Ming
Published: April 2019

In this paper, magnetic catalysts were successfully synthesized using host–guest chemistry and a self-assembly strategy.
Carbon nanotube bridges fabricated by laser comb
Authors: Wang Lei , Chi Xiannian , Sun Lianfeng , Liu Qian
Published: April 2019

Laser comb, a novel method to fabricate suspended carbon nanotubes.
Gold nanoparticle-doped three-dimensional reduced graphene hydrogel modified electrodes for amperometric determination of indole-3-acetic acid and salicylic acid
Authors: Cao Xiaodong , Zhu Xueting , He Shudong , Xu Xuan , Ye Yongkang , Gunasekaran Sundaram
Published: April 2019

Three-dimensional (3D) networked nanomaterials have attracted great interest because of their unique porous and 3D-networked structures.
A room-temperature interfacial approach towards iron/nitrogen co-doped fibrous porous carbons as electrocatalysts for the oxygen reduction reaction and Zn–Air batteries
Authors: Lu Chenbao , Zhang Jichao , Chen Zhenying , Jiang Kaiyue , Li Mingqiang , Zhang Fan , Tong Gangsheng , Zou Xiaoxin , Su Yuezeng , Zhuang Xiaodong
Published: April 2019

The development of nonprecious and efficient catalysts to boost the oxygen reduction reaction (ORR) is imperative.
Ni vs. Pd in Suzuki–Miyaura sp2–sp2 cross-coupling: a head-to-head study in a comparable precatalyst/ligand system
Authors: West Matthew J. , Watson Allan J. B.
Published: April 2019

A head-to-head study of comparable pre-catalysts in Suzuki–Miyaura cross-coupling.
Aryl–aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre
Authors: Kirschner Sven , Bao Song-Song , Fengel Melina K. , Bolte Michael , Lerner Hans-Wolfram , Wagner Matthias
Published: April 2019

An oxaboraphenanthrene is generated from a 9,10-dihydro-9,10-diboraanthracene through boron extrusion/C–C coupling upon addition of mesityl lithium and chromatographic workup.
Photocatalytic aerobic α-thiolation/annulation of carbonyls with mercaptobenzimidazoles
Authors: Ji Xiaochen , Tan Muyun , Fu Mei , Deng Guo-Jun , Huang Huawen
Published: April 2019

A concise aerobic photocatalysis using a blue LED combined with a Lewis acid has been developed to enable α-thiolation/annulation of carbonyls.
Modification of oligonucleotides with weak basic residues via the 2′-O-carbamoylethyl linker for improving nuclease resistance without loss of duplex stability and antisense activity
Authors: Masaki Yoshiaki , Yamamoto Keishi , Yoshida Keita , Maruyama Atsuya , Tomori Takahito , Iriyama Yusuke , Nakajima Hiroyuki , Kanaki Tatsuro , Seio Kohji
Published: April 2019

For the improvement of nuclease resistance, four kinds of new modifications through a carbamoylethyl linker were designed.
SO2F2 mediated transformation of pyrazolones into pyrazolyl fluorosulfates
Authors: Leng Jing , Qin Hua-Li
Published: April 2019

The construction of a class of novel N-heterocyclic molecules containing both pyrazole and fluorosulfate functionalities was achieved through the reactions of pyrazolones with SO2F2 in good to excellent yields.
An oxygen self-sufficient NIR-responsive nanosystem for enhanced PDT and chemotherapy against hypoxic tumors
Authors: Yang Guoliang , Tian Jia , Chen Chao , Jiang Dawei , Xue Yudong , Wang Chaochao , Gao Yun , Zhang Weian
Published: April 2019

An oxygen self-sufficient NIR-responsive nanoplatform enhances the efficiency of synergistic treatments between PDT and chemotherapy in hypoxic tumors.
Nucleophilic substitution reactions of cyclic thiosulfinates are accelerated by hyperconjugative interactions
Authors: Donnelly Daniel P. , Agar Jeffrey N. , Lopez Steven A.
Published: April 2019

Cyclic thiosulfinates are a class of biocompatible molecules, currently expanding our in vivo toolkit.
Crystallizing protein assembliesviafree and grafted linkers
Authors: Dahal Yuba Raj , Olvera de la Cruz Monica
Published: April 2019

Porous protein superlattices have plausible catalytic applications in biotechnology and nanotechnology.
Multi-functional regulator MapZ controls both positioning and timing of FtsZ polymerization
Authors: Feng Zhang , Zhang Jiahai , Xu Da , Jiang Yong-Liang , Zhou Cong-Zhao , Chen Yuxing
Published: April 2019

The tubulin-like GTPase protein FtsZ, which forms a discontinuous cytokinetic ring at mid-cell, is a central player to recruit the division machinery to orchestrate cell division. To guarantee the production of two identical daughter cells, the assembly of FtsZ, namely Z-ring, and its precise positioning should be finely regulated. In Streptococcus pneumoniae, the positioning of Z-ring at the division site is mediated by a bitopic membrane protein MapZ (mid-cell-anchored protein Z) through direct interactions between the intracellular domain (termed MapZ-N (the intracellular domain of MapZ)) and FtsZ. Using nuclear magnetic resonance titration experiments, we clearly assigned the key residues involved in the interactions. In the presence of MapZ-N, FtsZ gains a shortened activation delay, a lower critical concentration for polymerization and a higher cooperativity towards GTP hydrolysis. On the other hand, MapZ-N antagonizes the lateral interactions of single-stranded filaments of FtsZ, thus slows down the formation of highly bundled FtsZ polymers and eventually maintains FtsZ at a dynamic state. Altogether, we conclude that MapZ is not only an accelerator to trigger the polymerization of FtsZ, but also a brake to tune the velocity to form the end-product, FtsZ bundles. These findings suggest that MapZ is a multi-functional regulator towards FtsZ that controls both the precise positioning and proper timing of FtsZ polymerization.
Association of single nucleotide polymorphisms in the RAB5B gene 3′UTR region with polycystic ovary syndrome in Chinese Han women
Authors: Yu Jia , Ding Caifei , Guan Siqi , Wang Chenye
Published: April 2019

Objective: Previous genome-wide sequencing revealed that Ras-related protein Rab-5B (RAB5B) is a susceptible target in patients with polycystic ovary syndrome (PCOS).

Methods: Direct sequencing was performed to analyze the RAB5B gene rs1045435, rs11550558, rs34962186, rs705700, rs58717357, rs11171718, rs60028217, rs772920 loci genotypes in 300 PCOS patients and 300 healthy controls. The plasma microRNA (miRNA)-24, miR-320 levels were measured by reverse transcription fluorescent quantitative PCR (RT-qPCR).

Results: The risk of PCOS in C allele carriers of RAB5B gene rs1045435 locus was 3.91 times higher than that of G allele. The risk of PCOS in rs11550558 locus G allele was 4.09 times higher than A allele. The risk of PCOS in rs705700 locus C allele was 1.66 times greater than T allele. The risk of PCOS in rs11171718 locus A allele carrier was 3.84 times higher than G allele. The rs11550558 SNP was associated with PCOS risk only in those with age ≥ 31.1 years. And RAB5B gene rs11550558, rs1045435, and rs11171718 SNPs were significantly associated with PCOS risk only in subjects with BMI ≥ 23.8 kg/m2. We also found that the RAB5B gene rs1045435 SNP was associated with plasma miR-24 levels. The RAB5B gene rs11550558, rs705700, rs11171718 SNPs were correlated with plasma miR-230 levels.

Conclusion: The single nucleotide polymorphisms of the rs1045435, rs11550558, rs705700, and rs11171718 loci of the RAB5B gene are associated with PCOS risk. The rs1045435 locus is likely an miR-24 binding site, while rs11550558, rs705700, and rs11171718 loci may be miR-320 binding sites.
New type II Cepheids from VVV data towards the Galactic center
Authors: Braga V. F. , Contreras Ramos R. , Minniti D. , Ferreira Lopes C. E. , Catelan M. , Minniti J. H. , Nikzat F. , Zoccali M.
Published: April 2019

Context. The Galactic center (GC) is the densest region of the Milky Way. Variability surveys towards the GC potentially provide the largest number of variable stars per square degree within the Galaxy. However, high stellar density is also a drawback due to blending. Moreover, the GC is affected by extreme reddening, therefore near infrared observations are needed.

Aims. We plan to detect new variable stars towards the GC, focusing on type II Cepheids (T2Cs) which have the advantage of being brighter than RR Lyrae stars.

Methods. We perform parallel Lomb-Scargle and Generalized Lomb-Scargle periodogram analysis of the Ks-band time series of the VISTA variables in the Vía Láctea survey, to detect periodicities. We employ statistical parameters to clean our sample. We take account of periods, light amplitudes, distances, and proper motions to provide a classification of the candidate variables.

Results. We detected 1019 periodic variable stars, of which 164 are T2Cs, 210 are Miras and 3 are classical Cepheids. We also found the first anomalous Cepheid in this region. We compare their photometric properties with overlapping catalogs and discuss their properties on the color-magnitude and Bailey diagrams.

Conclusions. We present the most extensive catalog of T2Cs in the GC region to date. Offsets in E(J − Ks) and in the reddening law cause very large (∼1–2 kpc) uncertainties on distances in this region. We provide a catalog which will be the starting point for future spectroscopic surveys in the innermost regions of the Galaxy.
High-energy ion impacts into the sulfur-bearing ice surface of Europa: an atomistic study of chemical transformations
Authors: Anders Christian , Urbassek Herbert M.
Published: April 2019

Context.The ice surface of Europa is unique due to its high concentration of sulfur compounds such as SO4, SO2, and H2S. Energetic ion impacts originating from the magnetosphere of Jupiter may alter the composition of the ice surface.

Aims.We explore the chemical alteration of the surface due to a 20 MeV sulfur ion impact, for which the most pronounced effects are expected, and monitor the chemical transformations occurring inside the ice.

Methods.Molecular dynamics simulations are used based on a reactive (REAX) potential, which allows for the molecular breakups and the ensuing reactions to be followed on an atomistic scale.

Results.We observe dissociation of SO4and also a loss of SO2, while SO3is created; this is in qualitative agreement with laboratory experiments. Hydrolysis of water leads to abundant formation of H+, H3O+and OH−; in addition, we predict the presence of both sulfurous acid, H2SO3, and sulfuric acid, H2SO4, as well as traces of carbonic acid, H2CO3. The irradiation produces H2and O2, which are free to escape from the surface, in agreement with the tenuous Europa atmosphere detected.

Conclusions.Since magnetospheric sulfur ions have a high mass and may possess large energies, they provide a unique source of high energy deposition in the ice surface of Europa leading to abundant radiolysis fragments and products. In addition, sulfur compounds existing in the ice are chemically transformed, for example, by sulfite formation.
Solving a Bernoulli type free boundary problem with random diffusion
Authors: Brügger Rahel , Croce Roberto , Harbrecht Helmut
Published: April 2019

The present article is concerned with the numerical solution of a free boundary problem for an elliptic state equation with random diffusion. The domain under consideration is represented by a level set function which is evolved by the objective’s shape gradient. The state is computed by the finite element method, where the underlying triangulation is constructed by means of a marching cubes algorithm. The high-dimensional integral, which is induced by the random diffusion, is approximated by the quasi-Monte Carlo method. By numerical experiments, we validate the feasibility of the approach.
Mechanistic Links between Non-Coding RNAs and Myeloid Cell Inflammation in Atherosclerosis
Authors: Paloschi Valentina , Winter Hanna , Viola Joana , Soehnlein Oliver , Maegdefessel Lars
Published: April 2019

Inflammation plays a pivotal role in the chronicity of atherosclerotic lesion development and progression. Myeloid cells are involved in all stages of atherosclerosis development: they contribute in early phases to endothelial dysfunction and create a pro-inflammatory environment responsible for disease progression. Numerous studies over the last decade have repeatedly provided evidence for the crucial importance for different classes of non-coding ribonucleic acids (RNAs) in regulating gene expression, as well as messenger RNA and protein stability. Functional studies using tools to either over-express or inhibit these non-coding RNAs showcased strong effects on tempering vascular inflammation and atherosclerosis progression. With this current review article, we want to discuss prominent examples of non-coding RNAs, being either produced by myeloid cells or affecting their recruitment and activity in the context of vascular inflammation, atherosclerosis and consequential diseases (such as myocardial infarction and stroke). All of the discussed transcripts were thoroughly studied in mechanistic explorations, indicating that they have the capability to modulate inflammatory cascades in the vasculature during disease exacerbation.
Hemostatic Genes Exhibit a High Degree of Allele-Specific Regulation in Liver
Authors: Olsson Lindvall Martina , Hansson Lena , Klasson Sofia , Davila Lopez Marcela , Jern Christina , Stanne Tara M.
Published: April 2019

Objective Elucidating the genetic basis underlying hepatic hemostatic gene expression variability may contribute to unraveling genetic factors contributing to thrombotic or bleeding disorders. We aimed to identify novel cis-regulatory variants involved in regulating hemostatic genes by analyzing allele-specific expression (ASE) in human liver samples.

Study Design Biopsies of human liver tissue and blood were collected from adults undergoing liver surgery at the Sahlgrenska University Hospital (n = 20). Genomic deoxyribonucleic acid (gDNA) and total ribonucleic acid (RNA) were isolated. A targeted approach was used to enrich and sequence 35 hemostatic genes for single nucleotide polymorphism (SNP) analysis (gDNAseq) and construct individualized genomes for transcript alignment. The allelic ratio of transcripts from targeted RNAseq was determined via ASE analysis. Public expression quantitative trait loci (eQTL) and genome-wide association study (GWAS) data were used to assess novelty and importance of the ASE SNPs (and proxies, r
2 ≥ 0.8) for relevant traits/diseases.

Results Sixty percent of the genes studied showed allelic imbalance across 53 SNPs. Of these, 7 SNPs were previously validated in liver eQTL studies. For 32 with eQTLs in other cell/tissue types, this is the first time genotype-specific expression is demonstrated in liver, and for 14 ASE SNPs, this is the first ever reported genotype–expression association. A total of 29 ASE SNPs were previously associated with the respective plasma protein levels and 17 ASE SNPs to other relevant GWAS traits including venous thromboembolism, coronary artery disease, and stroke.

Conclusion Our study provides a comprehensive ASE analysis of hemostatic genes and insights into the regulation of hemostatic genes in human liver.
Linear chains of hydrogen molecules under pressure: An extreme-pressure continuum model study
Authors: Cammi Roberto
Published: April 2019

New analytical gradients of the electronic energy of a confined molecular system within the extreme-pressure continuum model are presented and applied to the study of the equilibrium geometries of linear chains of hydrogen molecules nH2 under pressures. The decrease in inter- and intramolecular H–H distances with the increase in the pressure has been studied up to 80 GPa. We have also shown that the compression of the bond-lengths can be interpreted in terms of the effect of the confining potential of the electron density of the molecular systems.
A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states
Authors: Dutta Achintya Kumar , Saitow Masaaki , Demoulin Baptiste , Neese Frank , Izsák Róbert
Published: April 2019

This work describes a domain-based local pair natural orbital (DLPNO) implementation of the equation of motion coupled cluster method for the computation of electron affinities (EAs) including single and double excitations. Similar to our earlier work on ionization potentials (IPs), the method reported in this study uses the ground state DLPNO framework and extends it to the electron attachment problem. While full linear scaling could not be achieved as in the IP case, leaving the Fock/Koopmans’ contributions in the canonical basis and using a tighter threshold for singles PNOs allows us to compute accurate EAs and retain most of the efficiency of the DLPNO technique. Thus as in the IP case, the ground state truncation parameters are sufficient to control the accuracy of the computed EA values, although a new set of integrals for singles PNOs must be generated at the DLPNO integral transformation step. Using standard settings, our method reproduces the canonical results with a maximum absolute deviation of 49 meV for bound states of a test set of 24 molecules. Using the same settings, a calculation involving more than 4500 basis functions, including diffuse functions, takes four days on four cores, with only 48 min spent in the EA module itself.
Noise-induced chaos and signal detection by the nonisochronous Hopf oscillator
Authors: Faber Justin , Bozovic Dolores
Published: April 2019

The Hopf oscillator has been shown to capture many phenomena of the auditory and vestibular systems. These systems exhibit remarkable temporal resolution and sensitivity to weak signals, as they are able to detect sounds that induce motion in the angstrom regime. In the present work, we find the analytic response function of a nonisochronous Hopf oscillator to a step stimulus and show that the system is most sensitive in the regime where noise induces chaotic dynamics. We show that this regime also provides a faster response and enhanced temporal resolution. Thus, the system can detect a very brief, low-amplitude pulse. Finally, we subject the oscillator to periodic delta-function forcing, mimicking a spike train, and find the exact analytic expressions for the stroboscopic maps. Using these maps, we find a period-doubling cascade to chaos with increasing force strength.