bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical Study on the Conformational Bioeffect of the Fluorination of Acetylcholine
Authors: Silla Josué M. , Silva Daniela R. , Freitas Matheus P.
Published: August 2017

There has been an increasing interest in the study of fluorinated derivatives of gamma‐aminobutyric acid (GABA), an acetylcholine (AC) analog. This work reports a theoretical study on the effect of an α‐carbonyl fluorination in AC, aiming at understanding the role of a distant fluorine relative to the positively charged nitrogen on the conformational folding of the resulting fluorinated AC. In addition, the chemical and structural changes were evaluated on the basis of ligand‐enzyme (acetylcholinesterase) interactions. In an enzyme‐free environment, the fluorination yields conformational changes relative to AC due to the appearance of some attractive interactions with fluorine and a weaker steric repulsion between the fluorine substituent and the carboxyl group, rather than to a possible electrostatic interaction F⋅⋅⋅N+. Moreover, the gauche orientation in the N−C−C−O fragment of AC owing to the electrostatic gauche effect is reinforced after fluorination. For instance, the conformational equilibrium in AC is described by a competition between gauche and anti conformers (accounting for the N−C−C−O dihedral angle) in DMSO, while the population for a gauche conformer in the fluorinated AC is almost 100 % in both gas phase and DMSO. However, this arrangement is disrupted in the biological environment even in the fluorinated derivative (whose bioconformation‐like geometry shows a ligand‐protein interaction of −84.1 kcal mol−1 against −79.5 kcal mol−1 for the most stable enzyme‐free conformation), which shows an anti N−C−C−O orientation, because the enzyme induced‐fit takes place. Nevertheless, the most likely bioconformation for the fluorinated AC does not match the bioactive AC backbone nor the most stable enzyme‐free conformation, thus revealing the role of fluorination on the bioconformational control of AC.
Metabolic effects of Hedyotis diffusa on rats bearing Walker 256 tumor revealed by NMR‐based metabolomics
Authors: Wang Zhiyong , Gao Kuo , Xu Can , Gao Jian , Yan Yujing , Wang Yingfeng , Li Zhongfeng , Chen Jianxin
Published: August 2017

Hedyotis diffusa, a traditional Chinese herbal medicine, is widely used for oncotherapy and shows a positive effect in the clinical treatment. But its mechanism of anticancer activities is complicated and unclear. This study was undertaken to assess the therapeutic effects and reveal detailed mechanisms of H. diffusa for oncotherapy. A Walker 256 tumor‐bearing rat model was established, and metabolomic profiles of plasma and urine were obtained from 1H NMR technique. Multivariate statistical analysis methods were used to characterize the discriminating metabolites between control (C), Walker 256 tumor‐bearing rats model (M), and H. diffusa treatment (H) groups. Finally, 13 and 10 metabolomic biomarkers in urine and plasma samples were further identified as characteristic metabolites in M group, whereas H group showed a partial metabolic balance recovered, such as ornithine, N‐acetyl‐l‐aspartate, l‐aspartate, and creatinine in urine samples, and acetate, lactate, choline, l‐glutamine, and 3‐hydroxybutyrate in plasma samples. On the basis of the methods above, we hypothesized H. diffusa treatment reduced the injury caused by Walker 256 tumor and maintained a metabolic balance. Our study demonstrated that this method provided new insights into metabolic alterations in tumor‐bearing biosystems and researching on the effects of H. diffusa on the endogenous metabolism in tumor‐bearing rats.
Gas permeation modeling of mixed matrix membranes: Adsorption isotherms and permeability models
Authors: Sanaeepur Hamidreza , Ebadi Amooghin Abtin , Khademian Einallah , Kargari Ali , Omidkhah Mohammadreza
Published: August 2017

In order to calculate the permeability of gases in mixed matrix membranes (MMMs) filled with porous particles, the first step is to calculate the permeability of filler particles. Because particle pore sizes of the considered sodium zeolite Y (NaY) in this study is greater than the molecular sizes of the tested gases (CO2 and N2), it is assumed that diffusion of the gases in the zeolite particles is from Knudsen type. Moreover, the gas sorption data (isotherms) were measured experimentally and then fitted with Langmuir and Freundlich model equations to calculate the related constants. Finally, the experimental CO2 and N2 permeabilities of cellulose acetate (CA)/NaY MMMs were compared with the corresponding data predicted by the well‐known permeability models in this field. It was concluded that the Bruggeman model has better predictions among the other models, especially for the higher particle loadings. POLYM. COMPOS., 39:4560–4568, 2018. © 2017 Society of Plastics Engineers
Persistence of Delirium after Cessation of Sedatives and Analgesics and Impact on Clinical Outcomes in Critically Ill Patients
Authors: Kenes Michael T. , Stollings Joanna L. , Wang Li , Girard Timothy D. , Ely E. Wesley , Pandharipande Pratik P.
Published: August 2017

Study Objective

As delirium is a common manifestation in critically ill patients and is associated with worse clinical outcomes, we sought to characterize the reversibility of delirium after discontinuation of sedation and to determine whether sedation‐associated delirium that rapidly reverses impacts clinical outcomes.

Design

Post hoc subgroup analysis of prospectively collected data from a previously published study.

Patients

Seventy adults admitted to a medical intensive care unit (ICU) between March and July 2012 who required mechanical ventilation with continuous analgesia and/or sedation and underwent a spontaneous awakening trial (SAT).

Measurements and Main Results

Patients were grouped into four categories: delirium free, rapidly reversible delirium (RRD; defined as delirium always resolving within 4 hrs of stopping sedatives), persistent delirium (PD; defined as delirium always persisting for ≥ 4 hours after stopping sedatives), or mixed delirium (consisting of RRD and PD episodes). The incidence of the four delirium subtypes and their associations with clinical outcomes were evaluated. A validated, guideline‐recommended, bedside delirium monitoring instrument—the Confusion Assessment Method for the ICU (CAM‐ICU)—was used to assess for the presence or absence of delirium. Clinical outcomes included ventilator‐free days at day 28, ICU and hospital length of stay, 28‐day mortality, and patient disposition; time to first CAM‐ICU becoming negative (delirium free) for a continuous 48‐hour duration was also assessed. A total of 103 SATs were performed in the 70 patients. Of the 103 SATs, 28 (27.2%) were CAM‐ICU negative before the SAT. Of the remaining 75 SATs, PD was present for the majority of SATs (62 [82.7%]); RRD was present after 13 (17.3%) SATs. On a patient level, 17 patients (24.3%) were always delirium free before cessation of medications for continuous sedation. Of the 53 patients with delirium before undergoing an SAT, 11 (20.8%) had RRD, 2 (3.8%) had mixed delirium, and 40 (75.5%) had PD. Proportional odds logistic regression adjusting for age, Acute Physiology and Chronic Health Evaluation II score, sepsis, and preexisting hypertension showed that patients with PD had a higher probability of longer ICU length of stay (odds ratio 4.01 [95% confidence interval 1.36–11.77], p=0.011), but those with RRD did not.

Conclusion

Despite the cessation of medications for continuous sedation, delirium persisted for the majority of patients and was associated with worse outcomes, which attests to the importance of strategies to minimize sedation.
Comparison of Bioavailability of Single‐Dose Extended‐Release Venlafaxine Capsules in Obese Patients Before and After Gastric Bypass Surgery
Authors: Krieger Carrie A. , Cunningham Julie L. , Reid Joel M. , Langman Loralie J. , Grothe Karen B. , Clark Matthew M. , Dierkhising Ross A.
Published: August 2017

Study Objective

The extended‐release (ER) form of venlafaxine is preferred because of improved patient adherence, but the immediate‐release (IR) form is frequently used after Roux‐en‐Y gastric bypass (RYGB) surgery because of concerns for malabsorption. The objective of this study was to determine whether a statistically significant and predictable change in the bioavailability of venlafaxine ER capsules occurs after RYGB.

Design

Prospective nonblinded single‐dose pharmacokinetic study.

Setting

Clinical research unit at a large tertiary care medical practice.

Patients

Ten adult pre–bariatric surgery patients who met the criteria for noncomplicated RYGB were enrolled and served as their own controls.

Interventions

Patients were administered one venlafaxine ER 75‐mg capsule at two visits—the first visit at least 1 week before undergoing RYGB and the second visit 3–4 months after RYGB. Blood samples were collected at predetermined intervals over 48 hours after each dose, and the pharmacokinetics of venlafaxine were measured.

Measurements and Main Results

Plasma levels of venlafaxine and its primary metabolite, O‐desmethylvenlafaxine (ODV), were compared at baseline and 3–4 months after RYGB. The areas under the serum concentration–time curves from 0–24 hours (AUC0–24) for venlafaxine (mean ± SD 734 ± 602 vs 630 ± 553 ng·hr/ml, p=0.22) and ODV (mean ± SD 894 ± 899 vs 1083 ± 972 ng·hr/ml, p=0.07) were similar before and after RYGB. Using a bioequivalence approach, differences in pre‐RYGB and post‐RYGB values of AUC0–24, peak serum concentration, and time to peak serum concentration were not statistically significant for either venlafaxine or ODV.

Conclusion

This study suggests that RYGB does not significantly alter the amount of venlafaxine or its active metabolite, ODV, absorbed from a venlafaxine ER capsule or the time over which it is absorbed.
Formation and Growth of Subsurface Cobalt Clusters in Copper
Authors: Lubov Maxim , Kulikov Dmitri , Trushin Yuri
Published: August 2017

Growth of subsurface cobalt clusters during the deposition of cobalt on copper substrate has been studied through kinetic modeling. It is shown that, in comparison with reverse transposition, the formation of subsurface clusters is caused by a strong dissociation of surface cobalt clusters and preferential transposition of surface cobalt atoms to subsurface copper layers. Cobalt clusters’ size distribution functions are calculated for the different deposition times. Values of the migration energy of cobalt atoms in subsurface layers of copper, and the binding energy of subsurface cobalt atoms with the subsurface cobalt cluster are estimated.
A model for moist convection in an ascending atmospheric column
Authors: Cheng B. , Cullen M. J. P. , Esler J. G. , Norbury J. , Turner M. R. , Vanneste J. , Cheng J.
Published: August 2017

This article presents a single‐column model of moist atmospheric convection. The problem is formulated in terms of conservation laws for mass, moist potential temperature and specific humidity of air parcels. A numerical adjustment algorithm is devised to model the convective adjustment of the column to a statically stable equilibrium state for a number of test cases. The algorithm is shown to converge to a weak solution with saturated and unsaturated parcels interleaved in the column as the vertical spatial grid size decreases. Such weak solutions would not be obtainable via discrete partial differential equation (PDE)methods, such as finite differences or finite volumes, from the governing EulerianPDEs. An equivalent variational formulation of the problem is presented and numerical results show equivalence with those of the adjustment algorithm. Results are also presented for numerical simulations of an ascending atmospheric column as a series of steady states. The adjustment algorithm developed in this article is advantageous over similar algorithms because first it includes the latent heating of parcels due to the condensation of water vapour, and secondly it is computationally efficient making it implementable into current weather and climate models.
The near‐surface evening transition
Authors: Mahrt L.
Published: August 2017

Understanding of the evening boundary‐layer transition has increased substantially in the past few years although such progress has led to new questions particularly regarding the evolution of the wind field. Results from the literature and analyses of measurements from three contrasting sites in our study suggest that the near‐surface temperature evolution of the evening transition begins with a late afternoon period of slow cooling. Subsequent reversal from upward heat flux to downward heat flux is followed by a period of rapid cooling. This rapid cooling typically occurs over a 60–90 min period, mostly before sunset, and accounts for much of the total ‘nocturnal cooling’. The rapid cooling subsequently transitions into slow cooling that can last for the rest of the night. The details of the temperature evolution vary substantially between sites and vary between nights at a given site.

The evolution of the wind and temperature fields during the evening transition are coupled, but both are characterized by unique features. The near‐surface wind usually decelerates in the late afternoon sometimes reaching temporary near‐calm conditions. The wind‐directional shear close to the surface can account for most of the total vector shear for part of the evening transition. Even weak slopes can generate local drainage flows that are sometimes eliminated by formation of regional drainage flows. Our study also examines other aspects of the evening transition that do not necessarily fit into this simple framework. For example, at one site, an intermediate flow develops between the elimination of a larger‐scale upslope flow and the formation of local cold‐air drainage.
Acoustic monitoring data of avian species inside and outside the evacuation zone of the Fukushima Daiichi power plant accident
Authors: Fukasawa Keita , Mishima Yoshio , Yoshioka Akira , Kumada Nao , Totsu Kumiko
Published: August 2017

Large‐scale land abandonment and reconstruction activity has altered the ecosystem structure in the evacuation area for the Fukushima Daiichi power plant accident in 2011. Despite social concerns about changes in the avian assemblages that occurred after the accident, publicly accessible data are quite limited. We engaged in acoustic monitoring of birds using digital voice recorders from 2014 in and around the Fukushima evacuation zone. All monitoring sites were located within schoolyards (including those that had been converted to community centers) to examine the bird assemblages in the urban and rural landscapes that were heavily altered by land abandonment due to the nuclear plant accident. A digital voice recorder was installed at each monitoring site during May–July, and we recorded 20 min a day using timer‐recording mode. We divided the audio data into 1‐min segments and identified species occurred in sampled segments by experts. These data represent the presence‐absence records from 52 sites monitored in 2014. In 2014, we identified the species for 7138 segments in total and 68 species occurred. We are continuing to monitor and intend to update the dataset with new observations hereafter. Our dataset will help people to recognize the status and dynamics of avian assemblage inside the evacuation zone, and will contribute to promote open science in avian ecological studies.
A NOTE ON THE GENERALISED HYPERSTABILITY OF THE GENERAL LINEAR EQUATION
Authors: AIEMSOMBOON LADDAWAN , SINTUNAVARAT WUTIPHOL
Published: August 2017

Let $X$ and $Y$ be two normed spaces over fields $\mathbb{F}$ and $\mathbb{K}$, respectively. We prove new generalised hyperstability results for the general linear equation of the form $g(ax+by)=Ag(x)+Bg(y)$, where $g:X\rightarrow Y$ is a mapping and $a,b\in \mathbb{F}$, $A,B\in \mathbb{K}\backslash \{0\}$, using a modification of the method of Brzdęk [‘Stability of additivity and fixed point methods’, Fixed Point Theory Appl.2013 (2013), Art. ID 285, 9 pages]. The hyperstability results of Piszczek [‘Hyperstability of the general linear functional equation’, Bull. Korean Math. Soc.52 (2015), 1827–1838] can be derived from our main result.
The functional–formal impasse in (trust) property
Authors: Wall Jesse
Published: August 2017

This paper identifies an impasse between two conceptions of ‘property rights’. Formal conceptions explain ‘property rights’ in terms of an alienable right to exclude, that has moral significance in terms of individuals’ preference satisfaction, and describe a trust beneficiary as having a right against the trustees’ right. Functional conceptions explain a ‘property right’ in terms of the entitlements in a resource, which has moral significance in terms of a range of individual and social values, and describe a trust beneficiary as having a share in entitlements in the resource. This impasse has general implications for the normative analysis of property law and particular implications for the practical application of redistributive statutory provisions to discretionary trusts. The solution to this impasse lies in the abandoning the language of ‘property’ when we are concerned with the entitlements in a resource.
Maternal body weight trajectories across the life course and risk of preterm delivery
Authors: Straughen J. K. , Bazydlo M. , Havstad S. , Shafie-Khorassani F. , Misra D. P.
Published: September 2017

We examined the association between life course body weight percentile trajectories and risk for preterm delivery (PTD). Data about women’s weight at birth, age 18, and before pregnancy were obtained by retrospective self-report in a cohort of 1410 black women in metropolitan Detroit. Growth mixture models were used to categorize women with similar weight percentile trajectories across these time points. Log-Poisson models were used to examine the association between the trajectory groups and PTD. Four trajectory groups with different beginning and endpoints of their weight percentiles (high-high, high-low, low-high and low-low) best fit the data. The groups with the highest prevalence of PTD were those that started low (low-high, 21%; low-low, 18%). The low-high group had a higher prevalence of PTD than the high-high trajectory group in unadjusted models (prevalence ratio=1.49 [95% confidence interval (CI) 1.11, 2.00]). The association became not significant after adjusting for maternal age at delivery, income, diabetes and hypertension. When compared with the high-high trajectory group, the low-low trajectory seemed to also have a higher prevalence of PTD after adjusting for maternal age at delivery, income, diabetes and hypertension (prevalence ratio=1.35 [95% CI 1.00, 1.83]). Results suggest that a woman’s risk for PTD is influenced by her body weight trajectory across the life course.
Ultrathin tunable terahertz absorber based on MEMS-driven metamaterial
Authors: Liu Mingkai , Susli Mohamad , Silva Dilusha , Putrino Gino , Kala Hemendra , Fan Shuting , Cole Michael , Faraone Lorenzo , Wallace Vincent P. , Padilla Willie J. , Powell David A. , Shadrivov Ilya V. , Martyniuk Mariusz
Published: August 2017

The realization of high-performance tunable absorbers for terahertz frequencies is crucial for advancing applications such as single-pixel imaging and spectroscopy. Based on the strong position sensitivity of metamaterials’ electromagnetic response, we combine meta-atoms that support strongly localized modes with suspended flat membranes that can be driven electrostatically. This design maximizes the tunability range for small mechanical displacements of the membranes. We employ a micro-electro-mechanical system technology and successfully fabricate the devices. Our prototype devices are among the best-performing tunable THz absorbers demonstrated to date, with an ultrathin device thickness (~1/50 of the working wavelength), absorption varying between 60% and 80% in the initial state when the membranes remain suspended, and fast switching speed (~27 μs). The absorption is tuned by an applied voltage, with the most marked results achieved when the structure reaches the snap-down state. In this case, the resonance shifts by >200% of the linewidth (14% of the initial resonance frequency), and the absolute absorption modulation measured at the initial resonance can reach 65%. The demonstrated approach can be further optimized and extended to benefit numerous applications in THz technology.
Endoplasmic reticulum stress signaling and chemotherapy resistance in solid cancers
Authors: Avril T , Vauléon E , Chevet E
Published: August 2017

The unfolded protein response (UPR) is an adaptive cellular program used by eukaryotic cells to cope with protein misfolding stress. During tumor development, cancer cells are facing intrinsic (oncogene activation) and extrinsic (limiting nutrient or oxygen supply) challenges, with which they must cope to survive. Moreover, chemotherapy represents an additional extrinsic challenge that cancer cells are facing and to which they adapt in the case of resistance. As of today, resistance to chemotherapy and targeted therapies is one of the important issues that oncologists have to deal with for treating cancer patients. In this review, we first describe the key molecular mechanisms controlling the UPR and their implication in solid cancers. Then, we review the literature that connects cancer chemotherapy resistance mechanisms and activation of the UPR. Finally, we discuss the possible applications of targeting the UPR to bypass drug resistance.
E6/E7 oncogenes in epithelial suprabasal layers and estradiol promote cervical growth and ear regeneration
Authors: García C , Hernández-García D , Valencia C , Rojo-León V , Pérez-Estrada J-R , Werner M , Covarrubias L
Published: August 2017

Tissue growth is a common characteristic of carcinogenesis and regeneration. Here we show that suprabasal expression of human papillomavirus (HPV)16 E6/E7 oncogenes in Tg(K6b-E6/E7) mice, similar to that observed in HPV-infected human tissue, and estradiol increased cervical epithelium growth and ear-hole closure efficiency. Oncogenes in combination with estradiol had a significant contribution to the proliferation of suprabasal cells of cervical epithelium that correlated with an increased expression of keratin genes. Remarkably, long-term treatments with estradiol resulted in evident cellular and tissue abnormalities indicative of a precancerous phenotype. Regenerating ear epithelium of transgenic mice also showed increased suprabasal cell proliferation and expression of keratin genes. Unexpectedly, we observed higher ear regeneration efficiency in adult than in young female mice, which was further increased by E6/E7 oncogenes. Supporting a role of estradiol in this phenomenon, ovariectomy and treatment with an estrogen receptor inhibitor caused a significant reduction in regenerative capacity. Our data suggest that Tg(K6b-E6/E7) mice are unique to mimic the initial stages of HPV-mediated cervical carcinogenesis, and ear regeneration could facilitate the elucidation of mechanisms involved.
Growth-induced stress enhances epithelial-mesenchymal transition induced by IL-6 in clear cell renal cell carcinoma via the Akt/GSK-3β/β-catenin signaling pathway
Authors: Chen Q , Yang D , Zong H , Zhu L , Wang L , Wang X , Zhu X , Song X , Wang J
Published: August 2017

Stromal cell populations in the tumor microenvironment (TME) play a critical role in the oncogenesis and metastasis of renal cell carcinoma. In this study, we found that there are α-smooth muscle actin positive (α-SMA (+)) cells in the stroma of clear cell renal cell carcinoma (ccRCC) tissues, and their numbers are significantly associated with poor survival in ccRCC patients. Interleukin 6 (IL-6) is a critical diver that induces α-SMA (+) cells in ccRCC tissues via promotion of epithelial to mesenchymal transition (EMT) and stimulates migration and invasion in ccRCC. Peritumoral CD4+ T cells are the main source of IL-6 in ccRCC tissues. In addition to biochemical factors, mechanical compression within tumors affects tumor cell behavior. Tumors grown in a confined space exhibit intratumoral compressive stress and, with sufficient pressure, stress-stimulated migration of cancer cells. Moreover, a combination of IL-6 secreted by CD4+ T cells and growth-induced solid stress further contributes to the regulation of cancer cell morphogenesis, EMT and acquisition of a stemness phenotype. The effects in the combination group were driven by the Akt/GSK-3β/β-catenin signaling pathway, and deregulation of β-catenin expression was predictive of poor outcome in ccRCC patients. Notably, the expression of a cancer stem cell marker, CD44, was correlated with T stage, high Fuhrman grade and metastasis in ccRCC. These data provide evidence for new stress-reducing and IL-6 targeting strategies in cancer therapy.
Rechargeable aqueous zinc-manganese dioxide batteries with high energy and power densities
Authors: Zhang Ning , Cheng Fangyi , Liu Junxiang , Wang Liubin , Long Xinghui , Liu Xiaosong , Li Fujun , Chen Jun
Published: August 2017

Although alkaline zinc-manganese dioxide batteries have dominated the primary battery applications, it is challenging to make them rechargeable. Here we report a high-performance rechargeable zinc-manganese dioxide system with an aqueous mild-acidic zinc triflate electrolyte. We demonstrate that the tunnel structured manganese dioxide polymorphs undergo a phase transition to layered zinc-buserite on first discharging, thus allowing subsequent intercalation of zinc cations in the latter structure. Based on this electrode mechanism, we formulate an aqueous zinc/manganese triflate electrolyte that enables the formation of a protective porous manganese oxide layer. The cathode exhibits a high reversible capacity of 225 mAh g−1 and long-term cyclability with 94% capacity retention over 2000 cycles. Remarkably, the pouch zinc-manganese dioxide battery delivers a total energy density of 75.2 Wh kg−1. As a result of the superior battery performance, the high safety of aqueous electrolyte, the facile cell assembly and the cost benefit of the source materials, this zinc-manganese dioxide system is believed to be promising for large-scale energy storage applications.
Hepcidin is regulated by promoter-associated histone acetylation and HDAC3
Authors: Pasricha Sant-Rayn , Lim Pei Jin , Duarte Tiago L. , Casu Carla , Oosterhuis Dorenda , Mleczko-Sanecka Katarzyna , Suciu Maria , Da Silva Ana Rita , Al-Hourani Kinda , Arezes João , McHugh Kirsty , Gooding Sarah , Frost Joe N. , Wray Katherine , Santos Ana , Porto Graça , Repapi Emmanouela , Gray Nicki , Draper Simon J. , Ashley Neil , Soilleux Elizabeth , Olinga Peter , Muckenthaler Martina U. , Hughes Jim R. , Rivella Stefano , Milne Thomas A. , Armitage Andrew E. , Drakesmith Hal
Published: August 2017

Hepcidin regulates systemic iron homeostasis. Suppression of hepcidin expression occurs physiologically in iron deficiency and increased erythropoiesis but is pathologic in thalassemia and hemochromatosis. Here we show that epigenetic events govern hepcidin expression. Erythropoiesis and iron deficiency suppress hepcidin via erythroferrone-dependent and -independent mechanisms, respectively, in vivo, but both involve reversible loss of H3K9ac and H3K4me3 at the hepcidin locus. In vitro, pan-histone deacetylase inhibition elevates hepcidin expression, and in vivo maintains H3K9ac at hepcidin-associated chromatin and abrogates hepcidin suppression by erythropoietin, iron deficiency, thalassemia, and hemochromatosis. Histone deacetylase 3 and its cofactor NCOR1 regulate hepcidin; histone deacetylase 3 binds chromatin at the hepcidin locus, and histone deacetylase 3 knockdown counteracts hepcidin suppression induced either by erythroferrone or by inhibiting bone morphogenetic protein signaling. In iron deficient mice, the histone deacetylase 3 inhibitor RGFP966 increases hepcidin, and RNA sequencing confirms hepcidin is one of the genes most differentially regulated by this drug in vivo. We conclude that suppression of hepcidin expression involves epigenetic regulation by histone deacetylase 3.
A prophage tail-like protein is deployed by Burkholderia bacteria to feed on fungi
Authors: Swain Durga Madhab , Yadav Sunil Kumar , Tyagi Isha , Kumar Rahul , Kumar Rajeev , Ghosh Srayan , Das Joyati , Jha Gopaljee
Published: August 2017

Some bacteria can feed on fungi, a phenomenon known as mycophagy. Here we show that a prophage tail-like protein (Bg_9562) is essential for mycophagy in Burkholderia gladioli strain NGJ1. The purified protein causes hyphal disintegration and inhibits growth of several fungal species. Disruption of the Bg_9562 gene abolishes mycophagy. Bg_9562 is a potential effector secreted by a type III secretion system (T3SS) and is translocated into fungal mycelia during confrontation. Heterologous expression of Bg_9562 in another bacterial species, Ralstonia solanacearum, confers mycophagous ability in a T3SS-dependent manner. We propose that the ability to feed on fungi conferred by Bg_9562 may help the bacteria to survive in certain ecological niches. Furthermore, considering its broad-spectrum antifungal activity, the protein may be potentially useful in biotechnological applications to control fungal diseases.
Anti-inflammatory effects of octadecylamine-functionalized nanodiamond on primary human macrophages
Authors: Pentecost A. E. , Witherel C. E. , Gogotsi Y. , Spiller K. L.
Published: August 2017

The ability of octadecylamine-functionalized nanodiamond to promote anti-inflammatory behaviour in macrophages suggests its potential to act as an anti-inflammatory therapeutic.
Pd–Au heterostructured nanonecklaces with adjustable interval and size as a superior catalyst for degradation of 4-nitrophenol
Authors: Huang Zhao , Cai Kai , Zhang Huan , Hong Zilan , Yuan Zhaodong , Han Heyou
Published: August 2017

A novel type of Pd–Au heteronanostructure with the microscopic shape of a pearl necklace was prepared, which exhibited outstanding catalytic properties.
A highly fluorinated lithium iron phosphate with interpenetrating lattices: electrochemistry and ionic conductivity
Authors: Yaghoobnejad Asl Hooman , Ghosh Kartik , Choudhury Amitava
Published: August 2017

A fluorinated iron phosphate with interpenetrating lattices containing large channels filled with lithium ions has been synthesized in low-melting flux.
Three series of heterometallic NiII–LnIII Schiff base complexes: synthesis, crystal structures and magnetic characterization
Authors: Jiang Lin , Liu Yue , Liu Xin , Tian Jinlei , Yan Shiping
Published: August 2017

Three series of NiII–LnIII complexes were synthesized using compartmental Schiff base ligands in conjunction with auxiliary ligands. Their magnetic properties have been well studied.
Reactivity of the geminal phosphinoborane tBu2PCH2BPh2 towards alkynes, nitriles, and nitrilium triflates
Authors: Habraken Evi R. M. , Mens Lars C. , Nieger Martin , Lutz Martin , Ehlers Andreas W. , Slootweg J. Chris
Published: August 2017

The reactivity of the geminal phosphinoborane tBu2PCH2BPh2 towards terminal alkynes, nitriles and nitrilium salts is investigated.
Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na4MB2P3O13(M = Rb, Cs) exhibiting a second-harmonic generation response
Authors: Wu Chao , Li Longhua , Yang Gang , Song Junling , Yan Bing , Humphrey Mark G. , Zhang Long , Shao Jianda , Zhang Chi
Published: August 2017

The first SHG-active mixed-alkali-metal borophosphates, Na4MB2P3O13(M = Rb1, Cs2), have been obtainedviaa low-temperature flux method.
A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour
Authors: Zhu Wen-Hua , Xiong Xia , Gao Chen , Li Shan , Zhang Yan , Wang Juan , Zhang Chi , Powell Annie K. , Gao Song
Published: August 2017

Utilizing two different carboxylate ligands to construct dysprosium SMMs with relatively good performance was proven to be a successful synthetic strategy.
Ag3I[(MoO3)2(IO3)2]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag+) and anion (I−)
Authors: Meng Chang-Yu , Zhang Pei , Wang Rong-Fang , Geng Lei
Published: August 2017

A new noncentrosymmetric compound Ag3I[(MoO3)2(IO3)2] has been hydrothermally synthesized and characterized.
Base-free nickel-catalyzed hydroboration of simple alkenes with bis(pinacolato)diboron in an alcoholic solvent
Authors: Li Jiang-Fei , Wei Zhen-Zhong , Wang Yong-Qiu , Ye Mengchun
Published: August 2017

A base-free nickel-catalyzed hydroboration of unreactive simple alkenes with bis(pinacolato)diboron using methanol as the hydride source under mild conditions has been developed.
Design and mechanism of core–shell TiO2 nanoparticles as a high-performance photothermal agent
Authors: Sun Lei , Li Zhenglin , Li Zhuo , Hu Ying , Chen Chong , Yang Chenhui , Du Baosheng , Sun Ye , Besenbacher Flemming , Yu Miao
Published: August 2017

High-performance photothermal agents have become particularly fascinating, however, the influence of crystallization nature on their photothermal performance remains elusive.
Size dependent targeted delivery of gold nanoparticles modified with the IL-6R-specific aptamer AIR-3A to IL-6R-carrying cells
Authors: Prisner Lisa , Bohn Nadine , Hahn Ulrich , Mews Alf
Published: August 2017

The receptor–ligand mediated AuNP delivery to cells is strongly dependent on the particle size, as investigated by comparing very small “molecular” Au clusters of only 2 nm with larger 7 nm AuNPs and 36 nm AuNPs with a distinct surface plasmon resonance.
Simultaneous modulation of surface composition, oxygen vacancies and assembly in hierarchical Co3O4 mesoporous nanostructures for lithium storage and electrocatalytic oxygen evolution
Authors: Sun Hongyu , Zhao Yanyan , Mølhave Kristian , Zhang Minwei , Zhang Jingdong
Published: August 2017

Co3O4 hierarchical nanostructures with tunable surface composition, oxygen vacancies and assembly exhibit excellent lithium storage and electrocatalytic oxygen evolution properties.
Passivating 1T′-MoTe2 multilayers at elevated temperatures by encapsulation
Authors: Wang Dennis , Smyser Kori , Rhodes Daniel , Balicas Luis , Pasupathy Abhay , Herman Irving P.
Published: August 2017

The decomposition of 1T′-MoTe2 at high temperatures can be slowed down substantially by encapsulating it with hBN.
Graphene oxide inhibits malaria parasite invasion and delays parasitic growthin vitro
Authors: Kenry Kenry , Lim Ying Bena , Nai Mui Hoon , Cao Jianshu , Loh Kian Ping , Lim Chwee Teck
Published: August 2017

Graphene oxide nanosheets exhibit antimalarial property by inhibiting malaria parasite invasion and delaying parasitic growthin vitro.
Anchoring NaYF4:Yb,Tm upconversion nanocrystals on concave MIL-53(Fe) octahedra for NIR-light enhanced photocatalysis
Authors: Li Mohua , Wang Jin , Zheng Yangqiong , Zheng Zhenjian , Li Chunxia , Li Zhengquan
Published: August 2017

Upconversion nanoparticles are anchored on concave MIL-53(Fe) octahedra, providing a unique antenna to harness NIR light for improving their photocatalytic activity.
Ground-state conformers enable bright single-fluorophore ratiometric thermometers with positive temperature coefficients
Authors: Chi Weijie , Yin Wenting , Qi Qingkai , Qiao Qinglong , Lin Yuyan , Zhu Zhuohui , Vijayan Sindhu , Hashimoto Michinao , Udayakumar Gayathri , Xu Zhaochao , Liu Xiaogang
Published: August 2017

A pseudo-rigid fluorophore with multiple conformers enables highly reliable single-fluorophore ratiometric temperature sensing.
Direct C–H heteroarylation by an acenaphthyl-based α-diimine palladium complex: improvement of the reaction efficiency for bi(hetero)aryls under aerobic conditions
Authors: Chen Fu-Min , Huang Fei-Dong , Yao Xue-Yi , Li Tian , Liu Feng-Shou
Published: August 2017

A bulky ancenaphthyl skeleton-based α-diimine palladium complex has been developed, which exhibited high reactivity for direct heteroarylation of heteroaryl bromides under aerobic conditions with a broad substrate scope.
Comparative investigation of the reactivities between catalysts [Cp*RhCl2]2and [Cp*IrCl2]2in the oxidative annulation of isoquinolones with alkynes: a combined experimental and computational study
Authors: Zhao Chaoyue , Ge Qingmei , Wang Baiquan , Xu Xiufang
Published: August 2017

The origin of the lower reactivity of [Cp*IrCl2]2relative to [Cp*RhCl2]2is disclosed and the substituent effects on reactivities are discussed.
Synthetic strategies towards mycolactone A/B, an exotoxin secreted by Mycobacterium ulcerans
Authors: Saint-Auret Sarah , Abdelkafi Hajer , Le Nouen Didier , Bisseret Philippe , Blanchard Nicolas
Published: August 2017

Pitfalls and dead-ends pave the way to mycolactone A/B. This full account reports synthetic efforts towards this natural product that eventually culminated in a de novo total synthesis.
Experimental investigations and analysis on churning losses of splash lubricated spiral bevel gears
Authors: Laruelle S. , Fossier C. , Changenet C. , Ville F. , Koechlin S.
Published: August 2017

Churning losses are a complex phenomenon which generates significant power losses when considering splash lubrication of gear units. However, only few works deal with bevel gears dipped lubrication losses. The objective of this study is to provide a wide variety of experimental tests on churning losses, especially getting interested in geometry of spiral bevel gears influence. A specific test rig was used in order to study a single spiral bevel gear partially immersed in an oil bath. Experiments have been conducted for several operating conditions in terms of speeds, lubricants, temperatures and gear geometries to study their impact on splash lubrication power losses. These experimental results are compared with the predictions from various literature sources. As the results did not agree well with the predictions for all operating conditions, an extended equation derived from previous works is introduced to estimate churning losses of bevel gears.
Recycled Pd/C-Catalyzed Heck Reaction of 2-Iodoanilines under Ligand-Free Conditions
Authors: Zhou Xiao-Yu , Chen Xia , Wang Liang-Guang
Published: August 2017

Recyclable Pd/C-catalyzed Heck reaction of 2-iodoanilines with acrylate has been developed. The reaction occurred readily in 1,4-dioxane using Pd/C (10 wt%) as catalyst under ligand-free conditions, and the cross-coupling products were obtained with medium to high yield. Gram-scale reactions and recycling of the catalyst were also demonstrated.
Natural Killer Cells in Liver Disease
Authors: Stegmann Kerstin , Easom Nicholas , Maini Mala , Male Victoria
Published: August 2017

Natural killer (NK) cells comprise one of the most abundant immune cell populations in human liver and the nature and functions of these cells have been a focus of recent interest. Here, we consider the possible roles of NK cells in diverse liver diseases, concentrating on data from patient studies. NK cells can be protective, killing virally infected and cancerous cells in the liver and limiting fibrosis by eliminating hepatic stellate cells. However, they can also be deleterious, contributing to pathology in viral hepatitis by killing hepatocytes and downregulating virus-specific T-cell responses. It has recently emerged that a large fraction of hepatic NK cells constitute a distinct liver-resident subset and we highlight the need to distinguish between circulating and liver-resident NK cells in future studies. There is also a need for further investigation into how NK cells are influenced by the liver microenvironment and what scope there is to harness their immunotherapeutic potential.
Anatomical Variations in Patients with Ménière Disease: A Tomography Study
Authors: Lucinda Lucas , Cristoff Daniela , Coelho Luiz , Zanini Otávio , Guimarães Rita
Published: August 2017

Introduction The etiology of Ménière disease (MD), a difficult-to-treat condition with great morbidity, remains controversial in the literature. The possible clinical and diagnostic impact of anatomical variations of the temporal bone among patients with MD has been recently studied.

Objective To identify anatomical variations of the temporal bone associated with the diagnosis of MD.

Methods Thirty-seven patients were included, although each ear was considered separately (n = 74). A case group (nA = 33) was composed of the affected ears of patients with definite MD and a control group (nB = 41) was used consisting of the ears of individuals who did not meet the criteria for MD and of the contralateral ears from patients with unilateral disease. Tomographic images from the individuals included in the study were submitted to a blinded and systematic evaluation regarding a broad variety of anatomical variations of the temporal bone. Obtained data were compared statistically between the groups and after stratifying the study sample. Significance level was set at 0.05.

Results Among the affected ears, it was observed an increased number of tomographic scans in which the vestibular aqueduct could not be identified (p = 0.01, Fisher exact test). No statistically significant differences were observed when comparing the affected and contralateral ears from patients with unilateral MD, between affected ears from patients with unilateral and bilateral disease or between contralateral ears of patients with unilateral affection and patients without the disease.

Conclusion Some anatomical variations might be more frequent in the affected ears of patients with MD, such as the lower rates of individualization of the vestibular aqueduct.
Term Neonate with Atypical Hypoxic-Ischemic Encephalopathy Presentation: A Case Report
Authors: Townley Nick , McNellis Emily , Sampath Venkatesh
Published: August 2017

We describe a case of atypical hypoxic-ischemic encephalopathy (HIE) in a neonate following a normal pregnancy and delivery who was found to have an umbilical vein thrombosis. The infant arrived to our center with continuous bicycling movement of her lower extremities. She had a continuous electroencephalogram that showed burst suppression and magnetic resonance imaging of the brain showed diffusely abnormal cerebral cortical/subcortical diffusion restriction which may be secondary hypoxic-ischemic injury. Interestingly, a pathology report noted a focal umbilical vein thrombosis appearing to have compressed an umbilical artery with associated arterial dissection and hematoma. Our case illustrates how umbilical venous or arterial thrombosis may be associated with HIE and refractory seizures.
The Role of the Level of Interleukin-33 in the Therapeutic Outcomes of Immunotherapy in Patients with Allergic Rhinitis
Authors: Nasr Wail , Sorour Samir , El Bahrawy Atef , Boghdadi Ghada , El Shahaway Alia
Published: August 2017

Introduction Allergic rhinitis (AR) affects up to 40% of the population and results in nasal itching, congestion, sneezing, and clear rhinorrhea.

Objectives This study aimed to evaluate the changes in the clinical symptoms and in the level of serum interleukin (IL)-33 before and after pollen immunotherapy (IT) in patients with AR.

Methods The total symptom score and the levels of total immunoglobulin E (IgE) and IL-33 were determined in the serum of 10 non-allergic healthy controls and 45 patients with AR who were equally divided into 3 groups: GI (patients did not receive IT), GII (patients had received IT for 6 months) and GIII (patients had received IT for 2 years).

Results There was a significantly higher concentration of IgE and IL-33 in the serum of patients with AR than in that of non-allergic patients. Furthermore, serum level of IL-33 decreased significantly after pollen IT. But, there was no significant reduction in the serum level of IL-33 between GII and GIII patients.

Conclusion Our results show a clinical improvement associated with a decrease in serum level of IL-33 after pollen IT.
Neurodevelopment and Growth of a Cohort of Very Low Birth Weight Preterm Infants Compared to Full-Term Infants in Brazil
Authors: Fuentefria Rubia , Silveira Rita , Procianoy Renato
Published: August 2017

Objective The objective of this study was to investigate the neurodevelopment and growth of very low birth weight (BW) preterm infants, at 8 and 18 months corrected age (CA), compared with full term in Brazil.

Methods Prospective cohort study including 83 preterm infants with BW ≤ 1,500 g and gestational age ≤ 32 weeks, and 52 full-term control infants. Preterm infants free from significant sensory and motor disability, and from congenital anomalies were included. Alberta infant motor scale (AIMS) and Brunet–Lèzini scale (BLS) were used to evaluate the neurodevelopment at 8 and 18 months. Anthropometric measurements were collected to evaluate the growth in both age groups.

Results At 8 months CA, preterm infants scored significantly lower in total AIMS score (p = 0.001). At 18 months, they scored significantly lower on the stand subscale from AIMS (p = 0.040) and exhibited poor psychomotor development in the BLS (p = 0.006). The nutritional status showed significant differences between the groups, in both age groups (p < 0.001). There were positive correlations between nutritional status and AIMS (r = 0.420; p < 0.001) and BLS (r = 0.456; p < 0.001) at 8 months, and between head circumference and BLS (r = 0.235; p < 0.05) at 8 months and AIMS (r = 0.258; p < 0.05) at 18 months.

Conclusion Very low BW preterm infants at 8 and 18 months CA showed significant differences in the neurodevelopment and growth pattern when compared with their full-term peers.
Multiple Oral Dosing Pharmacokinetics of Standardized Extract of Centella asiatica ECa 233 and Its Inductive Effect on Efflux Transporters in Rats
Authors: Anukunwithaya Tosapol , Tantisira Mayuree , Shimada Tsutomu , Sai Yoshimichi , Khemawoot Phisit
Published: August 2017

ECa 233 is a standardized extract of Centella asiatica, characterized as a white powder containing triterpenoid glycosides not less than 80% with a ratio of madecassoside to asiaticoside of 1.5±0.5:1. Although pharmacological and toxicological profiles of ECa 233 have been successively reported, the pharmacokinetic data needed for further therapeutic development are not fully elucidated. This study aimed to investigate the pharmacokinetics of multiple oral dosing of ECa 233 at 100 mg/kg/day for 7 days in rats. Plasma, tissues, urine, and feces were collected from 0 to 24 h after dosing on days 1 and 7. The concentrations of asiaticoside, madecassoside, asiatic acid, and madecassic acid were simultaneously analyzed by liquid chromatography-tandem mass spectrometry. No significant change was observed in physical and blood biochemical parameters of the animals treated with ECa 233 for 7 days. The maximum plasma concentration and area under the curve at day 7 of madecassoside and asiaticoside decreased by 70–80% from day 1. However, both triterpenoid glycosides were extensively distributed and accumulated, resulting in significantly higher concentrations at pharmacologically relevant organs. Madecasssic acid and asiatic acid are major metabolites mainly found in and excreted via feces. Moreover, multiple dosing of ECa 233 increased mRNA expression of Abcb1a and Abcc2 in the small intestine by approximately 2- to 3-fold. This is the first study to identify an inductive effect of a standardized extract of C. asiatica after multiple oral dosing in rats. Potential drug-herb interactions when ECa 233 is coadministered with Abcb1a and Abcc2 substrates calls for further investigations.