bluuebunny/crossref_metadata_2025 huggingface dataset:
A New Treatment-integrated Prognostic Nomogram of the Barcelona Clinic Liver Cancer System for Hepatocellular Carcinoma
Authors: Hsu Chia-Yang , Liu Po-Hong , Hsia Cheng-Yuan , Lee Yun-Hsuan , Nagaria Teddy S. , Lee Rheun-Chuan , Ho Shu-Yein , Hou Ming-Chih , Huo Teh-Ia
Published: August 2017

The nomogram of the Barcelona Clinic Liver Cancer (BCLC) has accurate outcome prediction. This study aims to propose a treatment-integrated nomogram derived from BCLC for patients with hepatocellular carcinoma (HCC). A total of 3,371 patients were randomly grouped into derivation (n = 2,247) and validation (n = 1,124) sets. Multivariate Cox proportional hazards model was used to generate the nomogram from tumor burden, cirrhosis, performance status (PS) and primary anti-cancer treatments. Concordance indices and calibration plots were used to evaluate the performance of nomogram. The derivation and validation sets had the same concordance index of 0.774 (95% confidence intervals: 0.717–0.826 and 0.656–0.874, respectively). In calibration plots, survival distributions predicted by the nomogram and observed by the Kaplan-Meier method were similar at 3- and 5-year for patients from derivation and validation sets. Validation group patients divided into 10 subgroups by the original and new treatment-integrated BCLC nomogram were used to evaluate the prognostic performance of integrating primary anti-cancer treatments. Compared to the nomogram of original BCLC system, the treatment-integrated nomogram of BCLC system had larger linear trend and likelihood ratio X2. In conclusion, based on the results of concordance index tests, integrating primary anti-cancer treatments into the BCLC system provides similar discriminatory ability.
Chronic Intermittent Hypobaric Hypoxia Improves Cardiac Function through Inhibition of Endoplasmic Reticulum Stress
Authors: Yuan Fang , Zhang Li , Li Yan-Qing , Teng Xu , Tian Si-Yu , Wang Xiao-Ran , Zhang Yi
Published: August 2017

We investigated the role of endoplasmic reticulum stress (ERS) in chronic intermittent hypobaric hypoxia (CIHH)-induced cardiac protection. Adult male Sprague-Dawley rats were exposed to CIHH treatment simulating 5000 m altitude for 28 days, 6 hours per day. The heart was isolated and perfused with Langendorff apparatus and subjected to 30-min ischemia followed by 60-min reperfusion. Cardiac function, infarct size, and lactate dehydrogenase (LDH) activity were assessed. Expression of ERS molecular chaperones (GRP78, CHOP and caspase-12) was assayed by western blot analysis. CIHH treatment improved the recovery of left ventricular function and decreased cardiac infarct size and activity of LDH after I/R compared to control rats. Furthermore, CIHH treatment inhibited over-expression of ERS-related factors including GRP78, CHOP and caspase-12. CIHH-induced cardioprotection and inhibition of ERS were eliminated by application of dithiothreitol, an ERS inducer, and chelerythrine, a protein kinase C (PKC) inhibitor. In conclusion CIHH treatment exerts cardiac protection against I/R injury through inhibition of ERS via PKC signaling pathway.
Stingray venom activates IL-33 producing cardiomyocytes, but not mast cell, to promote acute neutrophil-mediated injury
Authors: dos Santos Janaina Cardoso , Grund Lidiane Zito , Seibert Carla Simone , Marques Elineide Eugênio , Soares Anderson Brito , Quesniaux Valerie F. , Ryffel Bernhard , Lopes-Ferreira Monica , Lima Carla
Published: August 2017

One of the hallmarks of acute inflammation is neutrophil infiltration of tissues. We investigated molecular mechanisms implicated in acute neutrophilic inflammation induced by the venom of a freshwater stingray (Potamotrygon cf. henlei) in mice. Ray venom induced early mobilization of neutrophil in the microvasculature of cremaster mice and infiltration of the peritoneal cavity 2 hours after injury, in a dose-response manner. IL-1β, IL-6, TNF-α, and KC were produced. The neutrophilic infiltration did not occur in mice with ST2 receptor and MyD88 adapters neutralized, or in those with PI3K and p38 MAPK signaling blocked. Drastic reduction of neutrophil infiltration to peritoneal cavities was observed in ST2−/−, TLR2/TLR4−/−, MyD88−/−, TRIF−/−and IL-17A−/−mice, and a partial reduction was observed in IL-18R−/−mice. Mast cell Kit W(sh)/W(sh)-, AHR-, NLRP3-, ICE-, IL-1β-, P2RX7-, CD39-, IL-17RA-, and TBX21KOmice retain the ability to induce neutrophilia in peritoneal cavity after ray venom injection. IL-6 and TNF-α alone were insufficient for promote neutrophilia in the absence of ST2 signaling. Finally, abundant production of IL-33 by cardiomyocytes was observed. These results refine our understanding of the importance of the IL-33/ST2 axis and IL-33-producing cardiomyocytes in the early acute neutrophilia induced by freshwater stingray venoms.
A structural and mechanistic study of π-clamp-mediated cysteine perfluoroarylation
Authors: Dai Peng , Williams Jonathan K. , Zhang Chi , Welborn Matthew , Shepherd James J. , Zhu Tianyu , Van Voorhis Troy , Hong Mei , Pentelute Bradley L.
Published: August 2017

Natural enzymes use local environments to tune the reactivity of amino acid side chains. In searching for small peptides with similar properties, we discovered a four-residue π-clamp motif (Phe-Cys-Pro-Phe) for regio- and chemoselective arylation of cysteine in ribosomally produced proteins. Here we report mutational, computational, and structural findings directed toward elucidating the molecular factors that drive π-clamp-mediated arylation. We show the significance of atransconformation prolyl amide bond for the π-clamp reactivity. The π-clamp cysteine arylation reaction enthalpy of activation (ΔH‡) is significantly lower than a non-π-clamp cysteine. Solid-state NMR chemical shifts indicate the prolyl amide bond in the π-clamp motif adopts a 1:1 ratio of thecisandtransconformation, while in the reaction product Pro3 was exclusively intrans. In two structural models of the perfluoroarylated product, distinct interactions at 4.7 Å between Phe1 side chain and perfluoroaryl electrophile moiety are observed. Further, solution19F NMR and isothermal titration calorimetry measurements suggest interactions between hydrophobic side chains in a π-clamp mutant and the perfluoroaryl probe. These studies led us to design a π-clamp mutant with an 85-fold rate enhancement. These findings will guide us toward the discovery of small reactive peptides to facilitate abiotic chemistry in water.
Collective modes in simple melts: Transition from soft spheres to the hard sphere limit
Authors: Khrapak Sergey , Klumov Boris , Couëdel Lénaïc
Published: August 2017

We study collective modes in a classical system of particles with repulsive inverse-power-law (IPL) interactions in the fluid phase, near the fluid-solid coexistence (IPL melts). The IPL exponent is varied from n = 10 to n = 100 to mimic the transition from moderately soft to hard-sphere-like interactions. We compare the longitudinal dispersion relations obtained using molecular dynamic (MD) simulations with those calculated using the quasi-crystalline approximation (QCA) and find that this simple theoretical approach becomes grossly inaccurate for $$n\,\gtrsim 20$$
n

≳
20
. Similarly, conventional expressions for high-frequency (instantaneous) elastic moduli, predicting their divergence as n increases, are meaningless in this regime. Relations of the longitudinal and transverse elastic velocities of the QCA model to the adiabatic sound velocity, measured in MD simulations, are discussed for the regime where QCA is applicable. Two potentially useful freezing indicators for classical particle systems with steep repulsive interactions are discussed.
Influence of temperature on methane hydrate formation
Authors: Zhang Peng , Wu Qingbai , Mu Cuicui
Published: August 2017

During gas hydrate formation process, a phase transition of liquid water exists naturally, implying that temperature has an important influence on hydrate formation. In this study, methane hydrate was formed within the same media. The experimental system was kept at 1.45, 6.49, and 12.91 °C respectively, and then different pressurization modes were applied in steps. We proposed a new indicator, namely the slope of the gas flow rates against time (dν
g
/dt), to represent the intrinsic driving force for hydrate formation. The driving force was calculated as a fixed value at the different stages of formation, including initial nucleation/growth, secondary nucleation/growth, and decay. The amounts of gas consumed at each stage were also calculated. The results show that the driving force during each stage follows an inverse relation with temperature, whereas the amount of consumed gas is proportional to temperature. This opposite trend indicates that the influences of temperature on the specific formation processes and final amounts of gas contained in hydrate should be considered separately. Our results also suggest that the specific ambient temperature under which hydrate is formed should be taken into consideration, when explaining the formation of different configurations and saturations of gas hydrates in natural reservoirs.
Disrupting glutamine metabolic pathways to sensitize gemcitabine-resistant pancreatic cancer
Authors: Chen Ru , Lai Lisa A , Sullivan Yumi , Wong Melissa , Wang Lei , Riddell Jonah , Jung Linda , Pillarisetty Venu G. , Brentnall Teresa A. , Pan Sheng
Published: August 2017

Pancreatic cancer is a lethal disease with poor prognosis. Gemcitabine has been the first line systemic treatment for pancreatic cancer. However, the rapid development of drug resistance has been a major hurdle in gemcitabine therapy leading to unsatisfactory patient outcomes. With the recent renewed understanding of glutamine metabolism involvement in drug resistance and immuno-response, we investigated the anti-tumor effect of a glutamine analog (6-diazo-5-oxo-L-norleucine) as an adjuvant treatment to sensitize chemoresistant pancreatic cancer cells. We demonstrate that disruption of glutamine metabolic pathways improves the efficacy of gemcitabine treatment. Such a disruption induces a cascade of events which impacts glycan biosynthesis through Hexosamine Biosynthesis Pathway (HBP), as well as cellular redox homeostasis, resulting in global changes in protein glycosylation, expression and functional effects. The proteome alterations induced in the resistant cancer cells and the secreted exosomes are intricately associated with the reduction in cell proliferation and the enhancement of cancer cell chemosensitivity. Proteins associated with EGFR signaling, including downstream AKT-mTOR pathways, MAPK pathway, as well as redox enzymes were downregulated in response to disruption of glutamine metabolic pathways.
A new scoring model for the prediction of mortality in patients with acute kidney injury
Authors: Luo Min , Yang Yuan , Xu Jun , Cheng Wei , Li Xu-Wei , Tang Mi-Mi , Liu Hong , Liu Fu-You , Duan Shao-Bin
Published: August 2017

Currently, little information is available to stratify the risks and predict acute kidney injury (AKI)-associated death. In this present cross-sectional study, a novel scoring model was established to predict the probability of death within 90 days in patients with AKI diagnosis. For establishment of predictive scoring model, clinical data of 1169 hospitalized patients with AKI were retrospectively collected, and 731 patients of them as the first group were analyzed by the method of multivariate logistic regression analysis to create a scoring model and further predict patient death. Then 438 patients of them as the second group were used for validating this prediction model according to the established scoring method. Our results showed that Patient’s age, AKI types, respiratory failure, central nervous system failure, hypotension, and acute tubular necrosis-individual severity index (ATN-ISI) score are independent risk factors for predicting the death of AKI patients in the created scoring model. Moreover, our scoring model could accurately predict cumulative AKI and mortality rate in the second group. In conclusion, this study identified the risk factors of 90-day mortality for hospitalized AKI patients and established a scoring model for predicting 90-day prognosis, which could help to interfere in advance for improving the quality of life and reduce mortality rate of AKI patients.
Water ingestion decreases cardiac workload time-dependent in healthy adults with no effect of gender
Authors: Monnard Cathriona Rosemary , Grasser Erik Konrad
Published: August 2017

Ingestion of water entails a variety of cardiovascular responses. However, the precise effect remains elusive. We aimed to determine in healthy adults the effect of water on cardiac workload and to investigate potential gender differences. We pooled data from two controlled studies where blood pressure (BP) and heart rate (HR) were continuously recorded before and after the ingestion of 355 mL of tap water. Additionally, we calculated double product by multiplying systolic BP with HR and evaluated spectral parameters referring to vagal tone. All parameters were investigated for potential differences based on gender. In response to water, HR, systolic BP, and double product decreased significantly during the first 30 min. However, these effects were attenuated for HR and double product and even abolished for systolic BP over the subsequent 30 min. Over the entire post-drink period (60 min), decreases in HR and double product (all P < 0.05) were observed. Spectral markers for vagal tone increased with the on-set of the water drink and remained elevated until the end (P < 0.005). No significant gender difference in cardiac workload parameters was observed. We provide evidence that drinking water decreases, in a time-dependent fashion, cardiac workload and that these responses appear not to be influenced by gender.
Pseudolaric acid B attenuates atopic dermatitis-like skin lesions by inhibiting interleukin-17-induced inflammation
Authors: Yang Zhen , Liu Meilun , Wang Wei , Wang Yiteng , Cao Bo , Gao Ying , Chen Hong , Li Tan
Published: August 2017

Pseudolaric acid B (PB), isolated from the extract of the root bark of Pseudolarix kaempferi Gordon, has been used as a traditional remedy for the treatment of skin diseases. However, the information of PB on atopic dermatitis (AD) remains largely unknown. In the present study, oral administration with PB improved the severity scores of AD-like skin lesions dose-dependently in NC/Nga mice through reducing serum IgE, pro-inflammatory cytokines, and the infiltration of inflammatory cells. In addition, PB significantly attenuated the levels of IL-17 and IL-22, and the proportion of Th17 cells in NC/Nga mice, as well as decreased IL-17-induced inflammation in RAW264.7 cells. Moreover, PB inhibited the phosphorylation of IκBα and miR-155 expression both in NC/Nga mice and in IL-17-stimulated RAW264.7 cells, which could be reversed by GW9662, a specific antagonist for PPARγ. The incorporation of GW9662 reversed the inhibitory effect of PB on the RORγ-mediated activation of the Il17 promoter. Transfection with PPARγ luciferase reporter gene further demonstrated the enhancement of PB on PPARγ transactivation. These findings indicate that PB could ameliorate AD-like skin lesions by inhibiting IL-17-induced inflammation in a PPARγ-dependent manner, which would provide experimental evidence of PB for the therapeutic potential on AD and other inflammatory skin diseases.
The tomato histone deacetylase SlHDA1 contributes to the repression of fruit ripening and carotenoid accumulation
Authors: Guo Jun-E , Hu Zongli , Zhu Mingku , Li Fenfen , Zhu Zhiguo , Lu Yu , Chen Guoping
Published: August 2017

Histone deacetylation is one of the well characterized post-translational modifications related to transcriptional repression in eukaryotes. The process of histone deacetylation is achieved by histone deacetylases (HDACs). Over the last decade, substantial advances in our understanding of the mechanism of fruit ripening have been achieved, but the role of HDACs in this process has not been elucidated. In our study, an RNA interference (RNAi) expression vector targeting SlHDA1 was constructed and transformed into tomato plants. Shorter fruit ripening time and decreased storability were observed in SlHDA1 RNAi lines. The accumulation of carotenoid was increased through an alteration of the carotenoid pathway flux. Ethylene content, ethylene biosynthesis genes (ACS2, ACS4 and ACO1, ACO3) and ripening-associated genes (RIN, E4, E8, Cnr, TAGL1, PG, Pti4 and LOXB) were significantly up-regulated in SlHDA1 RNAi lines. In addition, the expression of fruit cell wall metabolism genes (HEX, MAN, TBG4, XTH5 and XYL) was enhanced compared with wild type. Furthermore, SlHDA1 RNAi seedlings displayed shorter hypocotyls and were more sensitive to ACC (1-aminocyclopropane-1-carboxylate) than the wild type. The results of our study indicate that SlHDA1 functions as a negative regulator of fruit ripening by affecting ethylene synthesis and carotenoid accumulation.
Temperature-induced oligomerization of polycyclic aromatic hydrocarbons at ambient and high pressures
Authors: Chanyshev Artem D. , Litasov Konstantin D. , Furukawa Yoshihiro , Kokh Konstantin A. , Shatskiy Anton F.
Published: August 2017

Temperature-induced oligomerization of polycyclic aromatic hydrocarbons (PAHs) was found at 500–773 K and ambient and high (3.5 GPa) pressures. The most intensive oligomerization at 1 bar and 3.5 GPa occurs at 740–823 K. PAH carbonization at high pressure is the final stage of oligomerization and occurs as a result of sequential oligomerization and polymerization of the starting material, caused by overlapping of π-orbitals, a decrease of intermolecular distances, and finally the dehydrogenation and polycondensation of benzene rings. Being important for building blocks of life, PAHs and their oligomers can be formed in the interior of the terrestrial planets with radii less than 2270 km.
Inflammation-mediated SOD-2 upregulation contributes to epithelial-mesenchymal transition and migration of tumor cells in aflatoxin G1-induced lung adenocarcinoma
Authors: Yi Li , Shen Haitao , Zhao Mei , Shao Peilu , Liu Chunping , Cui Jinfeng , Wang Juan , Wang Can , Guo Ningfei , Kang Lifei , Lv Ping , Xing Lingxiao , Zhang Xianghong
Published: August 2017

Tumor-associated inflammation plays a critical role in facilitating tumor growth, invasion and metastasis. Our previous study showed Aflatoxin G1 (AFG1) could induce lung adenocarcinoma in mice. Chronic lung inflammation associated with superoxide dismutase (SOD)-2 upregulation was found in the lung carcinogenesis. However, it is unclear whether tumor-associated inflammation mediates SOD-2 to contribute to cell invasion in AFG1-induced lung adenocarcinoma. Here, we found increased SOD-2 expression associated with vimentin, α-SMA, Twist1, and MMP upregulation in AFG1-induced lung adenocarcinoma. Tumor-associated inflammatory microenvironment was also elicited, which may be related to SOD-2 upregulation and EMT in cancer cells. To mimic an AFG1-induced tumor-associated inflammatory microenvironment in vitro, we treated A549 cells and human macrophage THP-1 (MΦ-THP-1) cells with AFG1, TNF-α and/or IL-6 respectively. We found AFG1 did not promote SOD-2 expression and EMT in cancer cells, but enhanced TNF-α and SOD-2 expression in MΦ-THP-1 cells. Furthermore, TNF-α could upregulate SOD-2 expression in A549 cells through NF-κB pathway. Blocking of SOD-2 by siRNA partly inhibited TNF-α-mediated E-cadherin and vimentin alteration, and reversed EMT and cell migration in A549 cells. Thus, we suggest that tumor-associated inflammation mediates SOD-2 upregulation through NF-κB pathway, which may contribute to EMT and cell migration in AFG1-induced lung adenocarcinoma.Introduction.
Investigation on Ti6Al4V-V-Cr-Fe-SS316 Multi-layers Metallic Structure Fabricated by Laser 3D Printing
Authors: Li Wei , Liou Frank , Newkirk Joseph , Taminger Karen M. Brown , Seufzer William J.
Published: August 2017

Joining titanium alloy and stainless steel is becoming an urgent need since their outstanding mechanical properties can be utilized integratedly. However, direct fusion joining of Ti6Al4V to SS316 can cause brittle Ti-Fe intermetallics which compromise join bonds’ mechanical properties. In this research, Laser 3D Printing was applied to explore a new Ti6Al4V to SS316 multi-metallic structure. A novel filler transition route was introduced (Ti6Al4V → V → Cr → Fe → SS316) to avoid the Ti-Fe intermetallics. Two experimental cases were performed for comparison to evaluate this novel route’s effect. In the first case, SS316 layer was directly deposited on Ti6Al4V substrate by laser 3D printing, but the sample cracked in the printing process. Then fracture morphology, phase identification, and micro-hardness were analyzed. In the second case, a multi-metallic structure was fabricated via laser 3D printing following the transition route. Microstructure characterization and composition distribution were analyzed via scanning electron microscope(SEM) and energy dispersive spectrometry(EDS). x-ray diffraction(XRD) tests demonstrated the intermetallics were effectively avoided following the transition route. Vickers hardness number(VHN) showed no significant hard brittle phases in the sample. Comparing with directly depositing SS316 on Ti6Al4V, the usage of the novel transition route can eliminate the intermetallics effectively. These research results are good contributions in joining titanium alloy and stainless steel.
Balance between Estrogens and Proinflammatory Cytokines Regulates Chemokine Production Involved in Thymic Germinal Center Formation
Authors: Dragin Nadine , Nancy Patrice , Villegas José , Roussin Régine , Le Panse Rozen , Berrih-Aknin Sonia
Published: August 2017

The early-onset form of Myasthenia Gravis (MG) is prevalent in women and associates with ectopic germinal centers (GCs) development and inflammation in the thymus. we aimed to investigate the contribution of estrogens in the molecular processes involved in thymic GCs formation. We examined expression of genes involved in anti-acetylcholine receptor (AChR) response in MG, MHC class II and α-AChR subunit as well as chemokines involved in GC development (CXCL13, CCL21and CXCL12). In resting conditions, estrogens have strong regulatory effects on thymic epithelial cells (TECs), inducing a decreased protein expression of the above molecules. In knockout mouse models for estrogen receptor or aromatase, we observed that perturbation in estrogen transduction pathway altered MHC Class II, α-AChR, and CXCL13 expression. However, in inflammatory conditions, estrogen effects were partially overwhelmed by pro-inflammatory cytokines. Interestingly, estrogens were able to control production of type I interferon and therefore play dual roles during inflammatory events. In conclusion, we showed that estrogens inhibited expression of α-AChR and HLA-DR in TECs, suggesting that estrogens may alter the tolerization process and favor environment for an autoimmune response. By contrast, under inflammatory conditions, estrogen effects depend upon strength of the partner molecules with which it is confronted to.
Spectroscopic observation of oxygen dissociation on nitrogen-doped graphene
Authors: Scardamaglia Mattia , Susi Toma , Struzzi Claudia , Snyders Rony , Di Santo Giovanni , Petaccia Luca , Bittencourt Carla
Published: August 2017

Carbon nanomaterials’ reactivity towards oxygen is very poor, limiting their potential applications. However, nitrogen doping is an established way to introduce active sites that facilitate interaction with gases. This boosts the materials’ reactivity for bio-/gas sensing and enhances their catalytic performance for the oxygen reduction reaction. Despite this interest, the role of differently bonded nitrogen dopants in the interaction with oxygen is obscured by experimental challenges and has so far resisted clear conclusions. We study the interaction of molecular oxygen with graphene doped via nitrogen plasma by in situ high-resolution synchrotron techniques, supported by density functional theory core level simulations. The interaction leads to oxygen dissociation and the formation of carbon-oxygen single bonds on graphene, along with a band gap opening and a rounding of the Dirac cone. The change of the N 1 s core level signal indicates that graphitic nitrogen is involved in the observed mechanism: the adsorbed oxygen molecule is dissociated and the two O atoms chemisorb with epoxy bonds to the nearest carbon neighbours of the graphitic nitrogen. Our findings help resolve existing controversies and offer compelling new evidence of the ORR pathway.
Selective effects of non-thermal atmospheric plasma on triple-negative breast normal and carcinoma cells through different cell signaling pathways
Authors: Liu Yuan , Tan Sheng , Zhang Hao , Kong Xiangjun , Ding Lili , Shen Jie , Lan Yan , Cheng Cheng , Zhu Tao , Xia Weidong
Published: August 2017

Non-thermal atmospheric plasma (NTP) has shown its selective anticancer effects in many types of tumors in vitro and one of the main mechanisms is that the different increase of intracellular ROS in cancer and homologous normal cells. In this study, we report that NTP treatment reduces the proliferation in triple negative breast cancer (TNBC) and normal cell lines. Simultaneously, STAT3 pathway is inhibited by NTP effects. However, it is observed that normal cells MCF10A are more sensitive to ROS toxicity induced by NTP than cancer cells MDA-MB-231. When 5 mM of ROS inhibitor N-acetyl cysteine (NAC) is employed in NTP treatments, the proliferation of normal breast cells MCF10A recovers. Meanwhile, NTP effects remain significant inhibition of MDA-MB-231 cells. Our results further reveal that NTP can induce apoptosis in MDA-MB-231 cells through inhibiting interleukin-6 receptor (IL-6R) pathway. Moreover, the mechanism of NTP anti-cancer selectivity relates to constantly HER2/Akt activation induced by NTP especially in MCF10A cells but not in MDA-MB-231 cells. Therefore, these two different cell signaling pathways induced by NTP treatments in TNBC and homologous normal cells make NTP becoming a potential tool in future therapy.
Raman and infrared spectroscopy differentiate senescent from proliferating cells in a human dermal fibroblast 3D skin model
Authors: Eberhardt Katharina , Matthäus Christian , Winter Doreen , Wiegand Cornelia , Hipler Uta-Christina , Diekmann Stephan , Popp Jürgen
Published: August 2017

Senescence-associated alterations were detected in biomolecules of 3D cultured cells and these cells were distinguished from 2D cultured cells.
Emulsification liquid–liquid microextraction based on deep eutectic solvents: an extraction method for the determination of sulfonamides in water samples
Authors: Liu Lingling , Zhu Tao
Published: August 2017

In this study, a simple, inexpensive and sensitive method named emulsification liquid–liquid microextraction based on deep eutectic solvents (ELLME-DES) was used for the extraction of sulfonamides (SAs) from water samples, including sulfadiazine (SDZ), sulfamerazine (SMR), sulfametoxydiazine (SDD) and sulfamethoxazole (SMX).
Visible-light-enhanced power generation in microbial fuel cells coupling with 3D nitrogen-doped graphene
Authors: Guo Dan , Song Rong-Bin , Shao Hao-Hua , Zhang Jian-Rong , Zhu Jun-Jie
Published: August 2017

A high performance visible-light-assisted MFC was successfully fabricated based on the synergistic effect between a novel 3D NG-SS anode and a visible-light responsive CuS photocathode.
2,2-Diiododimedone: a mild electrophilic iodinating agent for the selective synthesis of α-iodoketones from allylic alcohols
Authors: Martinez-Erro Samuel , Bermejo Gómez Antonio , Vázquez-Romero Ana , Erbing Elis , Martín-Matute Belén
Published: August 2017

In combination with an iridium catalyst, a new electrophilic iodinating agent enables the synthesis of α-iodocarbonyls from allylic alcohols.
Naphthol synthesis: annulation of nitrones with alkynes via rhodium(iii)-catalyzed C–H activation
Authors: Wang Qiang , Xu Youwei , Yang Xifa , Li Yunyun , Li Xingwei
Published: August 2017

An efficient and redox-neutral naphthol synthesis has been realized via rhodium(iii) catalyzed C–H activation of α-carbonyl nitrones and annulation with alkynes, where the nitrone group functioned as a traceless directing group.
Enhanced selectivity of methane production for photocatalytic reduction by the piezoelectric effect
Authors: Wang Kaiqiang , Fang Zhibin , Huang Xueyan , Feng Wenhui , Wang Yaozhu , Wang Bo , Liu Ping
Published: August 2017

Under simultaneous full arc light and ultrasonic irradiation, photo-generated electrons are brought together by piezoelectric potential, and thus dense electrons induce the reduction of carbon dioxide on the surface of piezoelectric semiconductors, resulting in an improved selectivity of methane production to a greater degree.
Cyanide vs. azide “magnetic arm wrestling”: MnII–NbIVand MnII–MoIVmagnetic coordination polymers with mixed bridging
Authors: Handzlik Gabriela , Kozieł Marcin , Olejniczak Anna , Sieklucka Barbara , Pinkowicz Dawid
Published: August 2017

The magnetic coupling abilities of cyanide and azide are put to the test within an unprecedented cyanide–azide bimetallic coordination polymer. The resulting non-trivial magnetic behavior suggests a non-collinear magnetic structure arising from the competing antiferromagnetic interactions through the cyanide and azide.
Orientational ordering of water in extended hydration shells of cations is ion-specific and is correlated directly with viscosity and hydration free energy
Authors: Chen Yixing , Okur Halil I. , Liang Chungwen , Roke Sylvie
Published: August 2017

Specific ion effects in aqueous solutions are investigated at the molecular, nanoscopic and macroscopic levels.
Spin polynomial similarity transformation for repulsive Hamiltonians: interpolating between coupled cluster and spin-projected unrestricted Hartree–Fock
Authors: Gomez John A. , Degroote Matthias , Zhao Jinmo , Qiu Yiheng , Scuseria Gustavo E.
Published: August 2017

Our overarching goal is to be able to describe both weak and strong correlation with a single, computationally affordable method without sacrificing important qualities of the wavefunction, e.g. symmetries of the Hamiltonian.
Correlation between collective and molecular dynamics in pH-responsive cyclodextrin-based hydrogels
Authors: Bottari C. , Comez L. , Corezzi S. , D'Amico F. , Gessini A. , Mele A. , Punta C. , Melone L. , Pugliese A. , Masciovecchio C. , Rossi B.
Published: August 2017

The joint use of UV Raman and Brillouin scattering experiments is employed to explore phase evolutions in pH-responsive polysaccharide hydrogels.
Towards completing the cyclopropenylidene cycle: rovibrational analysis of cyclic N3+, CNN, HCNN+, and CNC−
Authors: Fortenberry Ryan C. , Lee Timothy J. , Huang Xinchuan
Published: August 2017

The simple aromatic hydrocarbon, cyclopropenylidene (c-C3H2), is a known, naturally-occurring molecule. The rovibrational spectra of four isoelectronic species are quantum chemically derived in order to assist in the detection of these related species.
Unexpected formation of scheelite-structured Ca1−xCdxWO4 (0 ≤ x ≤ 1) continuous solid solutions with tunable photoluminescent and electronic properties
Authors: Wang Yunjian , Wu Changjiang , Geng Lei , Chen Shifu
Published: August 2017

Herein, we report the unexpected formation of scheelite-structured Ca1−xCdxWO4 continuous solid solution in the whole chemical composition range.
The role of inorganic materials in renewable energy applications
Authors: Feng Pingyun , Zou Zhigang
Published: August 2017

Welcome to this themed issue of Dalton Transactions entitled: ‘The role of inorganic materials in renewable energy applications’.
Microfluidic co-flow of Newtonian and viscoelastic fluids for high-resolution separation of microparticles
Authors: Tian Fei , Zhang Wei , Cai Lili , Li Shanshan , Hu Guoqing , Cong Yulong , Liu Chao , Li Tiejun , Sun Jiashu
Published: August 2017

A microfluidic co-flow of Newtonian (water or PBS) and viscoelastic fluids (PEO) is presented for the size-dependent separation of microparticles.
Time-sequenced drug delivery approaches towards effective chemotherapeutic treatment of glioma
Authors: Li Menghuan , Luo Zhong , Xia Zhining , Shen Xinkun , Cai Kaiyong
Published: August 2017

This review summarizes the recent progress in the development of multistage drug delivery nanosystems for the chemotherapeutic treatment of gliomas.
Trace detection of homologues and isomers based on hollow mesoporous silica sphere photonic crystals
Authors: Xiong Chengjia , Zhao Jiupeng , Wang Lebin , Geng Hongbin , Xu Hongbo , Li Yao
Published: August 2017

Hollow mesoporous silica sphere photonic crystal sensors show high sensitivity and distinguishability in detecting homologues and isomers.
P3-type K0.33Co0.53Mn0.47O2·0.39H2O: a novel bifunctional electrode for Na-ion batteries
Authors: Wang Sai , Sun Tao , Yuan Shuang , Zhu Yun-hai , Zhang Xin-bo , Yan Jun-min , Jiang Qing
Published: August 2017

P3-type K0.33Co0.53Mn0.47O2·0.39H2O is synthesized through an easily-operated sol–gel method and it delivers considerable Na ion storage abilities either as a cathode or an anode.
Simultaneous detection of clenbuterol and ractopamine based on multiplexed competitive surface enhanced Raman scattering (SERS) immunoassay
Authors: Yu Meng , Hu Yongjun , Liu Jianzhi
Published: August 2017

In this work, we demonstrate a competitive surface-enhanced Raman scattering (SERS) immunoassay for multiplexed detection of clenbuterol and ractopamine.
A facile approach to fabricating organosilica layered material with sulfonic groups as an efficient filler for polymer electrolyte nanocomposites
Authors: Enotiadis Apostolos , Boutsika Lamprini G. , Spyrou Konstantinos , Simari Cataldo , Nicotera Isabella
Published: August 2017

One-pot synthesis of silica layered nanofillers decorated by sulfonic groups and their use for nafion nanocomposites with improved conductivity.
Evaluation and comparison of N-cycloalkylformylated chitosan bis(arylcarbamate)s as chiral selectors for enantioseparation
Authors: Bai Zheng-Wu , Yang Fei , Fu Ke-Qin , Wang Xiao-Chen , Liu Jian-De , Chen Wei , Huang Shao-Hua , Tang Sheng
Published: August 2017

Chiral separation materials were prepared by coating chitosan bis(3,5-dimethylphenylcarbamate)-(N-cycloalkylformamide)s onto silica gel for enantiomeric separations.
Efficient catalytic application of a binary ionic liquid mixture in the synthesis of novel spiro[4H-pyridine-oxindoles]
Authors: Yaghoubi Kalurazi Sorayya , Rad-Moghadam Kurosh , Moradi Shahram
Published: August 2017

Novel pyrazole-fused spiro[4H-pyridine-oxindoles] were synthesized under the catalysis of the binary ionic liquid mixture [1,1,3,3-tetramethylguanidinium chloride][1-methylimidazolium-3-sulfonate] in solvent-free conditions.
Substituent effect on the N-oxidation of 1,10-phenanthroline derivatives by peroxomonosulfate ion
Authors: Najóczki Ferenc , Bellér Gábor , Szabó Mária , Fábián István
Published: August 2017

Both the acidity of a series of substituted 1,10-phenanthrolines and their reactivity towardsN-oxidation are predominantly governed by electronic effects.
Electrostatic interaction driven gold nanoparticle assembly on three-dimensional triangular pyramid DNA nanostructures
Authors: Song Jaejung , Park Sungmin , Kim Sehwan , Im Kyuhyun , Park Nokyoung
Published: August 2017

The electrostatic attraction between DNA structures and AuNPs has shown nonspecific assembly behavior and allowed tunable plasmonic absorption peaks.
Determination of mercury in aquatic systems by DGT device using thiol-modified carbon nanoparticle suspension as the liquid binding phase
Authors: Wu Tianxing , Wang Guozhong , Zhang Yunxia , Kong Mingguang , Zhao Huijun
Published: August 2017

DGT device using SH-CNPs as the liquid binding phase and cellulose acetate membrane as the diffusive layer is demonstrated for determination of Hg2+ in natural waters.
Facile construction of reduced graphene oxide–carbon dot complex embedded molecularly imprinted polymers for dual-amplification and selective electrochemical sensing of rutoside
Authors: Guo Huijun , Gui Rijun , Jin Hui , Wang Zonghua
Published: August 2017

This article reported reduced graphene oxide–carbon dot embedded molecularly imprinted polymers for sensitive and selective electrochemical sensing of rutoside.
Magnetoelastoelectric coupling in core–shell nanoparticles enabling directional and mode-selective magnetic control of THz beam propagation
Authors: Dutta Moumita , Natarajan Kamaraju , Betal Soutik , Prasankumar Rohit P. , Bhalla Amar S. , Guo Ruyan
Published: August 2017

Magnetoelastoelectric coupling in engineered biphasic core–shell nanocomposites demonstrates a dynamically tunable magnetic-field direction defined THz amplitude/phase modulation mode-switch.
The prediction of a family group of two-dimensional node-line semimetals
Authors: Jin Yuan-Jun , Wang Rui , Zhao Jin-Zhu , Du Yong-Ping , Zheng Can-Di , Gan Li-Yong , Liu Jun-Feng , Xu Hu , Tong S. Y.
Published: August 2017

Using first-principles calculations, we predict a family group of two-dimensional semimetals MX (M = Pd, Pt; X = S, Se, Te), which has a zig-zag type mono-layer structure in thePmma(no. 41) layer group.
Dinuclear zinc complex catalyzed asymmetric methylation and alkynylation of aromatic aldehydes
Authors: Liu Shanshan , Li Gao-Wei , Yang Xiao-Chao , Zhang De-Yang , Wang Min-Can
Published: August 2017

A general AzePhenol dinuclear zinc catalytic system has been successfully developed and introduced into the asymmetric addition of dimethylzinc and alkynylzinc to aromatic aldehydes.
Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes
Authors: Liu Xu , Tian Lei , Wu Zhenqiang , Zhao Xianyuan , Wang Zikuan , Yu Donggeng , Fu Xuefeng
Published: August 2017

Synthesis of polymers with well-defined functional groups at α and ω ends by using carefully designed organocobalt complexes has been accomplished.
A preorganized dual H-bond donor promotes benzoic acid active in the polymerization of δ-valerolactone
Authors: Sun Herui , Xu Songquan , Li Zhenjiang , Xu Jiaxi , Liu Jingjing , Wang Xin , Wang Haixin , Dong He , Liu Yaya , Guo Kai
Published: August 2017

An enzyme-mimetic model follows squalene hopene cyclase is success in catalysis of ROP of δ-valerolactone in solution at room temperature by a carboxylic “strong” acid.
Personal Perceptions and Perceived Public Opinion About Stuttering in the United States: Implications for Anti-Stigma Campaigns
Authors: Boyle Michael P.
Published: August 2017

Purpose

This exploratory study was the first to obtain quantitative and qualitative data on both personal perceptions and perceived public opinion about stuttering in order to identify topics to include in anti-stigma programs for stuttering.

Method

Three-hundred ten adults in the United States completed a web survey that assessed knowledge about stuttering and attitudes toward people who stutter (PWS) with questions addressing personal perceptions (direct questions) and perceived public opinion (indirect questions).

Results

Many participants reported favorable personal perceptions of PWS regarding their intelligence, competence, and potential for success. However, most participants did not personally believe PWS were confident, and most believed they were shy. Perceived public opinion was more unfavorable as a majority agreed that the public is uncomfortable talking with PWS and that the public would recommend PWS avoid jobs requiring high speech demands and avoid talking to large audiences. A minority of participants agreed PWS are perceived publicly as capable or mentally healthy.

Conclusions

The survey demonstrated misunderstandings and negative perceptions of PWS, especially when measured with perceived public opinion. Results can increase our understanding of content areas that should be included in anti-stigma programs for stuttering and highlight different methods for analyzing public perceptions of stuttering.
1,3,4-Oxadiazole and Heteroaromatic-Fused 1,2,4-Triazole Synthesis­ Using Diverted Umpolung Amide Synthesis
Authors: Tokumaru Kazuyuki , Bera Kalisankar , Johnston Jeffrey
Published: August 2017

Umpolung Amide Synthesis (UmAS) has emerged as a superior alternative to conventional amide synthesis methods based on carbonyl electrophiles in a range of situations, particularly when epimerization-prone couplings are prescribed. In an unanticipated development during our most recent studies, we discovered that diacyl hydrazide products from UmAS were not formed as intermediates when using an acyl hydrazide as the amine acceptor. This resulted in a new preparation of 1,3,4-oxadiazoles from α-bromonitroalkane donors. We hypothesized that a key tetrahedral intermediate in UmAS was diverted toward a more direct pathway to the heterocycle product rather than through formation of the diacyl hydrazide, a typical oxadiazole progenitor. In studies reported here, diversion to 1,2,4-triazole products is described, a behavior hypothesized to also result from an analogous tetrahedral intermediate, but one formed from heteroaromatic hydrazine acceptors.
Vinylation of Iododifluoromethylated Alcohols via a Light-Promoted Intramolecular Atom-Transfer Reaction
Authors: Dilman Alexander , Panferova Liubov , Struchkova Marina
Published: August 2017

A method for the synthesis of gem-difluorohomoallylic alcohols by the substitution of iodine in the iododifluoromethyl group by a vinyl fragment is described. The reaction proceeds via an intramolecular iodine atom transfer followed by β-elimination. The reaction is performed in the presence of an iridium photocatalyst, fac-Ir(ppy)3, and triphenylphosphine under irradiation with light-emitting diodes.
Fetal Skeletal Lethal Dysplasia: Case Report
Authors: Savoldi Alexandre Mello , Villar Maria Auxiliadora Monteiro , Machado Heloisa Novaes , Llerena Júnior Juan C.
Published: August 2017

The clinical management and decision-making in pregnancies in which there is suspicion of lethal fetal malformations during the prenatal period, such as lethal skeletal dysplasia (SD), demand a multidisciplinary approach coordinated by an experienced physician. Based on the presentation of a case of osteogenesis imperfecta type IIA, we offer and discuss recommendations with the intention of organizing clinical and laboratory investigations aiming toward the clinical management, prognosis, and etiological diagnosis of these malformations, as well as genetic counselling to patients who wish to become pregnant.
Detection of High-Risk Human Papillomavirus in Cervix Sample in an 11.3-year Follow-Up after Vaccination against HPV 16/18
Authors: Teixeira Cirbia Silva Campos , Teixeira Julio Cesar , Oliveira Eliane Regina Zambelli Mesquita , Machado Helymar Costa , Zeferino Luiz Carlos
Published: August 2017

Purpose the aim of this study was to evaluate the pattern of human papillomavirus (HPV) detection in an 11.3-year post-vaccination period in a cohort of adolescent and young women vaccinated or not against HPV 16/18.

Methods a subset of 91 women from a single center participating in a randomized clinical trial (2001–2010, NCT00689741/00120848/00518336) with HPV 16/18 AS04-adjuvanted vaccine was evaluated. All women received three doses of the HPV vaccine (n = 48) or a placebo (n = 43), and cervical samples were collected at 6-month intervals. Only in this center, one additional evaluation was performed in 2012. Up to 1,492 cervical samples were tested for HPV-DNA and genotyped with polymerase chain reaction (PCR). The vaccine group characteristics were compared by Chi-square or Fisher exact or Mann-Whitney test. The high-risk (HR)-HPV 6-month-persistent infection rate was calculated. The cumulative infection by HPV group was evaluated by the Kaplan-Meier method and the log-rank test.

Results the cumulative infection with any type of HPV in an 11.3-year period was 67% in the HPV vaccine group and 72% in the placebo group (p = 0.408). The longitudinal analysis showed an increase of 4% per year at risk for detection of HR-HPV (non-HPV 16/18) over time (p = 0.015), unrelated to vaccination. The cumulative infection with HPV 16/18 was 4% for the HPV vaccine group and 29% for the placebo group (p = 0.003). There were 43 episodes of HR-HPV 6-month persistent infection, unrelated to vaccination.

Conclusions this study showed the maintenance of viral detection rate accumulating HR-HPV (non-HPV-16–18) positive tests during a long period post-vaccination, regardless of prior vaccination. This signalizes that the high number of HPV-positive tests may be maintained after vaccination.
Trends in the Prevalence of Live Macrosomic Newborns According to Gestational Age Strata, in Brazil, 2001–2010, and 2012–2014
Authors: Nascimento Maria Isabel do , Pereira Daniele Francine , Lopata Calliana , Oliveira Carina Ladeia Flores , Moura Ariane Arruda de , Mattos Maria Júlia da Silva , Silva Lucas Saraiva da
Published: August 2017

Purpose To describe the trends in the prevalence of macrosomia (birth weight ≥ 4,000 g) according to gestational age in Brazil in the periods of 2001–2010 and 2012–2014.

Methods Ecological study with data from the Brazilian Live Birth Information System (SINASC, in the Portuguese acronym) regarding singleton live newborns born from 22 gestational weeks. The trends in Brazil as a whole and in each of its five regions were analyzed according to preterm (22–36 gestational weeks) and term (37–42 gestational weeks) strata. Annual Percent Changes (APCs) based on the Prais-Winsten method and their respective 95% confidence intervals (CIs) were used to verify statistically significant changes in 2001–2010.

Results In Brazil, the prevalence of macrosomic births was of 5.3% (2001–2010) and 5.1% (2012–2014). The rates were systematically higher in the North and Northeast Regions both in the preterm and in term strata. In the preterm stratum, the North Region presented the highest variation in the prevalence of macrosomia (+137.5%) when comparing 2001 (0.8%) to 2010 (1.9%). In the term stratum, downward trends were observed in Brazil as a whole and in every region. The trends for 2012–2014 were more heterogeneous, with the prevalence systematically higher than that observed for 2001–2010. The APC in the preterm stratum (2001–2010) showed a statistically significant trend change in the North (APC: 15.4%; 95%CI: 0.6–32.3) and South (APC: 13.5%; 95%CI: 4.8–22.9) regions. In the term stratum, the change occurred only in the North region (APC:−1.5%; 95%CI: −2.5–−0.5).

Conclusion The prevalence of macrosomic births in Brazil was higher than 5.0%. Macrosomia has potentially negative health implications for both children and adults, and deserves close attention in the public health agenda in Brazil, as well as further support for investigation and intervention.