bluuebunny/crossref_metadata_2025 huggingface dataset:
Early Cycladic fortified settlements: aspects of cultural continuity and change in the Cyclades during the third millennium BC
Authors: Angelopoulou Anastasia
Published: February 2018

Early Cycladic culture (third millennium BC) has been a focus of scientific interest since the late 19th century. Our knowledge of Early Cycladic civilization is based primarily on evidence gathered from a substantial number of cemeteries that have been discovered in various parts of the Cyclades. In comparison, excavations of Early Cycladic settlements are few in number. Thus, habitation comprises an essential yet understudied field of research.

Despite these limitations, fieldwork as well as material and analytical studies conducted over the period 2000–2017 have contributed to a far better understanding of Early Cycladic habitation patterns. Excavations and/or publications of important sites, such as Chalandriani and Kastri on Syros, Skarkos on Ios, Dhaskalio and Kavos on Keros, Markiani on Amorgos and Korfari ton Amygdalion (Panormos) on Naxos, have revealed significant new evidence regarding the development and character of Early Cycladic civilization.
Development and preliminary testing of the Brief Developmental Assessment: an early recognition tool for children with heart disease
Authors: Wray Jo , Brown Katherine L. , Ridout Deborah , Lakhanpaul Monica , Smith Liz , Scarisbrick Angie , O’Curry Sara , Hoskote Aparna
Published: February 2018

Introduction

Neurodevelopmental abnormalities are common in children with CHD and are the highest-priority concerns for parents and professionals following cardiac surgery in childhood. There is no additional routine monitoring of development for children with CHD in the United Kingdom; hence, neurodevelopmental concerns may be detected late, precluding early referral and intervention.

Methods

An early recognition tool – the “Brief Developmental Assessment” – was developed using quality improvement methodology involving several iterations and rounds of pilot testing. Our requirements were for a tool covering important developmental domains and practicable for use within inpatient and outpatient settings by paediatric cardiac health professionals who are non-developmental specialists, without specialised equipment and which involved direct observation, as well as parental report.

Results

Items were included in the tool based on existing developmental measures, covering the domains of gross and fine motor skills, daily living skills, communication, socialisation, and general understanding. Items were developed for five age bands – 0–16 weeks, 17–34 weeks, 35–60 weeks, 15 months–2.9 years, and 3–4.9 years – and the final versions included a traffic light scoring system for identifying children with possible delay in any or all domains. Preliminary testing indicated excellent inter-rater reliability, an ability to detect children with a diagnosis known to be associated with developmental delay, and largely acceptable internal reliability.

Conclusion

We report the evolution and preliminary testing of an early recognition tool for assessing the development of children with heart disease; this was encouraging and sufficiently good to support further validation in a larger study.
Scientific Prometheanism and the Boundaries of Knowledge: Whither Goes AI?
Authors: Hao Tianhu
Published: February 2018

This article discusses John Milton’sParadise Lost, Mary Shelley’sFrankenstein, and the contemporary filmEx Machinaas a coherent group concerning the boundaries of knowledge and the perils of scientific Prometheanism. The development of AI (Artificial Intelligence) should be delimited and contained, if not curtailed or banned, and scientists ought to proceed in a responsible and cautious manner. An obsessive or excessive pursuit of knowledge, aiming to equal God and create humanoid beings, constitutes the essential feature of scientific Prometheanism, which can end in catastrophic destruction. BothFrankensteinandEx Machinastringently critique scientific Prometheanism as one aspect of modernity, and expose the real dangers that AIs pose to the very existence of humanity and civilization. InParadise Lost, Milton provides the epistemological framework forFrankensteinandEx Machina. The article concludes that the union of science and arts in science fiction (films) can be very productive.
The gendered attrition of architects in Australia
Authors: Matthewson Gill
Published: February 2018

That architects leave the profession is something that seems ‘known’. In addition, there has been continuous concern that women in particular leave. However, the extent of departure is unclear. Much of the information around these observations come from surveys, is anecdotal or study women in isolation from men. This paper provides some firmer data on the movement of men and women into and out of the profession using Australia as a case study. It collates and analyses historical and contemporary data to delineate the complex patterns of participation in and leaving of architecture.

While the sources of data are often limited and approximate, this analysis nonetheless highlights a number of factors affecting the tenure of architects in their profession. The economy is an obvious factor and the data mirrors the economic fate of the country. The paper firmly demonstrates that gender is a factor with a strong impact on leaving the profession – a movement that clearly adversely affects the diversity of the profession. A further factor in leaving is age, which interacts with gender: women begin to leave when young and men when older. Diversity is increasingly proving to be an important factor in the ability of an organisation or a profession to survive, let alone meet, the challenges and opportunities of the globalised twenty-first century.

The paper concludes with a plea for better data sources to better clarify how, and to what extent, biases nudge many architects out of the profession. Understanding the extent and nature of these biases helps the formulation of tactics to foster greater diversity to engender a more resilient profession.
A NOTE ON TREND GROWTH, UNEMPLOYMENT, AND OPTIMAL MONETARY POLICY
Authors: Lechthaler Wolfgang , Tesfaselassie Mewael F.
Published: February 2018

We analyze the implications of trend growth for optimal monetary policy in the presence of search and matching unemployment. We show that trend growth interacts importantly with the inefficiencies stemming from the labor market. Higher trend growth exacerbates the inefficiencies of the labor market and therefore calls for larger deviations from price stability. Our analysis implies that lower trend growth reduces not only the level but also the optimal volatility of the nominal interest rate.
Vitamin D status and intake of lactating Inuit women living in the Canadian Arctic
Authors: El Hayek Fares Jessy , Weiler Hope A
Published: February 2018

Objective

To determine the prevalence and correlates of healthy vitamin D status in lactating Inuit women living in remote regions of the Arctic.

Design

Cross-sectional.

Setting

Households were selected randomly in thirty-six communities of Nunavut, Nunatsiavut and Inuvialuit Settlement Region. Dietary intake was assessed using a 24 h recall and an FFQ. Anthropometric measurements, household living conditions, supplement use and health status were assessed. In fasting samples, serum 25-hydroxyvitaimn D (25(OH)D) was measured using a chemiluminescent assay (LIAISON; Diasorin Inc.).

Subjects

Lactating Inuit women participating in the 2007–2008 International Polar Year Inuit Health Survey conducted in the months of August to October.

Results

Among participants (n34), 8·8, 26·5 and 50·0 % had 25(OH)D concentrations at or above 75, 50 and 40 nmol/l, respectively. More than one-third of participants did not consume traditional foods during the previous day and only 11·3 % of total energy intake was derived from traditional foods. Only 14·7 % of the sample consumed the daily number of milk servings recommended by Canada’s Food Guide (two servings) for First Nations, Inuit and Métis. Using multivariable logistic regression to examine 25(OH)D≥40 nmol/l, only higher body fat was inversely correlated with 25(OH)D concentration.

Conclusions

The present study is the first to assess simultaneously vitamin D status and other known factors that affect it among lactating Inuit women living in remote communities in the Arctic. Healthy maternal vitamin D status was observed in 25 % of participants during the late summer and early autumn. This requires further assessment in a larger sample spanning more seasons.
Substrate integrated waveguide fed dual-frequency dual-linearly-polarized dielectric resonator antenna
Authors: Sharma Abhishek , Sarkar Anirban , Biswas Animesh , Akhtar M. Jaleel
Published: February 2018

In this paper, a single-feed dual-frequency dual-linearly-polarized dielectric resonator antenna is proposed which finds application in two- way internet satellite system and modern radar system. In order to achieve dual linear polarization at distinct frequencies, two rectangular dielectric resonators of same dimensions are excited in ${\rm TE}^{x}_{\delta 11}$ and ${\rm TE}^{y}_{1\delta 1}$ modes by a narrow longitudinal and transverse slot, respectively, etched on the top wall of the substrate integrated waveguide. The −10 dB impedance bandwidth of the proposed antenna is 6.76% for both the frequency bands. The antenna radiates along the broadside direction and the gain of the antenna varies from 5.37 to 6.24 dBi and 5.62–7.96 dBi across 8.14–8.71 GHz and 10.29–11.01 GHz, respectively.
Effect of mitochondrial uncouplers niclosamide ethanolamine (NEN) and oxyclozanide on hepatic metastasis of colon cancer
Authors: Alasadi Amer , Chen Michael , Swapna G. V. T. , Tao Hanlin , Guo Jingjing , Collantes Juan , Fadhil Noor , Montelione Gaetano T. , Jin Shengkan
Published: February 2018

Metabolism of cancer cells is characterized by aerobic glycolysis, or the Warburg effect. Aerobic glycolysis reduces pyruvate flux into mitochondria, preventing a complete oxidation of glucose and shunting glucose to anabolic pathways essential for cell proliferation. Here we tested a new strategy, mitochondrial uncoupling, for its potential of antagonizing the anabolic effect of aerobic glycolysis and for its potential anticancer activities. Mitochondrial uncoupling is a process that facilitates proton influx across the mitochondrial inner membrane without generating ATP, stimulating a futile cycle of acetyl- CoA oxidation. We tested two safe mitochondrial uncouplers, NEN (niclosamide ethanolamine) and oxyclozanide, on their metabolic effects and anti-cancer activities. We used metabolomic NMR to examine the effect of mitochondrial uncoupling on glucose metabolism in colon cancer MC38 cells. We further tested the anti-cancer effect of NEN and oxyclozanide in cultured cell models, APCmin/+ mouse model, and a metastatic colon cancer mouse model. Using a metabolomic NMR approach, we demonstrated that mitochondrial uncoupling promotes pyruvate influx to mitochondria and reduces various anabolic pathway activities. Moreover, mitochondrial uncoupling inhibits cell proliferation and reduces clonogenicity of cultured colon cancer cells. Furthermore, oral treatment with mitochondrial uncouplers reduces intestinal polyp formation in APCmin/+ mice, and diminishes hepatic metastasis of colon cancer cells transplanted intrasplenically. Our data highlight a unique approach for targeting cancer cell metabolism for cancer prevention and treatment, identified two prototype compounds, and shed light on the anti-cancer mechanism of niclosamide.
Human umbilical cord mesenchymal stem cell-derived extracellular vesicles promote lung adenocarcinoma growth by transferring miR-410
Authors: Dong Liyang , Pu Yanan , Zhang Lina , Qi Qianqian , Xu Lei , Li Wei , Wei Chuan , Wang Xiaofan , Zhou Sha , Zhu Jifeng , Wang Xuefeng , Liu Feng , Chen Xiaojun , Su Chuan
Published: February 2018

Although accumulating evidence has linked mesenchymal stem cells (MSCs) with tumor growth, the underlying mechanisms are poorly understood. Here, we demonstrated for the first time that human umbilical cord MSCs (hUCMSCs) dramatically increased the growth of lung adenocarcinoma (LUAD) cancer cells in a xenograft tumor model. Then, we observed that hUCMSC-derived extracellular vesicles (hUCMSC-EVs) contribute to the hUCMSC-promoted LUAD cell growth through a direct effect on LUAD cells. Furthermore, we showed that hUCMSC-EV-mediated LUAD growth is associated with increased proliferation and decreased apoptosis in LUAD cells, concomitant with reduced PTEN expression mediated by the hUCMSC-EV-transmitted miR-410. Our findings provide novel insights into the intercellular communications between cancer cells and MSCs through MSC-EV-miRNA and suggest that modification of hUCMSC-EVs might be an attractive therapeutic option for the clinical application of hUCMSC-EVs that would reduce unwanted side effects.
Selection of GalNAc-conjugated siRNAs with limited off-target-driven rat hepatotoxicity
Authors: Janas Maja M. , Schlegel Mark K. , Harbison Carole E. , Yilmaz Vedat O. , Jiang Yongfeng , Parmar Rubina , Zlatev Ivan , Castoreno Adam , Xu Huilei , Shulga-Morskaya Svetlana , Rajeev Kallanthottathil G. , Manoharan Muthiah , Keirstead Natalie D. , Maier Martin A. , Jadhav Vasant
Published: February 2018

Small interfering RNAs (siRNAs) conjugated to a trivalent N-acetylgalactosamine (GalNAc) ligand are being evaluated in investigational clinical studies for a variety of indications. The typical development candidate selection process includes evaluation of the most active compounds for toxicity in rats at pharmacologically exaggerated doses. The subset of GalNAc-siRNAs that show rat hepatotoxicity is not advanced to clinical development. Potential mechanisms of hepatotoxicity can be associated with the intracellular accumulation of oligonucleotides and their metabolites, RNA interference (RNAi)-mediated hybridization-based off-target effects, and/or perturbation of endogenous RNAi pathways. Here we show that rodent hepatotoxicity observed at supratherapeutic exposures can be largely attributed to RNAi-mediated off-target effects, but not chemical modifications or the perturbation of RNAi pathways. Furthermore, these off-target effects can be mitigated by modulating seed-pairing using a thermally destabilizing chemical modification, which significantly improves the safety profile of a GalNAc-siRNA in rat and may minimize the occurrence of hepatotoxic siRNAs across species.
Expedient syntheses of N-heterocycles via intermolecular amphoteric diamination of allenes
Authors: Ye Zhishi , Adhikari Sarju , Xia Yu , Dai Mingji
Published: February 2018

Saturated 1,4-diazo heterocycles including piperazines, 1,4-diazepanes, and 1,4-diazocanes, are highly important for therapeutic development, but their syntheses are often tedious. We describe here an amphoteric diamination strategy to unite readily available 1,2-, 1,3- or 1,4-diamine derivatives with electron-deficient allenes via a formal [n + 2] (n = 4, 5, 6) cyclization mode to produce the corresponding 1,4-diazo heterocycles in just one step. This strategy features mild reaction conditions, high functional group tolerance, and scalability (gram scale). The reagents used are cheap and readily available and no transition metal catalysts are needed. More sophisticated products containing trifluoromethyl group or bicyclic ring systems can be accessed via a one-pot procedure as well. Our mechanistic studies support that formation of mono-iodinated or chlorinated diamine intermediates is important for the desired transformation and the commonly proposed chloride-iodide exchange process and a radical N−C bond formation is unlikely when the combination of NCS/KI is used.
Route to high-energy density polymeric nitrogen t-N via He−N compounds
Authors: Li Yinwei , Feng Xiaolei , Liu Hanyu , Hao Jian , Redfern Simon A. T. , Lei Weiwei , Liu Dan , Ma Yanming
Published: February 2018

Polymeric nitrogen, stabilized by compressing pure molecular nitrogen, has yet to be recovered to ambient conditions, precluding its application as a high-energy density material. Here we suggest a route for synthesis of a tetragonal polymeric nitrogen, denoted t-N, via He-N compounds at high pressures. Using first-principles calculations with structure searching, we predict a class of nitrides with stoichiometry HeN4 that are energetically stable (relative to a mixture of solid He and N2) above 8.5 GPa. At high pressure, HeN4 comprises a polymeric channel-like nitrogen framework filled with linearly arranged helium atoms. The nitrogen framework persists to ambient pressure on decompression after removal of helium, forming pure polymeric nitrogen, t-N. t-N is dynamically and mechanically stable at ambient pressure with an estimated energy density of ~11.31 kJ/g, marking it out as a remarkable high-energy density material. This expands the known polymeric forms of nitrogen and indicates a route to its synthesis.
Saliva as a medium to detect and measure biomarkers related to pain
Authors: Jasim Hajer , Carlsson Anders , Hedenberg-Magnusson Britt , Ghafouri Bijar , Ernberg Malin
Published: February 2018

Saliva is often neglected as a body fluid of diagnostic or prognostic value, even though generally well accepted by the patients. This is due to lack of a standardized collection procedure. The aim of this study was to identify the ideal saliva collection technique and develop new sensitive methods to detect and analyse markers related to pain in healthy pain-free subjects. Plasma and five different saliva collection approached was evaluated during strictly controlled conditions. Levels of nerve growth factor (NGF), calcitonin gene-related peptide (CGRP) and brain derived neurotropic factor (BDNF) were determined using novel western blotting based technology. Glutamate and substance P (SP) was determined using commercial available methods. Several new isoforms were found for NGF, CGRP and BDNF in saliva. The isoform pattern showed significant variation in both expression and chemiluminescence levels between different collection methods. New sensitive methods to study pain related markers in saliva were developed in this study. Furthermore, we are first to demonstrate a correlation between the Glutamate concentration in stimulated whole saliva and blood. However, the fundamental conclusion drawn is the importance of consistency in the collection method.
Serum Metabolomics of Activity Energy Expenditure and its Relation to Metabolic Syndrome and Obesity
Authors: Palmnäs Marie S. A. , Kopciuk Karen A. , Shaykhutdinov Rustem A. , Robson Paula J. , Mignault Diane , Rabasa-Lhoret Rémi , Vogel Hans J. , Csizmadi Ilona
Published: February 2018

Modifiable lifestyle factors, including exercise and activity energy expenditure (AEE), may attenuate the unfavorable health effects of obesity, such as risk factors of metabolic syndrome (MetS). However, the underlying mechanisms are not clear. In this study we sought to investigate whether the metabolite profiles of MetS and adiposity assessed by body mass index (BMI) and central obesity are inversely correlated with AEE and physical activity. We studied 35 men and 47 women, aged 30–60 years, using doubly labeled water to derive AEE and the Sedentary Time and Activity Reporting Questionnaire (STAR-Q) to determine the time spent in moderate and vigorous physical activity. Proton nuclear magnetic resonance spectroscopy was used for serum metabolomics analysis. Serine and glycine were found in lower concentrations in participants with more MetS risk factors and greater adiposity. However, serine and glycine concentrations were higher with increasing activity measures. Metabolic pathway analysis and recent literature suggests that the lower serine and glycine concentrations in the overweight/obese state could be a consequence of serine entering de novo sphingolipid synthesis. Taken together, higher levels of AEE and physical activity may play a crucial part in improving metabolic health in men and women with and without MetS risk factors.
Crystal structure of the hydroxylaminopurine resistance protein, YiiM, and its putative molybdenum cofactor-binding catalytic site
Authors: Namgung Byeol , Kim Jee-Hyeon , Song Wan Seok , Yoon Sung-il
Published: February 2018

The molybdenum cofactor (Moco) is a molybdenum-conjugated prosthetic group that is ubiquitously found in plants, animals, and bacteria. Moco is required for the nitrogen-reducing reaction of the Moco sulfurase C-terminal domain (MOSC) family. Despite the biological significance of MOSC proteins in the conversion of prodrugs and resistance against mutagens, their structural features and Moco-mediated catalysis mechanism have not been described in detail. YiiM is a MOSC protein that is involved in reducing mutagenic 6-N-hydroxylaminopurine to nontoxic adenine in bacteria. Here, we report two crystal structures of YiiM: one from Gram-positive Geobacillus stearothermophilus (gsYiiM) and the other from Gram-negative Escherichia coli (ecYiiM). Although gsYiiM and ecYiiM differ in oligomerization state and protein stability, both consist of three structural modules (a β-barrel and two α-helix bundles) and feature a cavity surrounded by the three modules. The cavity is characterized by positive electrostatic potentials and high sequence conservation. Moreover, the ecYiiM cavity houses a phosphate group, which emulates a part of Moco, and contains a highly reactive invariant cysteine residue. We thus propose that the cavity is the catalytic site where Moco binds and the substrate is reduced. Moreover, our comparative structural analysis highlights the common but distinct structural features of MOSC proteins.
The value of hip circumference/heightx ratio for identifying childhood hypertension
Authors: Lu Na , Wang Rui , Ji Meijing , Liu Xiaoli , Qiang Lu , Ma Chunming , Yin Fuzai
Published: February 2018

To investigate the value of hip circumference related indexes for identifying childhood hypertension. In 2011, 1,352 Han children aged 7–12 years were recruited in our study. Hypertension was defined as systolic blood pressure or diastolic blood pressure ≥95th percentile for all three screenings. We set the power value of the hip circumference/heightx ratio (x = 0, 0.8, 1 and 1.5) and studied the association with blood pressure. Hip circumference, hip circumference/height0.8, hip circumference/height and hip circumference/height1.5 all showed a positive correlation with systolic blood pressure and diastolic blood pressure(P < 0.05). Area under the curve (AUC) was used to evaluate the abilities of hip circumference related indexes. Hip circumference/height0.8, hip circumference/height and hip circumference/height1.5 were not superior to hip circumference. The present study demonstrates that hip circumference measurement is a helpful tool to detect the presence of hypertension in Han children 7–12 years old.
Identification of a locus conferring dominant resistance to maize rough dwarf disease in maize
Authors: Li Ronggai , Song Wei , Wang Baoqiang , Wang Jianghao , Zhang Dongmin , Zhang Quanguo , Li Xinghua , Wei Jianfen , Gao Zengyu
Published: February 2018

Maize rough dwarf disease (MRDD) is a severe viral disease of maize that occurs worldwide, particularly in the summer maize-growing areas in China, resulting in yield losses and quality deterioration in susceptible maize varieties. An effective solution to control MRDD is to use resistance genes to improve the behavior of susceptible genotypes. Here, we employed maize F2 populations derived from a cross between susceptible line S221 and resistant line K36 for the deep sequencing of the two DNA pools containing extremely resistant and susceptible F2 individuals, and used traditional linkage analysis to locate the resistance-related genomic region. The results showed that MRDD resistance in K36 was controlled by a single dominant locus, and an associated region was identified within the genomic interval of 68,396,487 bp and 69,523,478 bp on chromosome 6. Two simple sequence repeat (SSR) markers 6F29R29 and 6F34R34 were tightly linked to the MRDD resistance locus. The findings of the present study improve our understanding of the inheritance patterns of MRDD resistance, and should inform MRDD-resistant maize breeding programs.
Poly(butylene succinate)/bamboo powder blends as solid-phase carbon source and biofilm carrier for denitrifying biofilters treating wastewater from recirculating aquaculture system
Authors: Liu Dezhao , Li Jiawei , Li Changwei , Deng Yale , Zhang Zeqing , Ye Zhangying , Zhu Songming
Published: February 2018

In this study, Poly(butylene succinate)/bamboo powder (PBS/BP) was newly applied and tested for 8 months as the carbon source in two moving bed reactors for nitrate removal in real RAS wastewater (fresh/sea water), with the purposes of simultaneous reducing the cost of PBS packing and effluent DOC. Fast start-ups were obtained in both reactors, in which high denitrification rates were observed (0.68 ± 0.03 and 0.83 ± 0.11 kg $${{\bf{NO}}}_{{\bf{3}}}^{-}$$

NO

3

−

-N m−3 d−1 for fresh and sea water, respectively) with no nitrite and low ammonia accumulation. Reduced DOC concentrations in the effluents were also observed compared to pure PBS. The freezing of PBS/BP showed a further slower release of DOC, which might be beneficial to the life of the PBS/BP for the denitrification process, however, microbial activity, especially in high salinity wastewater, was observed to have declined. Illumina sequencing revealed that the autotrophic genus arcobacter was discovered first time in solid-phase denitrification system with salinity. Redundancy analysis (RDA) was used to reveal the relationships between environmental factors and the microbial community. In overall, PBS/BP blends were proven to be an economically attractive carbon source for nitrate removal in RAS.
Broadband terahertz absorber based on multi-band continuous plasmon resonances in geometrically gradient dielectric-loaded graphene plasmon structure
Authors: Yang Jiawen , Zhu Zhihong , Zhang Jianfa , Guo Chucai , Xu Wei , Liu Ken , Yuan Xiaodong , Qin Shiqiao
Published: February 2018

We propose a broadband terahertz absorber consisting of nonstructured graphene loaded with arrays of elliptic dielectric cylinders. The relative bandwidth for the absorption above 90% reaches about 65%. The working mechanism of broad bandwidth mainly comes from two aspects. One is that the nonstructured graphene loaded with elliptic dielectric cylinders provides multiple discrete graphene plasmon resonances with large relative frequency interval. The other is that, for each discrete resonance, there exists a set of continuous plasmon resonances because the width of the dielectric structure varies continuously and gradiently. The broadband terahertz absorber we demonstrate here, based on geometrically gradient dielectric structures and nonstructured graphene, avoids the graphene processing, which shows great potential applications in related devices.
Experimental study of the anti-tumour activity and pharmacokinetics of arctigenin and its valine ester derivative
Authors: Cai Enbo , Song Xingzhuo , Han Mei , Yang Limin , Zhao Yan , Li Wei , Han Jiahong , Tu Shumei
Published: February 2018

Arctigenin (ARG) is a functional active component that has important physiological and pharmacological activities. The anti-tumour and anti-inflammatory activities of ARG show good potential for application and development, but this material has the defect of low water solubility. In this experiment, the valine derivative of ARG (ARG-V) was designed and synthesized to overcome this disadvantage. The ARG amino acid, EDCI and DMAP were raw materials in the addition reaction, with a molar ratio of 1:2:2:0.5. The yield of ARG-V was up to 80%. ARG-V has strong anti-tumour activity in vivo and in vitro. The inhibitory rate of ARG-V was 69.2%, with less damage to the immune organs and different degrees of increased serum cytotoxicity. Moreover, the pharmacokinetics of ARG following oral administration and ARG-V following oral administration in rats were also studied. The Cmax and AUC values of ARG-V showed significant differences compared to ARG. The relative bioavailabilities of three doses of ARG-V compared to ARG were 664.7%, 741.5% and 812.9%. These pharmacokinetic results may be useful for further studies of the bioactive mechanism of ARG and provide a theoretical basic for clinical use.
Device physics of van der Waals heterojunction solar cells
Authors: Furchi Marco M. , Höller Florian , Dobusch Lukas , Polyushkin Dmitry K. , Schuler Simone , Mueller Thomas
Published: February 2018

Heterostructures based on atomically thin semiconductors are considered a promising emerging technology for the realization of ultrathin and ultralight photovoltaic solar cells on flexible substrates. Much progress has been made in recent years on a technological level, but a clear picture of the physical processes that govern the photovoltaic response remains elusive. Here, we present a device model that is able to fully reproduce the current–voltage characteristics of type-II van der Waals heterojunctions under optical illumination, including some peculiar behaviors such as exceedingly high ideality factors or bias-dependent photocurrents. While we find the spatial charge transfer across the junction to be very efficient, we also find a considerable accumulation of photogenerated carriers in the active device region due to poor electrical transport properties, giving rise to significant carrier recombination losses. Our results are important to optimize future device architectures and increase power conversion efficiencies of atomically thin solar cells.
Compromise in uncertainty estimation by modelling and validation approaches for an HPLC-UV method for measurement of biochemical indicators of vitamins A and E
Authors: Djellouli O. , Rozet E. , Dahmani B. , Hubert Ph.
Published: February 2018

A demonstration to compare the modelling and validation approaches for measurement uncertainty estimation using results from accuracy profile methodology experiments of an HPLC method for determination of vitamers of vitamins A and E.
FTIR spectroscopy of chronic venous leg ulcer exudates: an approach to spectral healing marker identification
Authors: Cerusico Nicolas , Aybar Juan P. , Lopez Silvana , Molina Silvia G. , Chavez Jara Romina , Sesto Cabral Maria Eugenia , Valdez Juan C. , Ben Altabef Aida , Ramos Alberto N.
Published: February 2018

Chronic venous leg ulcer arises as a venous insufficiency complication and is a cause of great morbidity.
Investigation of ethosuximide stability under certain ICH-recommended stress conditions using a validated stability-indicating HPLC method
Authors: El-Shabrawy Y. , Walash M. , El-Enany N. , El-Shaheny R.
Published: February 2018

An HPLC investigation of the chemical stability of ethosuximide was conducted under certain ICH-recommended stress conditions.
Instant enumeration of total viable bacterial counts for food quality assurance using ‘DEP-On-Go’ sensor
Authors: Biyani Madhu , Biyani Radhika , Ushijima Hiromi , Saito Masato , Takamura Yuzuru , Tamiya Eiichi , Biyani Manish
Published: February 2018

'DEP-On-Go' sensor (DEPSOR) provides rapid, reliable (below acceptable limit) and affordable (<5 USD) monitoring of microbial loads in liquid and solid food samples.
Exploiting coordination geometry to selectively predict the σ-donor and π-acceptor abilities of ligands: a back-and-forth journey between electronic properties and spectroscopy
Authors: Fusè Marco , Rimoldi Isabella , Facchetti Giorgio , Rampino Sergio , Barone Vincenzo
Published: February 2018

Coordination geometry switches the carbonyl stretching frequency into a selective probe of the σ-donor and π-acceptor abilities of ligands.
Nitrogen atom transfer mediated by a new PN3P-pincer nickel core via a putative nitrido nickel intermediate
Authors: Yao Changguang , Wang Xiufang , Huang Kuo-Wei
Published: February 2018

A synthetic cycle for a complete nitrogen atom transfer reaction is achieved by irradiating the (PN3P)Ni(N3)/RNC mixture and subsequent treatment of the resultant products with alkyl halides.
Highly photoluminescent two-dimensional imine-based covalent organic frameworks for chemical sensing
Authors: Gao Qiang , Li Xing , Ning Guo-Hong , Leng Kai , Tian Bingbing , Liu Cuibo , Tang Wei , Xu Hai-Sen , Loh Kian Ping
Published: February 2018

Highly photoluminescent imine-based 2D-COFs with high photoluminescence quantum yields (up to 21.1%) were achieved by integrating a non-planar building unit with a pyrene-based unit and transforming the COF into spherical, sub-micron particles.
Dissimilar behavior of YAG:Ce and LuAG:Ce scintillator garnets regarding Li+ co-doping
Authors: Derdzyan M. V. , Hovhannesyan K. L. , Yeganyan A. V. , Sargsyan R. V. , Novikov A. , Petrosyan A. G. , Dujardin C.
Published: February 2018

Using a combination of experimental methods, the substitution tendencies of Li+ and involved charge compensation mechanisms are determined and compared in two important similar scintillators, LuAG:Ce and YAG:Ce.
A computational study of high pressure polymorphic transformations in monazite-type LaPO4
Authors: Ghosh P. S. , Ali K. , Arya A.
Published: February 2018

Polymorphic transformations in LaPO4 are investigated as a function of pressure using density functional theory (DFT) based calculations under the generalized gradient approximation.
L-edge sum rule analysis on 3d transition metal sites: from d10to d0and towards application to extremely dilute metallo-enzymes
Authors: Wang Hongxin , Friedrich Stephan , Li Lei , Mao Ziliang , Ge Pinghua , Balasubramanian Mahalingam , Patil Daulat S.
Published: February 2018

According to L-edge sum rules, the number of 3d vacancies at a transition metal site is directly proportional to the integrated intensity of the L-edge X-ray absorption spectrum (XAS) for the corresponding metal complex.
Hydrogen bonding and dominant conformations of hydrated sugar analogue complexes using tetrahydrofurfuryl alcohol as the model sugar molecule
Authors: Jin Shan , Hu Yongjun , Wang Pengchao , Zhan Huaqi , Lu Qiao , Liu Fuyi , Sheng Liusi
Published: February 2018

Water molecules, which serve as both hydrogen bond donors and acceptors, have been found to influence the conformational landscape of gas-phase phenyl-β-d-glucopyranoside.
Ternary CBe4Au4 cluster: a 16-electron system with quasi-planar tetracoordinate carbon
Authors: Guo Jin-Chang , Feng Lin-Yan , Zhai Hua-Jin
Published: February 2018

A ternary CBe4Au4 cluster contains quasi-planar tetracoordinate carbon (quasi-ptC). It adds the new 16-electron counting to ptC complexes, featuring 2π and 6σ double aromaticity.
Half-metallic and magnetic semiconducting behaviors of metal-doped blue phosphorus nanoribbons from first-principles calculations
Authors: Zhu Si-Cong , Yip Cho-Tung , Peng Shun-Jin , Wu Kai-Ming , Yao Kai-Lun , Mak Chee-Leung , Lam Chi-Hang
Published: February 2018

We investigate the electronic and magnetic properties of substitutional metal atom impurities in two-dimensional (2D) blue phosphorene nanoribbons using first-principles calculations.
Ultra-high aspect ratio hybrid materials: the role of organic guest and synthesis method
Authors: Manohara G. V. , Li Li , Whiting Andrew , Greenwell H. Chris
Published: February 2018

Hybrid layered double hydroxide materials with high aspect ratio have been prepared by slow hydrolysis of metal hydroxides with hydrophobic anions.
Quantification of the loss mechanisms in emerging water splitting photoanodes through empirical extraction of the spatial charge collection efficiency
Authors: Segev Gideon , Jiang Chang-Ming , Cooper Jason K. , Eichhorn Johanna , Toma Francesca M. , Sharp Ian D.
Published: February 2018

Extraction of the spatial collection efficiency allowsoperandoquantification of loss and charge transport mechanisms in new semiconductor materials.
Development and application of a digestion-Raman analysis approach for studying multiwall carbon nanotube uptake in lettuce
Authors: Das Kamol K. , You Yaqi , Torres Miguel , Barrios-Masias Felipe , Wang Xilong , Tao Shu , Xing Baoshan , Yang Yu
Published: February 2018

Optimized plant digestion using nitric acid in conjunction with Raman analysis is an effective approach for detecting and analyzing multiwall carbon nanotubes in lettuce plants.
Novel valdecoxib derivatives by ruthenium(ii)-promoted 1,3-dipolar cycloaddition of nitrile oxides with alkynes – synthesis and COX-2 inhibition activity
Authors: Roscales Silvia , Bechmann Nicole , Weiss Daniel Holger , Köckerling Martin , Pietzsch Jens , Kniess Torsten
Published: February 2018

By Ru(ii)-promoted 1,3-dipolar cycloaddition of nitrile oxides with alkynes 3,4-diaryl-substituted isoxazoles are formed in one step, showing high inhibition potency for COX-2.
Gold(i) phosphine compounds as parasite attenuating agents for malaria vaccine and drug development
Authors: Ssemaganda Aloysious , Low Leanne M. , Verhoeft Krista R. , Wambuzi Mathias , Kawoozo Barbarah , Nabasumba Sharon B. , Mpendo Juliet , Bagaya Bernard S. , Kiwanuka Noah , Stanisic Danielle I. , Berners-Price Susan J. , Good Michael F.
Published: February 2018

The asexual blood-stagePlasmodiumparasite attenuating properties of gold(i) phosphine compounds are exploited in a novel strategy for malaria vaccine development.
Oxidation of p-toluic acid to terephthalic acid via a bromine-free process using nano manganese and manganese–copper mixed oxides
Authors: Betiha Mohamed A. , Kandile Nadia G. , Badawi Abdelfattah M. , Solyman Sanaa M. , Afify Ahmed S.
Published: February 2018

Challenges and technological opportunities for nano-mixed oxide (Cu–Mn) allowing a green route to valued terephthalic acid production from p-xylene.
Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour
Authors: Pan Yangdan , Zhang Haifeng , Qin Yaru , Ge Yu , Cui Yanfeng , Li Yahong , Liu Wei , Dong Yaping
Published: February 2018

Eight dinuclear complexes are prepared and characterized; complex 6 exhibits SMM behavior with a Ueff value of 14.83 K.
Carbon sheathed molybdenum nitride nanoparticles anchored on reduced graphene oxide as high-capacity sodium-ion battery anodes and supercapacitors
Authors: Vadahanambi Sridhar , Park Hyun
Published: February 2018

In this study, we report a facile microwave procedure for the synthesis of carbon encapsulated molybdenum nitride nanoparticles anchored on reduced graphene oxide as high-capacity sodium-ion battery anodes.
Sensitive determination of psychotropic drugs in urine samples using continuous liquid-phase microextraction with an extraction solvent lighter than water
Authors: Haghnazari Lida , Nomani Hamid , Fattahi Nazir , Sharafi Kiomars , Moradi Masoud
Published: February 2018

A novel extraction vessel was employed, for the first time, in continuous liquid-phase microextraction (CLPME) with an extraction solvent lighter than water for the extraction of psychotropic drugs from urine samples.
A series of Ln2 complexes based on an 8-hydroxyquinoline derivative: slow magnetization relaxation and photo-luminescence properties
Authors: Chu Xiao-Ya , Zhang Hong-Xia , Chang Yi-Xin , Nie Yao-Yao , Cui Jian-Zhong , Gao Hong-Ling
Published: February 2018

A series of Ln2 complexes display slow magnetization relaxation and photo-luminescence properties.
Quantum chemical and electrochemical studies of lysine modified carbon paste electrode surfaces for sensing dopamine
Authors: Kudur Jayaprakash Gururaj , Kumara Swamy B. E. , Nicole González Ramírez Henry , Tumbre Ekanthappa Musturappa , Flores-Moreno Roberto
Published: February 2018

We have improved the sensitivity of a carbon paste electrode from lysine for the sensitive detection of dopamine.
Fabrication of In2S3/NaTaO3 composites for enhancing the photocatalytic activity toward the degradation of tetracycline
Authors: Xu Jie , Luo Bifu , Gu Wei , Jian Yaping , Wu Feilong , Tang Yubin , Shen Hao
Published: February 2018

An In2S3/NaTaO3 type I heterojunction photocatalyst with enhanced photocatalytic activity for the degradation of tetracycline hydrochloride was prepared.
Renewable bio-phenols fromin situandex situcatalytic pyrolysis ofDouglas firpellet over biobased activated carbons
Authors: Yang Zixu , Lei Hanwu , Qian Kezhen , Zhang Yayun , Villota Elmar
Published: February 2018

Activated carbon catalyst prepared by phosphoric acid activation of biomass significantly promoted the production of phenolics free of methoxy substitutes.
Preparation of graphene hollow spheres from vacuum residue of ultra-heavy oil as an effective oxygen electrode for Li–O2batteries
Authors: Lim K. H. , Kim S. , Kweon H. , Moon S. , Lee C.-H. , Kim H.
Published: February 2018

Low-valued vacuum residue was converted into 3D hollow graphene spheres as a promising energy storage material for Li–O2batteries.
Interfacially active polydopamine for nanoparticle stabilized nanocapsules in a one-pot assembly strategy toward efficient drug delivery
Authors: Ding Tao , Wang Liucan , Zhang Jixi , Xing Yuxin , Cai Kaiyong
Published: February 2018

Polydopamine (PDA) nanoparticle stabilized nanocapsules possess great potential for drug deliveryviathe non-endocytotic pathway.
Time-lapse live cell imaging to monitor doxorubicin release from DNA origami nanostructures
Authors: Zeng Yun , Liu Jiajun , Yang Shuo , Liu Wenyan , Xu Liang , Wang Risheng
Published: February 2018

DNA origami nanostructures can serve as a promising carrier for drug delivery due to the outstanding programmability and biocompatibility.
Au nanoparticles on two-dimensional MoS2 nanosheets as a photoanode for efficient photoelectrochemical miRNA detection
Authors: Fu Nina , Hu Yue , Shi Saihua , Ren Shaokang , Liu Wei , Su Shao , Zhao Baomin , Weng Lixing , Wang Lianhui
Published: February 2018

A signal-off photoelectrochemical (PEC) biosensor based on MoS2-AuNPs heterojunction for selective and specific miRNA detection has been presented.
Adsorptive stripping voltammetric determination of dicyclomine hydrochloride at a glassy carbon electrode modified with silver decorated Fe3O4nanocubes in pharmaceutical and biological samples
Authors: Rawool Chaitali R. , Rajpurohit Anuja S. , Punde Ninad S. , Srivastava Ashwini K.
Published: February 2018

Synthesis process of Fe3O4/Ag nanocomposite followed by its fabrication as an electrochemical sensor for determination of DcCl using adsorptive stripping square wave voltammetry.
Tracking mitochondrial pH fluctuation during cell apoptosis with two-photon phosphorescent iridium(iii) complexes
Authors: Qiu Kangqiang , Ke Libing , Zhang Xuepeng , Liu Yukang , Rees Thomas W. , Ji Liangnian , Diao Jiajie , Chao Hui
Published: February 2018

Two-photon phosphorescent Ir(iii) complexes containing two morpholine moieties were developed for monitoring the mitochondrial pH fluctuation during apoptosis.
A Cu–Zn nanoparticle promoter for selective carbon dioxide reduction and its application in visible-light-active Z-scheme systems using water as an electron donor
Authors: Yin Ge , Sako Hiroshi , Gubbala Ramesh V. , Ueda Shigenori , Yamaguchi Akira , Abe Hideki , Miyauchi Masahiro
Published: February 2018

Selected HCOOH generation was promoted by Cu–Zn nanoparticles as a co-catalyst in a Z-scheme visible light harvester system.
Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines
Authors: Song Xiaoxian , Yu Hanbo , Zhang Yuewei , Miao Yang , Ye Kaiqi , Wang Yue
Published: February 2018

A class of dithienophenazine derivatives, 9,10-difluoro-2,5-dialkyldithieno[3,2-a:2′,3′-c]phenazine (F-n, n = 4, 5, 6, 7 and 8), modified with various lengths of linear alkyl chains were synthesized and used as building blocks to assemble luminescent one-dimensional (1D) nano/microcrystals.
Tuning the electronic and magnetic properties of InSe nanosheets by transition metal doping
Authors: Wang Tao , Li Jianwei , Jin Hao , Wei Yadong
Published: February 2018

A Cr-doped InSe monolayer that exhibits half metallic transport characteristics can be applied for spintronic devices.
Theory, experiment, and simulations in laboratory astrochemistry
Authors: Wiesenfeld Laurent , Oomens Jos , Cheung Allan S. C.
Published: February 2018

This Special Issue of PCCP acknowledges the synergies between laboratory and observational molecular astrophysics. It forms a collection of experimental as well as theoretical physical-chemistry investigations with the understanding of astrochemical processes as common background.
Multi-heteroatom doped carbon coated Na3V2(PO4)3 derived from ionic liquids
Authors: Zhang Lu-Lu , Zhou Ying-Xian , Li Tao , Ma Di , Yang Xue-Lin
Published: February 2018

Multi-heteroatom doped carbon coated Na3V2(PO4)3 derived from an ionic liquid exhibits superior rate performance and cycling stability.
Water-soluble platinum nanoparticles stabilized by sulfonated N-heterocyclic carbenes: influence of the synthetic approach
Authors: Baquero Edwin A. , Tricard Simon , Coppel Yannick , Flores Juan C. , Chaudret Bruno , de Jesús Ernesto
Published: February 2018

On the surface: Pt nanoparticles with NHC ligands at the surface have been prepared in water using different organometallic approaches.
The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects
Authors: Chutia Arunabhiram , Willock David J. , Catlow C. Richard A.
Published: February 2018

We use density functional theory with Hubbard corrections (DFT+U) to understand the local electronic properties of Au adatom and Au2 dimer adsorption on the CeO2 (110) surface with and without O-defects.
In situ classification of rocks using stand-off laser-induced breakdown spectroscopy with a compact spectrometer
Authors: Li W. T. , Zhu Y. N. , Li X. , Hao Z. Q. , Guo L. B. , Li X. Y. , Zeng X. Y. , Lu Y. F.
Published: February 2018

The ASPI-LDA algorithm combined with a compact spectrometer to achieve high accuracy classification, which has a great potential for field in situ remote detection.
Influence of water on the structure and magnetic properties of a copper bromide coordination compound with 3-amino-4-ethoxycarbonylpyrazole
Authors: Berezin A. S. , Ivanova A. D. , Komarov V. Yu. , Nadolinny V. A. , Lavrenova L. G.
Published: February 2018

The influence of water on a polynuclear [CuL2Br2]n (1) copper bromide compound with 3-amino-4-ethoxycarbonylpyrazole (L) is investigated.
In vitroinhibition ofHelicobacter pyloriand interaction studies of lichen natural products with jack bean urease
Authors: Lage Tiago C. A. , Maciel Thamilla Maria S. , Mota Yane C. C. , Sisto Francesca , Sabino José R. , Santos Josué C. C. , Figueiredo Isis M. , Masia Carla , de Fátima Ângelo , Fernandes Sergio A. , Modolo Luzia V.
Published: February 2018

The interaction between lichen metabolites and jack bean urease was investigated by molecular spectroscopy at pH 7.4 and kinetics assay.
Effects of preorganization in the chelation of UO22+by hydroxamate ligands: cyclic PIPO−vs.linear NMA−
Authors: Sornosa-Ten Alejandra , Jewula Pawel , Fodor Tamas , Brandès Stéphane , Sladkov Vladimir , Rousselin Yoann , Stern Christine , Chambron Jean-Claude , Meyer Michel
Published: February 2018

Thanks to preorganization, 1,2-PIPOH, the six-membered ring cyclic hydroxamic acid, binds uranyl six times more strongly than its linear, methyl-substituted homolog (NMAH).
Synthesis of quinolinium-based probes and studies of their effects for selective G-quadruplex DNA targeting
Authors: Wang Ming-Qi , Liu Xiao-Ning , Guo Zhong-Jian , Feng Chunlai , Rui Mengjie
Published: February 2018

Two quinolinium conjugates as G-quadruplex probes were presented. The binding properties and mechanism were investigated using both experimental and docking studies.
Mild halogenation of polyolefins using an N-haloamide reagent
Authors: Plummer Christopher M. , Zhou Houbo , Zhu Wen , Huang Huahua , Liu Lixin , Chen Yongming
Published: February 2018

A new methodology for the chlorination of PE and PP without the use of chlorine gas.
Lattice self-consistent field calculations of ring polymer brushes
Authors: Qiu Wenjuan , Li Baohui , Wang Qiang
Published: February 2018

Ring brushes are slightly less stretched than, thus nearly but not completely identical to, the “equivalent” linear brushes having half the chain length and double the grafting density.