bluuebunny/crossref_metadata_2025 huggingface dataset:
Evidence of necroptosis in osteoarthritic disease: investigation of blunt mechanical impact as possible trigger in regulated necrosis
Authors: Riegger Jana , Brenner Rolf E.
Published: September 2019

Joint injuries are highly associated with cell death and development of posttraumatic osteoarthritis (PTOA). The present study focused on necroptosis as a possible modality of chondrocyte death after cartilage trauma and its relevance in OA disease in general. For this purpose, apoptosis- and necroptosis-associated markers were determined in highly degenerated (ICRS ≥ 3) as well as macroscopically intact cartilage tissue (ICRS ≤ 1) by means of real-time PCR and immunohistochemistry (IHC). Moreover, influence of blunt trauma and/or stimulation with cycloheximide (CHX), TNF-a, and caspase-inhibitor zVAD were investigated in cartilage explants (ICRS ≤ 1). Further characterization of necroptosis was performed in isolated chondrocytes. We found that gene expression levels of RIPK3 (4.2-fold, P < 0.0001) and MLKL (2.7-fold, P < 0.0001) were elevated in highly degenerated cartilage tissue, which was confirmed by IHC staining. After ex vivo trauma and/or CHX/TNF stimulation, addition of zVAD further enhanced expression of necroptosis-related markers as well as release of PGE2 and nitric oxide, which was in line with increased cell death and subsequent release of intracellular HMGB1 and dsDNA in CHX/TNF stimulated chondrocytes. However, trauma and/or chemically induced cell death and subsequent release of pro-inflammatory mediators could be largely attenuated by RIPK1-inhibitor necrostatin 1 or antioxidant N-acetylcysteine. Overall, the study provided clear evidence of necroptotic cell death in OA disease. Moreover, a possible link between cartilage injury and necroptotic processes was found, depending on oxidative stress and cytokine release. These results contribute to further understanding of cell death in PTOA and development of novel therapeutic approaches.
PICOT binding to chromatin-associated EED negatively regulates cyclin D2 expression by increasing H3K27me3 at the CCND2 gene promoter
Authors: Pandya Pinakin , Jethva Minesh , Rubin Eitan , Birnbaum Ramon Y. , Braiman Alex , Isakov Noah
Published: September 2019

Protein kinase C (PKC)-interacting cousin of thioredoxin (PICOT; also termed glutaredoxin 3 (Grx3; Glrx3)) is a ubiquitous protein that can interact with the embryonic ectoderm development (EED) protein via each of its two C-terminal PICOT/Grx homology domains. Since EED is a Polycomb-Group protein and a core component of the polycomb repressive complex 2 (PRC2), we tested the involvement of PICOT in the regulation of PRC2-mediated H3 lysine 27 trimethylation (H3K27me3), transcription and translation of selected PRC2 target genes. A fraction of the cellular PICOT protein was found in the nuclei of leukemia cell lines, where it was associated with the chromatin. In addition, PICOT coimmunoprecipitated with chromatin-residing EED derived from Jurkat and COS-7 cell nuclei. PICOT knockdown led to a reduced H3K27me3 mark and a decrease in EED and EZH2 at the CCND2 gene promoter. In agreement, PICOT-deficient T cells exhibited a significant increase in CCND2 mRNA and protein expression. Since elevated expression levels of PICOT were reported in several different tumors and correlated in the current studies with decreased transcription and translation of the CCND2 gene, we tested whether this opposite correlation exists in human cancers. Data from the Cancer Genome Atlas (TCGA) database indicated statistically significant negative correlation between PICOT and CCND2 in eight different human tumors where the highest correlation was in lung (p = 8.67E−10) and pancreatic (p = 1.06E−5) adenocarcinoma. Furthermore, high expression of PICOT and low expression of CCND2 correlated with poor patient survival in five different types of human tumors. The results suggest that PICOT binding to chromatin-associated EED modulates the H3K27me3 level at the CCND2 gene promoter which may be one of the potential mechanisms for regulation of cyclin D2 expression in tumors. These findings also indicate that a low PICOT/CCND2 expression ratio might serve as a good predictor of patient survival in selected human cancers.
TA*p63 and GTAp63 achieve tighter transcriptional regulation in quality control by converting an inhibitory element into an additional transactivation domain
Authors: Pitzius Susanne , Osterburg Christian , Gebel Jakob , Tascher Georg , Schäfer Birgit , Zhou Huiqing , Münch Christian , Dötsch Volker
Published: September 2019

The p53 homolog p63 plays important roles in development of epithelial tissues and quality control in germ cells. These two functions are executed by two distinct isoforms of p63. They are created by different promotors resulting in isoforms having either an N-terminal transactivation domain (TAp63) or a truncated form (ΔNp63). In addition to these two N-terminal isoforms a third one with an even longer N-terminus, named TA*p63, has been found. A fourth N-terminal isoform, GTAp63, that closely resembles TA*p63 was discovered in male germ cells where it is involved in genetic quality control. Here, we characterize TA*p63α and GTAp63α and show that their N-terminal extensions stabilize the closed and only dimeric conformation adopted by the shorter TAp63α protein. Both proteins can be activated by the two kinases Chk2 and CK1 resulting in the open tetrameric state. In this conformation, the N-terminal extension acts as an additional transactivation domain enhancing transcriptional activity. Through this mechanism, the difference in transcriptional activity between the repressed and the active state of the protein gets enhanced relative to TAp63α. Finally, we show by mass spectrometry that TA*p63α is expressed in the breast cancer cell line Sum159 at the protein level together with mutant p53. Upon doxorubicin treatment, TA*p63α gets activated, providing a potential new tool to fight cancer.
Estimating cumulative point prevalence of rare diseases: analysis of the Orphanet database
Authors: Nguengang Wakap Stéphanie , Lambert Deborah M. , Olry Annie , Rodwell Charlotte , Gueydan Charlotte , Lanneau Valérie , Murphy Daniel , Le Cam Yann , Rath Ana
Published: September 2019

Rare diseases, an emerging global public health priority, require an evidence-based estimate of the global point prevalence to inform public policy. We used the publicly available epidemiological data in the Orphanet database to calculate such a prevalence estimate. Overall, Orphanet contains information on 6172 unique rare diseases; 71.9% of which are genetic and 69.9% which are exclusively pediatric onset. Global point prevalence was calculated using rare disease prevalence data for predefined geographic regions from the ‘Orphanet Epidemiological file’ (http://www.orphadata.org/cgi-bin/epidemio.html). Of the 5304 diseases defined by point prevalence, 84.5% of those analysed have a point prevalence of <1/1 000 000. However 77.3–80.7% of the population burden of rare diseases is attributable to the 4.2% (n = 149) diseases in the most common prevalence range (1–5 per 10 000). Consequently national definitions of ‘Rare Diseases’ (ranging from prevalence of 5 to 80 per 100 000) represent a variable number of rare disease patients despite sharing the majority of rare disease in their scope. Our analysis yields a conservative, evidence-based estimate for the population prevalence of rare diseases of 3.5–5.9%, which equates to 263–446 million persons affected globally at any point in time. This figure is derived from data from 67.6% of the prevalent rare diseases; using the European definition of 5 per 10 000; and excluding rare cancers, infectious diseases, and poisonings. Future registry research and the implementation of rare disease codification in healthcare systems will further refine the estimates.
Adaptive signals of flowering time pathways in wild barley from Israel over 28 generations
Authors: Qian Chaoju , Yan Xia , Shi Yong , Yin Hengxia , Chang Yuxiao , Chen Jun , Ingvarsson Pär K. , Nevo Eviatar , Ma Xiao-Fei
Published: September 2019

Flowering time is one of the most critical traits for plants’ life cycles, which is influenced by various environment changes, such as global warming. Previous studies have suggested that to guarantee reproductive success, plants have shifted flowering times to adapt to global warming. Although many studies focused on the molecular mechanisms of early flowering, little was supported by the repeated sampling at different time points through the changing climate. To fully dissect the temporal and spatial evolutionary genetics of flowering time, we investigated nucleotide variation in ten flowering time candidate genes and nine reference genes for the same ten wild-barley populations sampled 28 years apart (1980–2008). The overall genetic differentiation was significantly greater in the descendant populations (2008) compared with the ancestral populations (1980); however, local adaptation tests failed to detect any single-nucleotide polymorphism (SNP)/indel under spatial-diversifying selection at either time point. By contrast, the WFABC (Wright–Fisher ABC-based approach) that detected 54 SNPs/indels was under strong selection during the past 28 generations. Moreover, all these 54 alleles were segregated in the ancestral populations, but fixed in the descendent populations. Among the top ten SNPs/indels, seven were located in genes ofFT1(FLOWERING TIME LOCUS T 1),CO1(CONSTANS-LIKE PROTEIN 1), andVRN-H2(VERNALIZATION-H2), which have been documented to be associated with flowering time regulation in barley cultivars. This study might suggest that all ten populations have undergone parallel evolution over the past few decades in response to global warming, and even an overwhelming local adaptation and ecological differentiation.
Characterization of suprathermal electrons inside a laser accelerated plasma via highly-resolved K⍺-emission
Authors: Šmíd M. , Renner O. , Colaitis A. , Tikhonchuk V. T. , Schlegel T. , Rosmej F. B.
Published: September 2019

Suprathermal electrons are routinely generated in high-intensity laser produced plasmas via instabilities driven by non-linear laser-plasma interaction. Their accurate characterization is crucial for the performance of inertial confinement fusion as well as for performing experiments in laboratory astrophysics and in general high-energy-density physics. Here, we present studies of non-thermal atomic states excited by suprathermal electrons in kJ-ns-laser produced plasmas. Highly spatially and spectrally resolved X-ray emission from the laser-deflected part of the warm dense Cu foil visualized the hot electrons. A multi-scale two-dimensional hydrodynamic simulation including non-linear laser-plasma interactions and hot electron propagation has provided an input for ab initio non-thermal atomic simulations. The analysis revealed a significant delay between the maximum of laser pulse and presence of suprathermal electrons. Agreement between spectroscopic signatures and simulations demonstrates that combination of advanced high-resolution X-ray spectroscopy and non-thermal atomic physics offers a promising method to characterize suprathermal electrons inside the solid density matter.
A molecular movie of ultrafast singlet fission
Authors: Schnedermann Christoph , Alvertis Antonios M. , Wende Torsten , Lukman Steven , Feng Jiaqi , Schröder Florian A. Y. N. , Turban David H. P. , Wu Jishan , Hine Nicholas D. M. , Greenham Neil C. , Chin Alex W. , Rao Akshay , Kukura Philipp , Musser Andrew J.
Published: September 2019

The complex dynamics of ultrafast photoinduced reactions are governed by their evolution along vibronically coupled potential energy surfaces. It is now often possible to identify such processes, but a detailed depiction of the crucial nuclear degrees of freedom involved typically remains elusive. Here, combining excited-state time-domain Raman spectroscopy and tree-tensor network state simulations, we construct the full 108-atom molecular movie of ultrafast singlet fission in a pentacene dimer, explicitly treating 252 vibrational modes on 5 electronic states. We assign the tuning and coupling modes, quantifying their relative intensities and contributions, and demonstrate how these modes coherently synchronise to drive the reaction. Our combined experimental and theoretical approach reveals the atomic-scale singlet fission mechanism and can be generalized to other ultrafast photoinduced reactions in complex systems. This will enable mechanistic insight on a detailed structural level, with the ultimate aim to rationally design molecules to maximise the efficiency of photoinduced reactions.
Highly selective detection of methanol over ethanol by a handheld gas sensor
Authors: van den Broek J. , Abegg S. , Pratsinis S. E. , Güntner A. T.
Published: September 2019

Methanol poisoning causes blindness, organ failure or even death when recognized too late. Currently, there is no methanol detector for quick diagnosis by breath analysis or for screening of laced beverages. Typically, chemical sensors cannot distinguish methanol from the much higher ethanol background. Here, we present an inexpensive and handheld sensor for highly selective methanol detection. It consists of a separation column (Tenax) separating methanol from interferants like ethanol, acetone or hydrogen, as in gas chromatography, and a chemoresistive gas sensor (Pd-doped SnO2 nanoparticles) to quantify the methanol concentration. This way, methanol is measured within 2 min from 1 to 1000 ppm without interference of much higher ethanol levels (up to 62,000 ppm). As a proof-of-concept, we reliably measure methanol concentrations in spiked breath samples and liquor. This could enable the realization of highly selective sensors in emerging applications such as breath analysis or air quality monitoring.
Montmorillonite immobilized Fe/Ni bimetallic prepared by dry in-situ hydrogen reduction for the degradation of 4-Chlorophenlo
Authors: Zhang Shuo-Shuo , Yang Ning , Zhuang Xuming , Ren Liying , Natarajan Vinothkumar , Cui Zhaojie , Si Hongyu , Xin Xiaohan , Ni Shou-Qing , Zhan Jinhua
Published: September 2019

This study puts forward a new way to produce montmorillonite immobilized bimetallic nickel-iron nanoparticles by dry in-situ hydrogen reduction method in the non-liquid environment, which effectively inhibits the oxidation of iron and nickel during the synthesis process and improves the reactivity of the material. The degradation of 4-Chlorophenol (4-CP) was investigated to examine the catalytic activity of the material. The morphology and crystal properties of the montmorillonite-templated Fe/Ni bimetallic particles were explored by using scanning electron microscopy, transmission electron microscopy, X-ray diffraction studies, and energy dispersive X-ray spectroscopy analysis. Results suggest that Fe and Ni particles were homogeneously dispersed on the montmorillonite. The optimization of Ni content and reduction temperature over the degradation of 4-CP was also studied. The introduction of Ni intensely improved the degradation of 4-CP and reached over 90% when Ni content was 28.5%. The degradation rate increased significantly with the increase of reduction temperature and showed maximum activity at the reduction tempreature of 800 °C. This study offers a new method to fabricate montmorillonite immobilized Fe/Ni bimetallic nanoparticles in the non-liquid environment and the composites exhibited high degradation activity to chlorinated organic compounds.
Open-label placebos reduce test anxiety and improve self-management skills: A randomized-controlled trial
Authors: Schaefer Michael , Denke Claudia , Harke Rebecca , Olk Nina , Erkovan Merve , Enge Sören
Published: September 2019

Test anxiety is a condition in which people experience extreme distress and anxiety before and in test situations. It affects up to 40 percent of all students. Conventional treatment includes both medication and psychotherapy, but studies also demonstrated that placebos affect anxiety symptoms. Although in the traditional understanding placebos need to be administered in a concealed way, intriguing new studies report that open-label placebos can be effective. Since prescription of fake pills involves ethical problems, open-label placebos may provide important new treatment possibilities. Here we report results of a pilot study examining whether open-label placebos may reduce test anxiety and improve self-management skills. 58 students participated in a two-group randomized controlled trial. Two weeks before an exam at the university participants received open-label placebos or no pills (control group). Participant – provider relationship and amount of contact time was held similar for all groups. After two weeks we found that test anxiety and self-management abilities (skills and resources) of the open-label placebo group were more improved than in the control group. Thus, our results seems to indicate that open-label placebos may reduce test anxiety and enhance self-management skills in students.
A FAM83A Positive Feed-back Loop Drives Survival and Tumorigenicity of Pancreatic Ductal Adenocarcinomas
Authors: Parameswaran Neetha , Bartel Courtney A. , Hernandez-Sanchez Wilnelly , Miskimen Kristy L. , Smigiel Jacob M. , Khalil Ahmad M. , Jackson Mark W.
Published: September 2019

Pancreatic ductal adenocarcinomas (PDAC) are deadly on account of the delay in diagnosis and dearth of effective treatment options for advanced disease. The insurmountable hurdle of targeting oncogene KRAS, the most prevalent genetic mutation in PDAC, has delayed the availability of targeted therapy for PDAC patients. An alternate approach is to target other tumour-exclusive effector proteins important in RAS signalling. The Family with Sequence Similarity 83 (FAM83) proteins are oncogenic, tumour-exclusive and function similarly to RAS, by driving the activation of PI3K and MAPK signalling. In this study we show that FAM83A expression is significantly elevated in human and murine pancreatic cancers and is essential for the growth and tumorigenesis of pancreatic cancer cells. Elevated FAM83A expression maintains essential MEK/ERK survival signalling, preventing cell death in pancreatic cancer cells. Moreover, we identified a positive feed-forward loop mediated by the MEK/ERK-activated AP-1 transcription factors, JUNB and FOSB, which is responsible for the elevated expression of oncogenic FAM83A. Our data indicates that targeting the MEK/ERK-FAM83A feed-forward loop opens up additional avenues for clinical therapy that bypass targeting of oncogenic KRAS in aggressive pancreatic cancers.
Evaluation and Validation of Reference Genes for Quantitative Real-Time PCR in Helopeltis theivora Waterhouse (Hemiptera: Miridae)
Authors: Wang Zheng , Meng Qianqian , Zhu Xi , Sun Shiwei , Gao Shengfeng , Gou Yafeng , Liu Aiqin
Published: September 2019

Helopeltis theivora Waterhouse is a predominant sucking pest in many tropic economic crops, such as tea, cocoa and coffee. Quantitative real-time PCR (qRT-PCR) is one of the most powerful tools to analyze the gene expression level and investigate the mechanism of insect physiology at transcriptional level. Gene expression studies utilizing qRT-PCR have been applied to numerous insects so far. However, no universal reference genes could be used for H. theivora. To obtain accurate and reliable normalized data in H. theivora, twelve candidate reference genes were examined under different tissues, developmental stages and sexes by using geNorm, NormFinder, BestKeeper, Delta Ct and RefFinder algorithms, respectively. The results revealed that the ideal reference genes differed across the treatments, and the consensus rankings generated from stability values provided by these programs suggested a combination of two genes for normalization. To be specific, RPS3A and Actin were the best suitable reference genes for tissues, RPL13A and GAPDH were suitable for developmental stages, EF1α and RPL13A were suitable for sexes, and RPL13A and RPS3A were suitable for all samples. This study represents the first systematic analysis of reference genes for qRT-PCR experiments in H. theivora, and the results can provide a credible normalization for qRT-PCR data, facilitating transcript profiling studies of functional genes in this insect.
Arithmetic Skill May Refine the Performance of Individuals with High Math Anxiety, Especially in the Calculation Task: An ERP Study
Authors: Huang Bijuan , Zhao Xiaomeng , Li Hongxia , Yang Weixing , Cui Shuang , Gao Yaru , Si Jiwei
Published: September 2019

As a global phenomenon, the theme of math anxiety has received increasing attention. The present study aimed to investigate the relationship between math anxiety and performance and determine the role of arithmetic skill in two different tasks. Fifty-seven college freshmen were recruited to perform a comparison task and a calculation task. Only main effect of arithmetic skill was found on the behavioral level. In the comparison task, participants with high math anxiety (HMA) showed faster latencies and greater amplitudes of N1 and longer P3b latency relative to their counterparts with low math anxiety (LMA). Number, as a negative stimulus, occupied attentional resources and delayed the speed of cognitive processing for individuals with HMA. Furthermore, among those with HMA, individuals with high arithmetic skill showed larger amplitudes and shorter latencies of P2 compared with those with low airthmetic skill in the calculation task. Thus, arithmetic skill could refine the performance efficiency of individuals with HMA, especially in the calculation task. These results suggest that educational interventions emphasizing control of negative emotional responses to math stimuli will be more effective when considering different populations of mathematically competent individuals.
The specific absorption rate in different brain regions of rats exposed to electromagnetic plane waves
Authors: Wang Hao-Yu , Li Chun-Fang , Yu Chao , Dong Ji , Zou Yong , Nie Bin-Bin , Li Jia-Kai , Ma Lin , Peng Rui-Yun
Published: September 2019

Accurate dosimetry of a specific brain region in rats exposed to an electromagnetic field (EMF) is essential for studies focusing on dose-effect relationship of the region. However, only dosimetry of whole brain or whole body were evaluated in most of previous studies. In this study, a numerical voxel rat model with 10 segmented brain regions was constructed. Then, the effects of frequency, incidence direction, and E-polarization direction of plane wave EMF on brain region averaged specific absorption rate (BRSAR) of rats were investigated. At last, the reliability of using whole-body averaged SAR (WBDSAR) and whole-brain averaged SAR (WBRSAR) as estimations of BRSAR were also evaluated. Our results demonstrated that the BRSAR depended on the frequency, incidence direction, and E-polarization direction of the EMF. Besides, the largest deviation could be up to 13.1 dB between BRSAR and WBDSAR and 9.59 dB between BRSAR and WBRSAR. The results suggested that to establish an accurate dose-effect relationship, the variance of the BRSAR induced by alteration of frequency, incidence direction, and E-polarization direction of EMF should be avoided or carefully evaluated. Furthermore, the use of WBDSAR and WBRSAR as estimations of BRSAR should be restricted to certain conditions such that the deviations are not too large.
Implicit and explicit systems differently predict possible dangers
Authors: Manassero Eugenio , Mana Ludovica , Concina Giulia , Renna Annamaria , Sacchetti Benedetto
Published: September 2019

One strategy to address new potential dangers is to generate defensive responses to stimuli that remind learned threats, a phenomenon called fear generalization. During a threatening experience, the brain encodes implicit and explicit memory traces. Nevertheless, there is a lack of studies comparing implicit and explicit response patterns to novel stimuli. Here, by adopting a discriminative threat conditioning paradigm and a two-alternative forced-choice recognition task, we found that the implicit reactions were selectively elicited by the learned threat and not by a novel similar but perceptually discriminable stimulus. Conversely, subjects explicitly misidentified the same novel stimulus as the learned threat. This generalization response was not due to stress-related interference with learning, but related to the embedded threatening value. Therefore, we suggest a dissociation between implicit and explicit threat recognition profiles and propose that the generalization of explicit responses stems from a flexible cognitive mechanism dedicated to the prediction of danger.
A Pixelated Microwave Near-Field Sensor for Precise Characterization of Dielectric Materials
Authors: Saadat-Safa Maryam , Nayyeri Vahid , Ghadimi Ali , Soleimani Mohammad , Ramahi Omar M.
Published: September 2019

A highly sensitive microwave near-field sensor based on electrically-small planar resonators is proposed for highly accurate characterization of dielectric materials. The proposed sensor was developed in a robust complete-cycle topology optimization procedure wherein first the sensing area was pixelated. By maximizing the sensitivity as our goal, a binary particle swarm optimization algorithm was applied to determine whether each pixel is metalized or not. The outcome of the optimization is a pixelated pattern of the resonator yielding the maximum possible sensitivity. A curve fitting method was applied to the full-wave simulation results to derive a closed form expression for extracting the dielectric constant of a chemical material from the shift in the resonance frequency of the sensor. As a proof of concept, the sensor was fabricated and used to measure the permittivity of two known liquids (cyclohexane and chloroform) and their mixtures with different volume ratios. The experimentally extracted dielectric constants were in an excellent agreement with the reference data (for pure cyclohexane and chloroform) or those obtained by mixture formulas.
Expression analysis and implication of Rab1A in gastrointestinal relevant tumor
Authors: Xu Menglin , Shao Xinyu , Kuai Xiaoyi , Zhang Liping , Zhou Chunli , Cheng Zhengwu
Published: September 2019

Gastrointestinal cancers have become increasingly prevalent worldwide. Previous studies have reported an oncogenic function of Rab1A in colorectal cancer and hepatocellular carcinomas via the mTOR pathway. However, the exact role of Rab1A in gastrointestinal cancers remains elusive. We detected significantly higher expression of Rab1A in the gastrointestinal tumor tissues compared to that in other cancer types following an in silico analysis of TGCA and GTEX databases. Furthermore, Rab1A was overexpressed in the gastrointestinal tumor tissues compared to the para-tumor tissues. Although Rab1A expression levels were not associated with the tumor-lymph node-metastasis (TNM) stage, Rab1A overexpression in the tumor tissues of a gastric cancer (GC) cohort was strongly correlated with poor prognosis in the patients. In addition, Rab1A knockdown significantly inhibited the in vitro proliferation and migration abilities of GC cells, as well as the growth of GC xenografts in vivo. Furthermore, a positive correlation was observed between Rab1A expression levels and that of different upstream/downstream mTOR targets. Taken together, Rab1A regulates the PI3K-AKT-mTORC1 pathway through the mTORC1 complex consisting of mTORC1, Rheb and Rab1A, and is a promising therapeutic target in GC.
Time evolution of Symmetry-forbidden Raman lines activated by photorefractivity
Authors: Kokanyan Ninel , Bazzan Marco , Vittadello Laura , Chapron David , Kokanyan Edvard , Fontana Marc D.
Published: September 2019

Transmission Raman spectroscopy experiments were performed on iron doped congruent lithium niobate within two –in principle equivalent- configurations, namely Y(ZX)Y and Y(XZ)Y. While the former respects the Raman selection rules, the other configuration gives a time dependent spectrum that, after a transient time of several minutes, finally results in a mixture of expected and forbidden modes. This breaking of Raman selection rules is caused by the spontaneous conversion of a part of the ordinarily polarized pump beam into an extraordinarily polarized beam by photorefractive anisotropic self-scattering. A numerical modelling of the phenomenon is developed and fairly reproduces the time dependence of conversion energy.
Effectiveness of hypnosis for pain management and promotion of health-related quality-of-life among people with haemophilia: a randomised controlled pilot trial
Authors: Paredes Ana Cristina , Costa Patrício , Fernandes Susana , Lopes Manuela , Carvalho Manuela , Almeida Armando , Pinto Patrícia Ribeiro
Published: September 2019

Joint deterioration and associated chronic pain are common among people with haemophilia (PWH), having an impact on quality-of-life. Though non-pharmacological strategies are recommended, psychological interventions to promote pain control and quality-of-life have scarcely been tested in haemophilia. This randomised controlled pilot trial aimed to assess feasibility, acceptability and effectiveness of hypnosis for pain management and promotion of health-related quality-of-life (HRQoL) among PWH. Twenty adults were randomised either to four weekly hypnosis sessions plus treatment-as-usual (experimental group; EG) or treatment-as-usual only (control group; CG). Participants completed sociodemographic and clinical assessment, measures of pain, HRQoL and emotional distress before (T1) and after (T2) intervention. Changes were analysed by calculating the differences between T1 and T2, and the groups were compared through independent-sample t tests (or chi-squared). Retention rates (90%) and analysis of patient satisfaction showed good acceptability and feasibility of the intervention. The EG (n = 8) had a higher reduction on pain interference than the CG (n = 10) (d = −0.267). A higher improvement on HRQoL (EQ-5D index: d = 0.334; EQ-5D VAS: d = 1.437) and a tendency towards better haemophilia-related quality-of-life (A36-Hemofilia QoL) were also evident in the EG. This is the first study showing the effectiveness of hypnosis to reduce pain interference and promote HRQoL among PWH.
The inhibition effect mechanisms of four scale inhibitors on the formation and crystal growth of CaCO3 in solution
Authors: Li Changjun , Zhang Chaoyi , Zhang Wuping
Published: September 2019

The experimentation, molecular dynamics simulation and DFT calculation were used to study the inhibition effects of four scale inhibitors, including polyacrylic acid (PAA), hydrolyzed polymaleic anhydride (HPMA), polyepoxysuccinic acid (PESA) and polyaspartic acid (PASP), on formation and crystal growth of CaCO3 in solutions. According to concentrations of Ca2+ in solutions, the sequence of inhibition effects of scale inhibitors on formation of CaCO3 in the solution was PESA > PASP > HPMA > PAA. Characterization of CaCO3 crystals by XRD and a laser particle size analyzer indicated that the sequence of inhibition effects of scale inhibitors on crystal growth of CaCO3 in solutions was PESA > HPMA > PASP > PAA. Interaction energies between the scale inhibitor molecule and Ca2+, and between the scale inhibitor molecule and the CaCO3 (104) surface indicated that the difference of the inhibition effects was derived from the difference in the interaction energy. The results of DFT calculation indicated that the difference between the interaction energies of these inhibitors and Ca2+ was derived from differences of number and the Mulliken population values of the chemical bonds which formed between the inhibitor molecule and Ca2+ and between the inhibitor molecule and the CaCO3 surface.
The impact of short-term incentives on physical activity in a UK behavioural incentives programme
Authors: Hajat Cother , Hasan Ali , Subel Shaun , Noach Adam
Published: September 2019

This observational study investigates whether the provision of ongoing short-term-incentives for verified physical activity increases and sustains levels of physical activity. We compared UK members at baseline (years 1 and 2) prior to Vitality’s Active Rewards (VAR) intervention commencing (year 3) and follow-up (year 4) for verified, self-reported (encompassing additional physical activities), mortality relative risk and satisfaction with physical activity. Members were categorised into low-active, medium-active and high-active by tertiles of baseline physical activity. Of 11,881 participants, 6477(54.5%) were male, with mean age 39.7(SD 9.8) years. At follow-up, annual active days had increased by 56% overall [60.8(59.7–61.9)–94.8(93.0–96.5)]; 554% in low-active [8.5(8.3–8.7)–47.1(44.7–49.5)]; 205% in medium-active [39.8(39.4–40.2)–81.4(78.7–84.1)] and 17% in high-active members [131.7(129.9–133.5)–153.7(150.7–156.7)] (all p < 0.001). Annual weeks of attaining international physical activity recommendations increased by 19% overall [22.2(42.8%)–26.4(50.8%)] and by 316% for low-active members [4.9(9.5%)–15.5(29.8%)]. Self-reported active minutes/week increased by 45% overall [1423(139.4–145.2)–207.0(201.8–212.3)] and 712% in low-active members [20.1(19.3–21.0)–143.2(134.6–151.9)]. Happiness with exercise levels also increased from 1985(49.4%) to 3414(84.9%) members (all p < 0.001). The relative risk of mortality from a lack of physical activity reduced by 7% for low-active members [from 0.99 to 0.92], 5% for medium-active [0.94–0.89] and 3% for high-active [0.89–0.86](p < 0.001) and by 0.02% for each additional year of age (p = 0.02). This large-scale, real-world, short-term-incentives intervention led to a dramatic increase in physical activity which was sustained for, and still increasing after, two years. If applied at broader level, this approach could considerably aid progress towards WHO targets in its Global Action Plan for Physical Activity.
A synchrotron-based infrared microspectroscopy study on the cellular response induced by gold nanoparticles combined with X-ray irradiations on F98 and U87-MG glioma cell lines
Authors: Martínez-Rovira I. , Seksek O. , Yousef I.
Published: September 2019

Synchrotron-based infrared microspectroscopy is a powerful tool for nanoparticle-based treatment response at single cell-level.
Determination of tryptophan metabolism from biological tissues and fluids using high performance liquid chromatography with simultaneous dual electrochemical detection
Authors: Brooks Emily L. , Mutengwa Vongai S. , Abdalla Aya , Yeoman Mark S. , Patel Bhavik Anil
Published: September 2019

Our study develops a methodology for monitoring of analytes from the kynurenine and serotonin pathway following tryptophan metabolism.
A fluorescent nanoprobe based on azoreductase-responsive metal–organic frameworks for imaging VEGF mRNA under hypoxic conditions
Authors: Liu Na , Zou Zhen , Liu Jin , Zhu Cong , Zheng Jing , Yang Ronghua
Published: September 2019

A new fluorescent nanoprobe based on azoreductase-responsive functional AMOFs was developed to realize the imaging of VEGF mRNA under hypoxic conditions.
Analysis of multiclass cyanotoxins (microcystins, anabaenopeptins, cylindrospermopsin and anatoxins) in lake waters using on-line SPE liquid chromatography high-resolution Orbitrap mass spectrometry
Authors: Roy-Lachapelle Audrey , Vo Duy Sung , Munoz Gabriel , Dinh Quoc Tuc , Bahl Emmanuelle , Simon Dana F. , Sauvé Sébastien
Published: September 2019

An on-line SPE-UHPLC-HRMS method was optimized for filtration, on-line SPE, and HRMS conditions for the rapid screening of 17 cyanotoxins. 8 cyanotoxins were detected with 75% of lakes containing MC-LR and 38% containing anabaenopeptins (A or B).
Volatile component analysis in infant formula using SPME coupled with GC×GC-TOFMS
Authors: Wang Zhen , Wang Hong , Wang Chengjie , Yang Xu
Published: September 2019

Analysis of infant formula volatile components for quality evaluation using SPME coupled with GC×GC-TOFMS.
Comprehensive screening of multiclass illegal adulterants in herbal supplements and Spice-type drugs using specific MS/MS fragmentations by UHPLC-Q/TOF-MS
Authors: Hur Jisu , Lee Wonwoong , Kim Beom Hee , Kim Hyun Ji , Lee Do Hee , Lee Ji Hyun , Lee Yong Moon , Oh Han Bin , Hong Jongki
Published: September 2019

In this study, a comprehensive screening method for 98 multi-class illegal adulterants (19 NSAIDS, 31 weight loss drugs, 35 psychotropic substances, and 13 cannabinoids) in dietary supplements and Spice drugs was suggested by UHPLC-Q/TOF-MS.
1D convolutional neural network for the discrimination of aristolochic acids and their analogues based on near-infrared spectroscopy
Authors: Chen Xiaoyi , Chai Qinqin , Lin Ni , Li Xianghui , Wang Wu
Published: September 2019

An end-to-end 1D-CNN based on the NIRS technique is proposed to non-destructively and effectively discriminate aristolochic acids and their analogues.
Multicolor tunable highly luminescent carbon dots for remote force measurement and white light emitting diodes
Authors: Liu Ya , Zhang Miaoran , Wu Yanfen , Zhang Rui , Cao Yi , Xu Xiaqing , Chen Xi , Cai Lulu , Xu Quan
Published: September 2019

A one-step solvothermal method was exploited to synthesize blue, yellow and red carbon dots with high quantum yield by altering the corresponding reaction solvent.
Nitrobenzyl-based fluorescent photocages for spatial and temporal control of signalling lipids in cells
Authors: Gaur Pankaj , Kucherak Oleksandr A. , Ermakova Yulia G. , Shvadchak Volodymyr V. , Yushchenko Dmytro A.
Published: September 2019

Here we present a set of fluorescent cages prepared by tethering fluorescent dyes to a photolabile group.
A supramolecular hydrogel to boost the production of antibodies for phosphorylated proteins
Authors: Wang Youzhi , Li Xinxin , Zhang Yiming , Wang Ling , Yang Zhimou
Published: September 2019

We reported on a method of using hydrogels to selectively increase the production of antibodies for phosphorylated proteins.
Biocompatible conjugated fluorenylporphyrins for two-photon photodynamic therapy and fluorescence imaging
Authors: Shi Limiao , Nguyen Christophe , Daurat Morgane , Dhieb Abdelhamid Chiheb , Smirani Wajda , Blanchard-Desce Mireille , Gary-Bobo Magali , Mongin Olivier , Paul-Roth Christine , Paul Frédéric
Published: September 2019

Three new biocompatible porphyrin-based oxygen photosensitisers were tested in vitro on breast cancer cells via 2P-PDT: one of them, 66 times more active than H2TPP, gave quite promising results for theranostic applications.
Perfluorophenylboronic acid-catalyzed direct α-stereoselective synthesis of 2-deoxygalactosides from deactivated peracetylated d-galactal
Authors: Tatina Madhu Babu , Moussa Ziad , Xia Mengxin , Judeh Zaher M. A.
Published: September 2019

Perfluorophenylboronic acid 1c catalyzes the direct stereoselective addition of alcohol nucleophiles to deactivated peracetylated d-galactal 2 to give 2-deoxygalactosides 4a–o, 6a–11a in 55–88% yield with complete α-selectivity.
Phthalimide-based “D–N–A” emitters with thermally activated delayed fluorescence and isomer-dependent room-temperature phosphorescence properties
Authors: Zhang Liang , Li Meng , Hu Tai-Ping , Wang Yin-Feng , Shen Yi-Fan , Yi Yuan-Ping , Lu Hai-Yan , Gao Qing-Yu , Chen Chuan-Feng
Published: September 2019

Phthalimide-based “D–N–A” emitters showed TADF and ultralong RTP properties, and could be applied as a security ink in anti-counterfeiting materials.
1,1-Phosphinoboration of diazomethanes
Authors: Trofimova Alina , LaFortune James H. W. , Qu Zheng-Wang , Westcott Stephen A. , Stephan Douglas W.
Published: September 2019

The reactions of the phosphinoboranes Ph2PBMes2, Ph2PBpin, and Ph2PBcat with the diazomethanes Ph2CN2, C12H8CN2, and EtO2CCHN2 are shown to give products of 1,1-phosphinoboration.
Photolysis of a calixpyridinium-based supramolecular amphiphilic assembly and its selective turn-on fluorescence recognition of lysine in water
Authors: Wang Kui , Dou Hong-Xi , Wang Meng-Meng , Wu Yue , Zhang Ze-Hao , Xing Si-Yang , Zhu Bo-Lin , Feng Yu-Xin
Published: September 2019

A new calixpyridinium-based light-responsive host–guest recognition motif was found in this work. This host–guest recognition motif was further discovered to be applied as a selective turn-on fluorescent sensor for lysine.
Unravelling a general mechanism of converting ionic B/N complexes into neutral B/N analogues of alkanes: Hδ+⋯Hδ– dihydrogen bonding assisted dehydrogenation
Authors: Chen Xi-Meng , Liu Si-Cong , Xu Cong-Qiao , Jing Yi , Wei Donghui , Li Jun , Chen Xuenian
Published: September 2019

Different mechanisms for [NH3BH2NH3]+[BH4]− → NH3BH3 + [NH2BH2]n and [NH4]+[BH3NH2BH3]− → NH3BH2NH2BH3 have been elucidated, which leads to the proposal of a general mechanism as below.
Efficient electrospinning fabrication and the underlying formation mechanism of one-dimensional monoclinic Li2FeSiO4 nanofibers
Authors: Zhang Wenheng , Liang Longwei , Ju Yan , Liu Yang , Hou Linrui , Yuan Changzhou
Published: September 2019

Monoclinic Li2FeSiO4 nanofibers were first smartly fabricated via a controllable electrospinning technique along with subsequent calcination in an air/O2 atmosphere in sequence, and the involved formation mechanism was reasonably proposed.
Precise control of the growth and size of Ni nanoparticles on Al2O3 by a MOF-derived strategy
Authors: Li Sha , Wang Qianqian , Lu Jingjun , Deng Xiaonan , Bi Shinan , Song Zhiwen , Guo Chao , Li Ruifeng , Yan Xiaoliang
Published: September 2019

Homogeneous and small Ni nanoparticles are generated from a MOF-derived strategy, originating from the formation of surface NiAl2O4 and the inherent confinement effect.
Natural and synthetic metal oxalates – a topology approach
Authors: Dazem Cyrielle L. F. , Amombo Noa Francoise M. , Nenwa Justin , Öhrström Lars
Published: September 2019

Network topology analysis is applied to a large number of mineral and synthetic oxalates, and is shown to be a superior method in describing and communicating the structure of these materials, including the first natural MOF weddellite.
Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands
Authors: Yuan Fei , Yuan Chun-Mei , Zhou Chun-Sheng , Qiao Cheng-Fang , Lu Lu , Ma Ai-Qing , Singh Ayushi , Kumar Abhinav
Published: September 2019

Three d10-based coordination polymers with three different nitrogen-based ancillary ligands have been synthesized and their photocatalytic properties were explored in the decomposition of methyl violet.
Anti-parallel dimer and tetramer formation of cyclic and open structure tertiary amides, N-methyl-2-pyrrolidone and N,N-dimethylacetamide, in solution of a non-polar solvent, benzene
Authors: Tagawa Ayana , Shikata Toshiyuki
Published: September 2019

N-Methyl-2-pyrrolidone and N,N-dimethylacetamide form anti-parallel dimers and tetramers in a dipole configuration in the pure liquid state and solution.
Impact of effective polarisability models on the near-field interaction of dissolved greenhouse gases at ice and air interfaces
Authors: Fiedler Johannes , Parsons Drew F. , Burger Friedrich Anton , Thiyam Priyadarshini , Walter Michael , Brevik I. , Persson Clas , Buhmann Stefan Yoshi , Boström Mathias
Published: September 2019

The microscopic behaviour of neutral and dissolved particles near the boundary interface has been investigated. Depending on the applied excess polarisability model the results change dramatically from attraction to repulsion.
Mechanisms and kinetic studies of OH-initiated atmospheric oxidation of methoxyphenols in the presence of O2 and NOx
Authors: Sun Yanhui , Xu Fei , Li Xiaofan , Zhang Qingzhu , Gu Yuanxiang
Published: September 2019

Methoxyphenols, as the main products and tracers of biomass burning, have been demonstrated to play an important role in the formation of secondary organic aerosols.
Dependency of f states in fluorite-type XO2(X = Ce, Th, U) on the stability and electronic state of doped transition metals
Authors: Ding Qian , Qiu Ruizhi , Ao Bingyun
Published: September 2019

Transition metals (TMs) exhibit different quantum-mechanical oxidation state (OSqm) population when doped into fluorite-type CeO2, ThO2and UO2.
Multi-conformational monomer and dimer steady-states in domains of a few molecules: the consequences on the phosphorescence emission bands
Authors: Soares Gustavo H. R. , Jardim Guilherme A. M. , da Silva Júnior Eufrânio N. , Cury Luiz A.
Published: September 2019

The room temperature phosphorescence red-shifts as a consequence of the formation of dimers and/or more complex aggregated states.
First-principles study on the gas-phase decomposition of bio-oil oxygenated compounds over the palladium catalyst surface
Authors: Verma Anand Mohan , Kishore Nanda
Published: September 2019

The upgrading of bio-oil model compounds (2-butenal, butan-2,3-diol, and butan-2,3-dione) over Pd(111) catalyst surface under the framework of density functional theory (DFT).
Long-lived MLCT states for Ru(ii) complexes of ferrocene-appended 2,2′-bipyridines
Authors: Barnsley Jonathan E. , Findlay James A. , Shillito Georgina E. , Pelet William S. , Scottwell Synøve Ø. , McIntyre Sam M. , Tay Elliot J. , Gordon Keith C. , Crowley James D.
Published: September 2019

In this study, we present two ruthenium(ii) diimine complexes appended with ferrocene which show metal to ligand charge transfer3MLCT emission lifetimes around 630 ns.
New strong extrafunctionalizable tris(3,4-HP) and bis(3,4-HP) metal sequestering agents: synthesis, solution and in vivo metal chelation
Authors: Nurchi Valeria M. , Cappai Rosita , Chand Karam , Chaves Sílvia , Gano Lurdes , Crisponi Guido , Peana Massimiliano , Zoroddu M. Antonietta , Santos M. Amélia
Published: September 2019

New polydentate 3-hydroxy-4-pyridinones: strong chelators for Fe and Al, excellent in vivo metal sequestration and excretion profiles; extrafunctionalizable for biotargeting purposes.
Stabilizing defects in metal–organic frameworks: pendant Lewis basic sites as capping agents in UiO-66-type MOFs toward highly stable and defective porous materials
Authors: Fast Caleb D. , Woods Jason , Lentchner Jared , Makal Tegan A.
Published: September 2019

Highly defective UiO-66-type MOFs are stabilized by Lewis basic sites on pendant groups, resulting in water-, acid-, and base-stable MOFs.
Direct dynamics analysis of the cationic Cp*(PMe3)Ir(CH3) methane C–H activation mechanism
Authors: Carlsen Ryan , Jenkins Jordan R. , Ess Daniel H.
Published: September 2019

Quasiclassical direct dynamics reveal a dynamical one-step organometallic mechanism for the σ-bond metathesis reaction between Cp*(PMe3)IrIII(CH3) and methane.
Selective catalytic oxidation of benzene to phenol by a vanadium oxide nanorod (Vnr) catalyst in CH3CN using H2O2(aq)and pyrazine-2-carboxylic acid (PCA)
Authors: Wanna Wondemagegn Hailemichael , Janmanchi Damodar , Thiyagarajan Natarajan , Ramu Ravirala , Tsai Yi-Fang , Pao Chih-Wen , Yu Steve S.-F.
Published: September 2019

A vanadium oxide nanorod (Vnr) catalyst has been synthesized without using surfactants through crystallization, which is highly active for benzene to phenol oxidation.
Reversible mechanochromism and aggregation induced enhanced emission in phenothiazine substituted tetraphenylethylene
Authors: Khan Faizal , Ekbote Anupama , Misra Rajneesh
Published: September 2019

Reversible mechanofluorochromism (MFC) and aggregation induced emission (AIE) properties of phenothiazine functionalized tetraphenylethylene derivatives were investigated.
Insight into the adsorption mechanisms of aqueous hexavalent chromium by EDTA intercalated layered double hydroxides: XRD, FTIR, XPS, and zeta potential studies
Authors: Li Jing , Yan Liangguo , Yang Yanting , Zhang Xue , Zhu Rixin , Yu Haiqin
Published: September 2019

To understand the possible mechanisms of Cr(vi) adsorption on the surface of modified LDHs, we synthesized EDTA intercalated MgAl-LDH and its magnetic product, and evaluated their adsorption performance for Cr(vi) by batch experiments.
Yolk–shell structured metal oxide@carbon nanoring anode boosting performance of lithium-ion batteries
Authors: Ma Guolu , Chen Huixin , Wu Hong-Hui , Zhang Li , Zhang Kaili , Zhang Qiaobao
Published: September 2019

A high-performance anode of nanoring-like Fe2O3@carbon with a yolk–shell structure enables excellent capacity, rate capability, and cycle stability of lithium-ion batteries.