bluuebunny/crossref_metadata_2025 huggingface dataset:
Novel pyrazolopyrimidine urea derivatives: Synthesis, antiproliferative activity, VEGFR‐2 inhibition, and effects on the cell cycle profile
Authors: Kassab Asmaa E. , El‐Dash Yara , Gedawy Ehab M.
Published: February 2020

A series of novel diaryl urea pyrazolopyrimidine derivatives was designed and synthesized. All the synthesized compounds were evaluated for cytotoxic activity by the National Cancer Institute. A significant antiproliferative activity at a 10‐µM dose was shown by four compounds (5c, 5e, 5g, and 5h), and they were accordingly evaluated at five concentrations. They showed a potent and broad‐spectrum antiproliferative activity, with GI50 values between 0.553 and 3.80 µM and TGI values in the range of 2.17–100 µM. These four compounds potently inhibited the vascular endothelial growth factor receptor‐2 (VEGFR‐2) with IC50 values in the nanomolar range. Molecular docking attributed their potent VEGFR‐2 inhibitory activity to their interactions with key amino acids in the VEGFR‐2 active site. Their flow cytometric analysis showed that they exerted their cytotoxic activity by reduction of the cellular proliferation and by induction of cell cycle arrest at the G2/M phase. Additionally, they induced DNA degradation or fragmentation, confirming the role of apoptosis in the cancer cell death and cytotoxicity induced by these compounds.
Achievement of Remission in Two Early Rheumatoid Arthritis Cohorts Implementing Different Treat‐to‐Target Strategies
Authors: Norvang Vibeke , Brinkmann Gina H. , Yoshida Kazuki , Lillegraven Siri , Aga Anna‐Birgitte , Sexton Joseph , Tedeschi Sara K. , Lyu Houchen , Norli Ellen S. , Uhlig Till , Kvien Tore K. , Mjaavatten Maria D. , Solomon Daniel H. , Haavardsholm Espen A. ,   the ARCTIC Trial Group and the NOR‐VEAC Study Group
Published: February 2020

Objective

The objective of this study was to compare achievement of remission in 2 early rheumatoid arthritis (RA) treat‐to‐target (TTT) cohorts, a tight control cohort with a target of stringent remission in a randomized controlled trial and an observational cohort targeting a looser definition of remission in clinical practice.

Methods

We analyzed data from the Aiming for Remission in Rheumatoid Arthritis: a randomised trial examining the benefit of ultrasound in a Clinical Tight Control regimen (ARCTIC) trial and the Norwegian Very Early Arthritis Clinic (NOR‐VEAC) observational study. Both were Norwegian multicenter studies that included disease‐modifying antirheumatic drug (DMARD)–naive RA patients and implemented TTT. The target in the ARCTIC trial was remission defined as a Disease Activity Score (DAS) of <1.6 plus 0 swollen joints on a 44‐joint count, while the target in the NOR‐VEAC study was the less stringent remission target of a DAS28 of <2.6. We assessed achievement of the study‐specific targets and compared the odds of achieving the American College of Rheumatology(ACR)/European League Against Rheumatism (EULAR) Boolean remission during 2 years of follow‐up.

Results

We included 189 patients from the ARCTIC trial and 330 patients from the NOR‐VEAC study. The study‐specific target had been achieved in more than half of the patients in each cohort at 6 months, increasing to >60% at 12 and 24 months. The odds of achieving ACR/EULAR Boolean remission during follow‐up were higher in the ARCTIC trial than in the NOR‐VEAC study, with significant differences at 3 months (odds ratio 1.73 [95% confidence interval 1.03–2.89]), 12 months (odds ratio 1.97 [95% confidence interval 1.21–3.20]), and 24 months (odds ratio 1.82 [95% confidence interval 1.05–3.16]).

Conclusion

A majority of patients in both cohorts reached the study‐specific treatment targets. More patients in the ARCTIC trial than in the NOR‐VEAC study achieved ACR/EULAR Boolean remission during follow‐up, suggesting that targeting a more stringent definition of remission provides further potential for favorable outcomes of a TTT strategy.
Overexpression, overproduction, purification, and characterization of rhGH in Escherichia coli
Authors: Keshavarz Reyhane , Babaeipour Valiollah , Mohammadpour‐Aghdam Mehdi , Deldar Ali Asghar
Published: February 2020

Overexpression of insoluble human growth hormone (hGH) in cytoplasm was achieved by E. coli Rosetta‐gami B(DE3) [pET21a (+)‐hGH]). For overexpression of hGH, effects of eight factors including temperature, type and concentration of carbon source, IPTG and MgSO4, buffering capacity, induction time, yeast extract/peptone ratio on rhGH production were studied by Plackett–Burman screening. Maximum production of rhGH was 0.681 g/L, and results of statistical analysis showed that induction temperature and glucose have the greatest effect and the presence of MgSO4 increases rhGH expression and reduces biomass concentration. So, the effect of ethanol and MgSO4 concentrations on the rhGH production was examined according to the central composite experimental design. The ANOVA of the results showed rhGH production increases to 1.128 g/L in 4 g/L MgSO4 and 1% ethanol. Then, the impact of glucose concentration and induction time on the rhGH production was evaluated in two levels in the fermenter by Taguchi statistical method. Under optimum conditions, OD600nm 4 and 10 g/L glucose crude rhGH concentration 4.17 g/L was obtained, which is one of the highest value ever reported. Finally, rhGH was purified using the biophysical and biochemical techniques comprising circular dichroism, fluorescent spectroscopy, and dynamic light scattering, and it was confirmed that the produced protein is comparable to the commercial standard sample.
Supramolecular Catalysis by Carboxylated Pillar[n]arenes
Authors: Kosiorek Sandra , Rad Nazar , Sashuk Volodymyr
Published: February 2020

Pillar[n]arenes constitute the most recognizable macrocyclic compounds discovered recently. So far, research has been focused on their binding properties, while the catalytic properties were poorly explored. Herein we present the study of the binding as well as the catalytic properties of pillar[5]‐ and pillar[6]arenes functionalized with carboxylic groups in water. We show that electrostatic stabilization is not the main driving force during the binding, however, it is crucial for catalysis. The macrocycles promote the hydrolysis of a wide variety of hydrazones, and their catalytic activity, in essence, is determined by the barrier of the passage of the substrate through the macrocyclic cavity. This opens up new perspectives for these macrocycles that could make a strong competition to traditional supramolecular catalysts such as cyclodextrins or cucurbiturils.
Enhanced zippy restricted Boltzmann machine for feature expansion and improved classification of analytical data
Authors: Harrington Peter B.
Published: February 2020

Restricted Boltzmann machines (RBMs) are components found in many deep learning algorithms. RBMs originally were designed for binary image data. Some advances in RBM algorithms have been made so that they may accept real‐valued inputs that are typical for analytical chemistry measurements. However, these algorithms are difficult to train and require fine‐tuning of the parameters. The RBM algorithm was modified to furnish the enhanced zippy RBM (EZRBM) that trains reliably and robustly with respect to the parameters. In addition, feature augmentation (ie, fusing the RBM linear inputs and nonlinear outputs) improves the classification rate while reducing the dependence of the RBM training parameters. Two different classifiers were used, the support vector classifier (SVC) and super partial least squares–discriminant analysis (sPLS‐DA), to evaluate the performance. Classifiers built from the EZRBM outputs performed better than those built from the continuous RBM and the Gaussian RBM (GRBM) outputs when validated using 100 bootstraps with two Latin partitions. Three datasets were used. The first was an overdetermined set of eight fatty acid concentrations for 572 olive oils from nine regions of Italy. The second was 75 UV spectra of 15 Cannabis extracts with 101 measurements made from 200 to 400 nm. The third set comprised 60 proton nuclear magnetic resonance (NMR) spectra of 12 tea extracts that had 1000 chemical shift measurements from 0.5 to 7.0 ppm. In every evaluation, the augmented EZRBM had better classification performance than the classifiers without the RBM. The classifiers built with EZRBM outperformed the other RBM algorithms except for a single instance. Recently, RBMs have been considered a transform into a dual feature space.
A Novel Visible Range FRET Probe for Monitoring Acid Sphingomyelinase Activity in Living Cells
Authors: Kappe Christian , Mohamed Zainelabdeen H. , Naser Eyad , Carpinteiro Alexander , Arenz Christoph
Published: February 2020

Activity of acid sphingomyelinase has been implicated in a number of diseases like acute lung injury, sepsis or metastasis of melanoma cells. Here, we present a sphingomyelinase FRET probe based on FAM/BODIPY dyes for real‐time monitoring of acid sphingomyelinase. The probe gives rise to a tremendous increase in fluorescence of the fluorescein FRET donor upon cleavage and we show that this is, to a significant part, due to cleavage‐associated phase transition, suggesting a more systematic consideration of such effects for future probe development. The probe allows for the first time to monitor relative sphingomyelinase activities of intact living cells by flow cytometry.
Total Synthesis of Tri‐, Hexa‐ and Heptasaccharidic Substructures of the O‐Polysaccharide of Providencia rustigianii O34
Authors: Ahadi Somayeh , Awan Shahid I. , Werz Daniel B.
Published: February 2020

A general and efficient strategy for synthesis of tri‐, hexa‐ and heptasaccharidic substructures of the lipopolysaccharide of Providencia rustigianii O34 is described. For the heptasaccharide seven different building blocks were employed. Special features of the structures are an α‐linked galactosamine and the two embedded α‐fucose units, which are either branched at positions‐3 and ‐4 or further linked at their 2‐position. Convergent strategies focused on [4+3], [3+4], and [4+2+1] couplings. Whereas the [4+3] and [3+4] coupling strategies failed the [4+2+1] strategy was successful. As monosaccharidic building blocks trichloroacetimidates and phosphates were employed. Global deprotection of the fully protected structures was achieved by Birch reaction.
Synthesis, Electronic Properties and OLED Devices of Chromophores Based on λ5‐Phosphinines
Authors: Pfeifer Gregor , Chahdoura Faouzi , Papke Martin , Weber Manuela , Szűcs Rózsa , Geffroy Bernard , Tondelier Denis , Nyulászi László , Hissler Muriel , Müller Christian
Published: February 2020

A new series of 2,4,6‐triaryl‐λ5‐phosphinines have been synthesized that contain different substituents both on the carbon backbone and the phosphorus atom of the six‐membered heterocycle. Their optical and redox properties were studied in detail, supported by in‐depth theoretical calculations. The modularity of the synthetic strategy allowed the establishment of structure–property relationships for this class of compounds and an OLED based on a blue phosphinine emitter could be developed for the first time.
Hydrazone‐Linked Heptazine Polymeric Carbon Nitrides for Synergistic Visible‐Light‐Driven Catalysis
Authors: Zhang Wei , Xu Congying , Kobayashi Takeshi , Zhong Yun , Guo Zhiyong , Zhan Hongbing , Pruski Marek , Huang Wenyu
Published: February 2020

Heptazine‐based conjugated polymeric carbon nitrides (PCNs) are promising metal‐free photocatalysts, yet their synthesis is challenging due to the electron‐deficiency and insolubility of heptazine units. Indeed, heptazine‐containing polymers have only been prepared through nucleophilic substitution with amines by using toxic cyameluric chloride as the starting material. Herein, we report the novel and environmentally friendly method for preparing heptazine‐based mesoporous PCNs with hydrazone links formed through a simple Schiff base condensation of melem‐NH2 and aldehydes. Unlike cyameluric chloride, melem‐NH2 is non‐toxic, stable, and can be readily obtained from melem and hydrazine in solution. We demonstrate that the hydrazone linkages and the heptazine units synergistically enhance the photocatalytic activity of PCNs in visible‐light‐driven aerobic oxidation of benzyl alcohol to benzaldehyde. In particular, the polymer constructed from melem‐NH2 and p‐phthalaldehyde shows 17 times more activity than graphitic carbon nitride (g‐C3N4).
The Photocatalyzed Thiol‐ene reaction: A New Tag to Yield Fast, Selective and reversible Paramagnetic Tagging of Proteins
Authors: Denis Maxime , Softley Charlotte , Giuntini Stefano , Gentili Matteo , Ravera Enrico , Parigi Giacomo , Fragai Marco , Popowicz Grzegorz , Sattler Michael , Luchinat Claudio , Cerofolini Linda , Nativi Cristina
Published: February 2020

Paramagnetic restraints have been used in biomolecular NMR for the last three decades to elucidate and refine biomolecular structures, but also to characterize protein‐ligand interactions. A common technique to generate such restraints in proteins, which do not naturally contain a (paramagnetic) metal, consists in the attachment to the protein of a lanthanide‐binding‐tag (LBT). In order to design such LBTs, it is important to consider the efficiency and stability of the conjugation, the geometry of the complex (conformational exchanges and coordination) and the chemical inertness of the ligand. Here we describe a photo‐catalyzed thiol‐ene reaction for the cysteine‐selective paramagnetic tagging of proteins. As a model, we designed an LBT with a vinyl‐pyridine moiety which was used to attach our tag to the protein GB1 in fast and irreversible fashion. Our tag T1 yields magnetic susceptibility tensors of significant size with different lanthanides and has been characterized using NMR and relaxometry measurements.
A new fuzzy‐based method for load balancing in the cloud‐based Internet of things using a grey wolf optimization algorithm
Authors: Xingjun Li , Zhiwei Shao , Hongping Cheng , Mohammed Bayan Omar
Published: February 2020

Cloud computing provides high accessibility, scalability, and flexibility in the era of computing for different practical applications. Internet of things (IoT) is a new technology that connects the devices and things to provide user required services. Due to data and information upsurge on IoT, cloud computing is usually used for managing these data, which is known as cloud‐based IoT. Due to the high volume of requirements, service diversity is one of the critical challenges in cloud‐based IoT. Since the load balancing issue is one of the NP‐hard problems in heterogeneous environments, this article provides a new method for response time reduction using a well‐known grey wolf optimization algorithm. In this paper, we supposed that the response time is the same as the execution time of all the tasks that this parameter must be minimized. The way is determining the status of virtual machines based on the current load. Then the tasks will be removed from the machine with the additional load depending on the condition of the virtual machine and will be transferred to the appropriate virtual machine, which is the criterion for assigning the task to the virtual machine based on the least distance. The results of the CloudSim simulation environment showed that the response time is developed in compared to the HBB‐LB and EBCA‐LB algorithm. Also, the load imbalancing degree is improved in comparison to TSLBACO and HJSA.
Solid Phase Synthesis of Sulfonimidamide Pseudopeptides and Library Generation
Authors: Chinthakindi Praveen K. , Benediktsdottir Andrea , Arvidsson Per I. , Chen Yantao , Sandström Anja
Published: February 2020

Many synthetic routes have been explored to make small molecule sulfonimidamides (SIAs), however, its introduction into larger molecules such as oligopeptides has not been studied before. We herein demonstrate three alternative and complementary methods for synthesis of SIA based pseudopeptides, on solid phase, using both on and off‐resin SIA‐synthesis, via sulfonimidoyl chlorides from sulfonamides, in high conversion. Beside evaluation of various resins such as 2‐CTC, Wang, and Rink amide‐ChemMatrix, the possibilities to further N‐functionalize and cyclize the SIA functionality on solid support are shown. The diastereomers of SIA containing pseudopeptides could in most cases be separated using normal reverse phase preparative HPLC. The solid phase SIA methodology has many advantages when it comes to handling and purification as compared to in solution, and will therefore enable exploration of the SIA group as isosteric substitutions and peptidomimetic building blocks in the development of drug‐like pseudopeptides in many ways. Of particular note these approaches facilitate combinatorial library synthesis as demonstrated herein.
Three‐Component Multi‐Catalytic Enantioselective Oxa‐Michael/Aldolization Sequence and Application to (+)‐Yashabushitriol Synthesis
Authors: Sperandio Céline , Rodriguez Jean , Quintard Adrien
Published: February 2020

By a selective three‐component multi‐catalytic sequence, amino‐catalyzed oxa‐Michael addition of oximes to α,β‐unsaturated aldehydes has been combined with a copper‐catalyzed decarboxylative aldolization. This one‐pot procedure enables the rapid construction of functionalized ketodiol scaffolds in 85 to 94% ee. Simple reduction of both the resulting oxime and ketone functions delivered the corresponding 1,3,5‐triols of interest in a minimum of steps while considerably limiting waste generation. This methodology has been applied to the shortest (4 steps) synthesis of (+)‐yashabushitriol, highlighting the synthetic potential of this new multi‐catalytic sequence.
Men and women differ in the neural basis of handwriting
Authors: Yang Yang , Tam Fred , Graham Simon J. , Sun Guochen , Li Junjun , Gu Chanyuan , Tao Ran , Wang Nizhuan , Bi Hong‐Yan , Zuo Zhentao
Published: February 2020

There is an ongoing debate about whether, and to what extent, males differ from females in their language skills. In the case of handwriting, a composite language skill involving language and motor processes, behavioral observations consistently show robust sex differences but the mechanisms underlying the effect are unclear. Using functional magnetic resonance imaging (fMRI) in a copying task, the present study examined the neural basis of sex differences in handwriting in 53 healthy adults (ages 19–28, 27 males). Compared to females, males showed increased activation in the left posterior middle frontal gyrus (Exner's area), a region thought to support the conversion between orthographic and graphomotor codes. Functional connectivity between Exner's area and the right cerebellum was greater in males than in females. Furthermore, sex differences in brain activity related to handwriting were independent of language material. This study identifies a novel neural signature of sex differences in a hallmark of human behavior, and highlights the importance of considering sex as a factor in scientific research and clinical applications involving handwriting.
Machine learning: Accelerating materials development for energy storage and conversion
Authors: Chen An , Zhang Xu , Zhou Zhen
Published: February 2020

With the development of modern society, the requirement for energy has become increasingly important on a global scale. Therefore, the exploration of novel materials for renewable energy technologies is urgently needed. Traditional methods are difficult to meet the requirements for materials science due to long experimental period and high cost. Nowadays, machine learning (ML) is rising as a new research paradigm to revolutionize materials discovery. In this review, we briefly introduce the basic procedure of ML and common algorithms in materials science, and particularly focus on latest progress in applying ML to property prediction and materials development for energy‐related fields, including catalysis, batteries, solar cells, and gas capture. Moreover, contributions of ML to experiments are involved as well. We highly expect that this review could lead the way forward in the future development of ML in materials science.

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The neural correlates of mindfulness‐induced depression reduction in adults with autism spectrum disorder: A pilot study
Authors: Pagni Broc A. , Walsh Melissa J. M. , Foldes Emily , Sebren Ann , Dixon Maria V. , Guerithault Nicolas , Braden B. Blair
Published: February 2020

Adults with autism spectrum disorder (ASD) experience high rates of depression and anxiety, and some evidence suggests mindfulness‐based stress reduction (MBSR) is effective in reducing these symptoms. However, the neural mechanisms of symptom alleviation, and benefit of MBSR beyond education/support groups are unknown. Maladaptive forms of self‐reflection are linked to ASD, depression, and anxiety. In this pilot study, we hypothesized (a) MBSR would reduce depression and anxiety in adults with ASD and (b) a mechanism of symptom alleviation would be increased blood oxygen level‐dependent signal in neural self‐reflection hubs. Twenty‐eight adults were randomly assigned to an 8‐week MBSR group (n = 15) or a support group (n = 13) that met for the same amount of time with relaxation education materials. Based on previous self‐reflection literature in ASD, regions of interest (ROIs) were middle cingulate cortex (MCC) and ventromedial prefrontal cortex (vmPFC). Only the MBSR group demonstrated significant reductions in depression, and neither group significantly changed in anxiety. Only the MBSR group increased activity of right MCC during self‐reflection, and the increase correlated with depression alleviation. There were no changes in vmPFC for the MBSR group or either ROI for the support/education group. Seed‐to‐voxel connectivity analysis revealed that only the MBSR group increased functional connectivity between right MCC and pre/postcentral gyrus, suggesting MBSR may increase primary sensorimotor input to higher order cognitive brain regions. Taken together, MBSR may be effective for reducing depression in adults with ASD, and the neural mechanism may be increasing frontal circuit involvement during self‐directed thought.
Innovations in framework synthesis as a systematic review method
Authors: Brunton Ginny , Oliver Sandy , Thomas James
Published: February 2020

Framework synthesis is one systematic review method employed to address health care practice and policy. Adapted from framework analysis methods, it has been used increasingly, using both qualitative and mixed‐method systematic review methods. This article demonstrates a spectrum of approaches to framework synthesis that are dependent on the extent to which theory is tentative, emergent, refined, or established; and that stakeholder involvement may help to understand the topic's complexity where theory is more nascent. The choice of approach depends on the degree of match with existing theories and, in the absence of existing theory, the scale and heterogeneity of the literature to be managed.
Resources for forwards citation searching for implementation studies in dementia care: A case study comparing Web of Science and Scopus
Authors: Rogers Morwenna , Bethel Alison , Briscoe Simon
Published: February 2020

Background

Forwards citation searching is a valuable method for finding relevant studies in reviews where concepts are not clearly defined. Scopus and Web of Science can both be used for forwards citation searching but there is little evidence comparing the resources for this purpose.

Method

104 source records relevant to a scoping review of implementation and dissemination strategies in dementia care were checked for inclusion on Web of Science and Scopus. The number of citing references was recorded. Where citing references appeared unique to one of the resources, they were checked for inclusion on the other resource to assess the performance of citation links.

Results

1397 citing references were returned by Scopus and 1010 were returned by Web of Science. For the unique citing references returned by Web of Science (n = 52), 36 were subsequently found to be on Scopus but had failed to be picked up as citing a source record. Of the unique citing references returned by Scopus (n = 355), 83 were found to be on Web of Science but had failed to be picked up as citing a source record.

26 additional relevant records were identified for the review by forwards citation searching. All were found on Scopus; six would have been missed by searching Web of Science alone.

Conclusion

Citation searching using Scopus alone would have found all additional relevant studies for the review. Both Scopus and Web of Science failed to return all citing references from the source records, even where they were present on the database, indicating poor links between citations.
The median and the mode as robust meta‐analysis estimators in the presence of small‐study effects and outliers
Authors: Hartwig Fernando P. , Davey Smith George , Schmidt Amand F. , Sterne Jonathan A. C. , Higgins Julian P. T. , Bowden Jack
Published: February 2020

Meta‐analyses based on systematic literature reviews are commonly used to obtain a quantitative summary of the available evidence on a given topic. However, the reliability of any meta‐analysis is constrained by that of its constituent studies. One major limitation is the possibility of small‐study effects, when estimates from smaller and larger studies differ systematically. Small‐study effects may result from reporting biases (ie, publication bias), from inadequacies of the included studies that are related to study size, or from reasons unrelated to bias. We propose two estimators based on the median and mode to increase the reliability of findings in a meta‐analysis by mitigating the influence of small‐study effects. By re‐examining data from published meta‐analyses and by conducting a simulation study, we show that these estimators offer robustness to a range of plausible bias mechanisms, without making explicit modelling assumptions. They are also robust to outlying studies without explicitly removing such studies from the analysis. When meta‐analyses are suspected to be at risk of bias because of small‐study effects, we recommend reporting the mean, median and modal pooled estimates.
Screening guidelines and recommendations for patients at high risk of developing endocrine cancers
Authors: Geurts Jennifer L. , Strong Erin A. , Wang Tracy S. , Evans Douglas B. , Clarke Callisia N.
Published: February 2020

Screening guidelines in patients with inherited endocrine syndromes and others at high risk for developing endocrine cancers have significant implications as early tumor detection is associated with improved outcomes. Given the unique challenges in diagnosis and treatment, patients at high risk for developing endocrine cancers require multidisciplinary care. The complexity of decision making and rarity of these syndromes support referral to high‐volume centers with the experience and knowledge to treat these at‐risk patients.
Effects of soil and water conservation management and rainfall types on runoff and soil loss for a sloping area in North China
Authors: Huo Jiayi , Yu Xinxiao , Liu Changjun , Chen Lihua , Zheng Wenge , Yang Yuanhui , Tang Zhixuan
Published: February 2020

Runoff and soil erosion on sloping farmland pose a serious threat to agricultural productivity. Soil and water conservation management is considered to be effective in controlling runoff and soil erosion, especially in sloped farmland. In this study, 1910 natural rainfall events were monitored to evaluate the effectiveness of soil and water conservation management and rainfall types on runoff and soil erosion. The results confirmed that fish‐scale pit plots reduced runoff and soil loss by 70.18 and 91.07%. Runoff and soil loss on sloped farmland and naturally sloped plots were significantly higher (p < .05) than the other four soil management interventions. “Intense” events were the main causes of runoff and soil loss production, but the influence of “intense” rainfall events on runoff and soil loss was weakened by narrow terraced farmland. About 10% of the largest rainfall events represented from 21 to 27% of the rainfall depth, from 35 to 54% of the total runoff, and from 71 to 88% of the total soil loss. Rainfall intensity plays a dominant role in soil erosion, while rainfall accumulation is the main influencing factor for runoff. This study showed that soil and water conservation management can have a positive effect on runoff and sediment reduction, and traditional sloping farmland should be reconstructed.
Measuring the scientific publications of double first‐class universities from mainland China
Authors: Wei Fangfang , Zhang Guijie
Published: February 2020

This paper reports a comparative study of the scientific publications of double first‐class universities based on international and domestic Chinese databases from 2006 to 2018. The main results are as follows. Quantitatively, the absolute total number of articles published by Chinese universities has increased. Specifically, the number of international publications in the natural and social sciences from double first‐class universities showed an increasing trend, but the number of domestic journal articles showed the reverse trend. Moreover, based on the number of papers published by each university over the years, we recognized that the ranking changes of universities fall into four categories: rising, declining, stable, and fluctuating. Qualitatively, the international and domestic publications issued by double first‐class universities greatly improved from 2006 to 2018. Moreover, scientific publications, either international or domestic, were unevenly distributed among the double first‐class universities. In general, the double first‐class universities developed rapidly in recent years and play an important role in the development of science and technology in China.
Normative drift and self‐correction in scholarly book publishing: The case of Makerere University
Authors: van Schalkwyk François
Published: February 2020

University academics face multiple pressures to publish. These pressures emanate from contexts with different, often competing, social norms, which result in academics publishing for reasons that may run counter to accepted scientific practice. This paper asks what decisions are being taken by academics when it comes to their choice of scholarly book publisher. An analysis of books selected from more than 2,500 self‐reported scholarly publications produced by academics at Makerere University in Uganda from 2011 to 2017 shows that 31 scholarly books were published. Of these books, more than half (54%) were published by publishers that do not follow accepted scholarly publishing practice. Findings also show that there was a sharp decline in books published with suspect publishers in the second half of the 7‐year period. The article discusses possible reasons for the selection of suspect publishers and considers four factors that may account for the observable decline: (1) a cyclical downturn, (2) improved research management and reporting, (3) explication of the norms of science, and (4) self‐correction.
Novel Non‐methylene‐Interrupted Dienoic and Trienoic Fatty Acids with a Terminal Double Bond in Ovaries of the Limpet Cellana toreuma
Authors: Kawashima Hideki
Published: February 2020

In this study, to obtain further information on the structural diversity of non‐methylene‐interrupted (NMI) fatty acids (FA) in the gonads of the limpet Cellana toreuma, previously unreported minor NMI FA, fractionated by argentation thin‐layer chromatography (TLC), in the ovaries were characterized by gas chromatography–mass spectrometry (GC–MS) analysis of their 3‐pyridylcarbinol derivatives. As a result, five novel NMI FA were identified as 5,14‐pentadecadienoic acid (15: 2Δ5,14), 5,9,18‐nonadecatrienoic acid (19:3Δ5,9,18), 5,9,20‐heneicosatrienoic acid (21:3Δ5,9,20), 7,13,20‐heneicosatrienoic acid (21:3Δ7,13,20), and 5,9,22‐tricosatrienoic acid (23:3Δ5,9,22). Possible biosynthetic pathways for these FA are also discussed in relation to structural variations of NMI FA regioisomers. This study clearly reinforces the findings of our previous works with structurally diverse NMI FA with a terminal double bond.
Stimuli Responsive Scaffolds Based on Carboxymethyl Starch and Poly(2‐Dimethylaminoethyl Methacrylate) for Anti‐Inflammatory Drug Delivery
Authors: Nita Loredana Elena , Chiriac Aurica P. , Rusu Alina Gabriela , Ghilan Alina , Dumitriu Raluca P. , Bercea Maria , Tudorachi Nita
Published: February 2020

The purpose of the study is to obtain multicomponent polyelectrolyte hydrogels with optimal synergistic properties by combining a modified starch with a synthetic one. Thus, new low‐cost and biocompatible semi‐interpenetrating polymer network (semi‐IPN) hydrogels of carboxymethyl starch and poly(2‐dimethylaminoethyl methacrylate) are prepared and investigated. The synthesized hydrogels are studied with respect to the specific characteristics of the gels: swelling kinetics, thermal analysis, viscoelastic characteristics, and their ability to be used as a matrix in drug delivery systems. Therefore, the semi‐IPN gels are loaded with ibuprofen, followed by additional tests to assess the in vitro drug release. The cytocompatibility of the hydrogels with respect to their composition is evaluated in vitro on fibroblast cell culture. The investigations confirm the obtainment of new semi‐IPN hydrogels with pH and temperature responsiveness, good mechanical strength, and potential for use as drug delivery systems or transdermal patches.
Highly Stretchable and Compressible Carbon Nanofiber–Polymer Hydrogel Strain Sensor for Human Motion Detection
Authors: Cheng Baowei , Chang Shulong , Li Hui , Li Yunxing , Shen Weixia , Shang Yuanyuan , Cao Anyuan
Published: February 2020

With the development of technology and the improvement of living standards, wearable electronic devices have attracted more attention. Here, both stretchable and compressible hydrogel strain sensors based on carbon nanofiber powder (CFP) and polyvinyl alcohol (PVA) are prepared by freezing–thawing cycles. The PVA/CFP hydrogel exhibits excellent stretchable (366%) and compressible strains (70%). During 1000 loading–unloading cycles, the PVA/CFP hydrogel has a low plastic deformation (<10%, for both stretching and compressing), small energy loss efficiency (5.62% under stretching and 12.13% under compressing), and stable mechanical strength and excellent sensitivity, at conditions whether it is stretched to 100% or compressed to 50% strains. The stretchable and compressible PVA/CFP hydrogel can not only accurately detect multiple stretching behaviors of human activity, such as bending of joints, swallowing or breathing, but also detect the changes of pressure during walking. Besides, the PVA/CFP hydrogel can operate electronic screens due to its internal ions, with more potential application in soft robotics and electronic skin.
Preparation of Cinnamon Oil‐Loaded Antibacterial Composite Microcapsules by In Situ Polymerization of Pickering Emulsion Templates
Authors: Li Yaozong , Liu Jiaming , He Xiaofen , Kong Dexin , Zhou Chuang , Wu Hong , Yang Ziming , Yang Zhuohong , Hu Yang
Published: February 2020

In this study, the cinnamon oil (CMO)‐loaded antibacterial composite microcapsules with silicon dioxide (SiO2)/poly(melamine formaldehyde) (PMF) hybrid shells are effectively and facilely constructed by in situ polymerization of SiO2 nanoparticle–stabilized Pickering emulsion templates. The morphological structure, composition, and thermal performance of the microcapsules are determined by scanning electronic microscopy, Fourier transform infrared spectroscopy, and thermal gravimetric analysis. In addition, in vitro CMO release and antimicrobial investigations of the microcapsules are also performed, respectively. The results demonstrate that the microcapsules own an approximately spherical shape with a core–shell structure. Moreover, the micro‐encapsulation of CMO clearly increases its thermal stability, and meanwhile results in obtaining microcapsules with the controlled CMO release and visibly long‐term antimicrobial effects. All the results show that in situ polymerization based on templating Pickering emulsions is an attractive method to construct antibacterial essential oil–loaded microcapsules, which can be served as promising antibacterial materials.
Implications of the Gut Microbiome in Parkinson's Disease
Authors: Elfil Mohamed , Kamel Serageldin , Kandil Mohamed , Koo Brian B. , Schaefer Sara M.
Published: February 2020

Parkinson's disease is a common neurodegenerative disorder that presents with nonmotor and motor symptoms. The nonmotor manifestations of Parkinson's disease often begin years before the motor symptoms. Autopsy studies, including both Parkinson's disease patients and matched controls, demonstrated that α‐synuclein aggregates in Parkinson's disease patients can be found in both the substantia nigra and the enteric nervous system. Therefore, it has been hypothesized that the pathological process that leads eventually to Parkinson's disease might initially take place in the enteric nervous system years before the appearance of motor features. The gut microbiome plays essential roles in the development and maintenance of different body systems. Dysbiosis of the normal gut microbiome is thought to be associated with pathophysiologic changes not only in the gastrointestinal system itself but also in the enteric and central nervous systems. These changes are thought to ultimately cause loss of dopaminergic neurons via various mechanisms including the release of neurotoxins into the systemic circulation, decreased production of neuroprotective factors, and triggering inflammatory and autoimmune responses. In this review, we review the gut microbiome changes in Parkinson's disease and discuss the mechanisms by which gut microbiome dysbiosis may be a contributing factor to the pathophysiology of Parkinson's disease. © 2020 International Parkinson and Movement Disorder Society
Automated MRI Classification in Progressive Supranuclear Palsy: A Large International Cohort Study
Authors: Nigro Salvatore , Antonini Angelo , Vaillancourt David E. , Seppi Klaus , Ceravolo Roberto , Strafella Antonio P. , Augimeri Antonio , Quattrone Andrea , Morelli Maurizio , Weis Luca , Fiorenzato Eleonora , Biundo Roberta , Burciu Roxana G. , Krismer Florian , McFarland Nikolaus R. , Mueller Christoph , Gizewski Elke R. , Cosottini Mirco , Del Prete Eleonora , Mazzucchi Sonia , Quattrone Aldo
Published: February 2020

Background

The Magnetic Resonance Parkinsonism Index is listed as one of the most reliable imaging morphometric markers for diagnosis of progressive supranuclear palsy (PSP). However, the use of this index in diagnostic workup has been limited until now by the low generalizability of published results because of small monocentric patient cohorts, the lack of data validation in independent patient series, and manual measurements used for index calculation. The objectives of this study were to investigate the generalizability of Magnetic Resonance Parkinsonism Index performance validating previously established cutoff values in a large international cohort of PSP patients subclassified into PSP–Richardson's syndrome and PSP‐parkinsonism and to standardize the use of the automated Magnetic Resonance Parkinsonism Index by providing a web‐based platform to obtain homogenous measures around the world.

Methods

In a retrospective international multicenter study, a total of 173 PSP patients and 483 non‐PSP participants were enrolled. A web‐based platform (https://mrpi.unicz.it) was used to calculate automated Magnetic Resonance Parkinsonism Index values.

Results

Magnetic Resonance Parkinsonism Index values showed optimal performance in differentiating PSP–Richardson's syndrome and PSP‐parkinsonism patients from non‐PSP participants (93.6% and 86.5% of accuracy, respectively). The Magnetic Resonance Parkinsonism Index was also able to differentiate PSP–Richardson's syndrome and PSP‐parkinsonism patients in an early stage of the disease from non‐PSP participants (90.1% and 85.9%, respectively). The web‐based platform provided the automated Magnetic Resonance Parkinsonism Index calculation in 94% of cases.

Conclusions

Our study provides the first evidence on the generalizability of automated Magnetic Resonance Parkinsonism Index measures in a large international cohort of PSP–Richardson's syndrome and PSP‐parkinsonism patients. The web‐based platform enables widespread applicability of the automated Magnetic Resonance Parkinsonism Index to different clinical and research settings. © 2020 International Parkinson and Movement Disorder Society
Application of the mol2vec Technology to Large‐size Data Visualization and Analysis
Authors: Shibayama Shojiro , Marcou Gilles , Horvath Dragos , Baskin Igor I. , Funatsu Kimito , Varnek Alexandre
Published: February 2020

Generative Topographic Mapping (GTM) is a dimensionality reduction method, which is widely used for both data visualization and structure‐activity modeling. Large dimensionality of the initial data space may require significant computational resources and slow down the GTM construction. Therefore, it may be meaningful to reduce the number of descriptors used for encoding molecular structures. The Principal Component Analysis (PCA), a standard preprocessing tool, suffers from the information loss upon the dimensionality reduction. As an alternative, we propose to use substructure vector embedding provided by the mol2vec technique. In addition to the data dimensionality reduction, this technology also accounts for proximity of substructures in molecular graphs. In this study, dimensionality of large descriptor spaces of ISIDA fragment descriptors or Morgan fingerprints were reduced using either the PCA or the mol2vec method. The latter significantly speeds up GTM training without compromising its predictive power in bioactivity classification tasks.
Development and validation of a bi‐lingual interactive tool to educate people about osteomalacia
Authors: Walker David , Robinson Sandra , Helliwell Philip , Adebajo Ade
Published: February 2020

Osteomalacia is a condition where bone mineralisation is impaired by lack of vitamin D. It more commonly affects darker skinned individuals in the UK, especially if they wear occlusive clothing. Lifestyle changes and Vitamin D supplementation are recommended for those people most at risk through these factors, but such advice is not commonly followed. This indicates an educational need for information on osteomalacia and its treatment.

Using a previously developed Mind‐Map on osteomalacia, a layered and interactive” PowerPoint” style presentation was developed, using hyperlinks. The “basic” layer was translated into Urdu and validated by Urdu speaking professionals. The translation was accurate and meaningful and the tool was well received by representatives of the community. The tool was used to educate a group of 10 community leaders from the Urdu community in Stourbridge, UK. Knowledge about osteomalacia was tested in these people, before and after the education, and increased from an average of 14 to 25 points (p < 0.05). Qualitative feedback gained was very positive.

Conclusion: An interactive educational tool for Osteomalacia was developed and translated into Urdu. Use of the tool resulted in increased knowledge about osteomalacia.
Enhancement of backtracking search algorithm for identifying soil parameters
Authors: Jin Yin‐Fu , Yin Zhen‐Yu
Published: February 2020

In this paper, an enhanced backtracking search algorithm (so‐called MBSA‐LS) for parameter identification is proposed with two modifications: (a) modifying the mutation of original backtracking search algorithm (BSA) considering the contribution of current best individual for accelerating convergence speed and (b) novelly incorporating an efficient differential evolution (DE) as local search for improving the quality of population. The proposed MBSA‐LS is first validated with better performance than the original BSA and some other typical state‐of‐the‐art optimization algorithms on a benchmark of soil parameter identification in terms of effectiveness, efficiency, and robustness. Then, the efficiency of the MBSA‐LS is further illustrated by two representative cases: identifying soil parameters from both laboratory tests and field measurements. All comparisons demonstrate that the proposed MBSA‐LS algorithm can give accurate results in a short time. Finally, to conveniently solve the problems of parameter identification, a practical tool ErosOpt for parameter identification is developed by integrating the proposed MBSA‐LS and some other efficient algorithms for readers to conduct the parameter identification using optimisation algorithms.
Incentives in Ethereum's hybrid Casper protocol
Authors: Buterin Vitalik , Reijsbergen Daniël , Leonardos Stefanos , Piliouras Georgios
Published: February 2020

We present an overview of hybrid Casper the Friendly Finality Gadget (FFG), a proof‐of‐stake checkpointing protocol overlaid onto Ethereum's proof‐of‐work blockchain. We describe its core functionalities and reward scheme and explore its properties. Our findings indicate that Casper's implemented incentives mechanism ensures liveness, while providing safety guarantees that improve over standard proof‐of‐work protocols. On the basis of a minimal impact implementation of the protocol as a smart contract on the blockchain, we discuss additional issues related to parametrization, funding, throughput, and network overhead and detect potential limitations.
Levels of Circulating miR‐122 are Associated with Weight Loss and Metabolic Syndrome
Authors: Hess Anne Lundby , Larsen Lesli Hingstrup , Udesen Pernille Bækgaard , Sanz Yolanda , Larsen Thomas Meinert , Dalgaard Louise Torp
Published: February 2020

Objective

This study investigated whether the levels of specific serum microRNAs (miRNAs) were altered following diet‐induced weight loss and whether the serum miRNAs differed in the presence of the metabolic syndrome.

Methods

The study was a weight loss intervention trial with a prescribed energy deficit of approximately 500 kcal/d. Levels of 22 miRNAs were determined in serum samples from 85 participants with overweight or obesity. miRNAs were analyzed using TaqMan Array miRNA Cards and normalized to the geometric mean of spiked‐in ath‐miR‐159a and U6 small nuclear RNA using the ΔCT method.

Results

The average weight loss was 5.7 kg (P < 0.001). miR‐122‐5p (−0.18 ± 0.06 log fold relative to initial, P < 0.01) and miR‐193a‐5p (−0.12 ± 0.04, P < 0.01) levels decreased in response to weight loss. miR‐126a‐3p (0.11 ± 0.04, P = 0.01) and miR‐222‐3p (1.51 ± 0.12, P < 0.001) levels increased. Furthermore, a higher level of miR‐122‐5p was observed at baseline in participants with the metabolic syndrome compared with participants without (0.28 ± 0.08, P < 0.01).

Conclusions

Changes in circulating miR‐122‐5p, miR‐126a‐3p, miR‐193a‐5p, and miR‐222‐3p in response to diet‐induced weight loss are demonstrated. Furthermore, assessment of miR‐122‐5p could be an indicator of an adverse metabolic health status independent of obesity.