bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cheminformatics Analysis and Modeling with MacrolactoneDB
Authors: Zin Phyo Phyo Kyaw , Williams Gavin J. , Ekins Sean 
Published: April 2020

AbstractMacrolactones, macrocyclic lactones with at least twelve atoms within the core ring, include diverse natural products such as macrolides with potent bioactivities (e.g. antibiotics) and useful drug-like characteristics. We have developed MacrolactoneDB, which integrates nearly 14,000 existing macrolactones and their bioactivity information from different public databases, and new molecular descriptors to better characterize macrolide structures. The chemical distribution of MacrolactoneDB was analyzed in terms of important molecular properties and we have utilized three targets of interest (Plasmodium falciparum, Hepatitis C virus and T-cells) to demonstrate the value of compiling this data. Regression machine learning models were generated to predict biological endpoints using seven molecular descriptor sets and eight machine learning algorithms. Our results show that merging descriptors yields the best predictive power with Random Forest models, often boosted by consensus or hybrid modeling approaches. Our study provides cheminformatics insights into this privileged, underexplored structural class of compounds with high therapeutic potential.
Effects of orthotopic implantation of rat prostate tumour cells upon components of the N-acylethanolamine and monoacylglycerol signalling systems: an mRNA study
Authors: Alhouayek Mireille , Stafberg Linda , Karlsson Jessica , Bergström Sofia Halin , Fowler Christopher J. 
Published: April 2020

AbstractThere is good evidence that theN-acylethanolamine (NAE)/monoacylglycerol (MAG) signalling systems are involved in the pathogenesis of cancer. However, it is not known how prostate tumours affect these systems in the surrounding non-malignant tissue andvice versa. In the present study we have investigated at the mRNA level 11 components of these systems (three coding for anabolic enzymes, two for NAE/MAG targets and six coding for catabolic enzymes) in rat prostate tissue following orthotopic injection of low metastatic AT1 cells and high metastatic MLL cells. The MLL tumours expressed higher levels ofNapepld, coding for a key enzyme in NAE synthesis, and lower levels ofNaaa, coding for the NAE hydrolytic enzymeN-acylethanolamine acid amide hydrolase than the AT1 tumours. mRNA levels of the components of the NAE/MAG signalling systems studied in the tissue surrounding the tumours were not overtly affected by the tumours. AT1 cells in culture expressedFaah, coding for the NAE hydrolytic enzyme fatty acid amide hydrolase, at much lower levels thanNaaa. However, the ability of the intact cells to hydrolyse the NAE arachidonoylethanolamide (anandamide) was inhibited by an inhibitor of FAAH, but not of NAAA. Treatment of the AT1 cells with interleukin-6, a cytokine known to be involved in the pathogenesis of prostate cancer, did not affect the expression of the components of the NAE/MAG system studied. It is thus concluded that in the model system studied, the tumours show different expressions of mRNA coding for key the components of the NAE/MAG system compared to the host tissue, but that these changes are not accompanied by alterations in the non-malignant tissue.
Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4
Authors: Wang Ching-Pao , Shieh Sean R. , Withers Anthony C. , Liu Xi , Zhang Dongzhou , Tkachev Sergey N. , Djirar Abd-Erraouf , Xie Tianqi , Rumney Justin D. 
Published: April 2020

AbstractSynthetic Mg2TiO4 qandilite was investigated to 50 and 40.4 GPa at room temperature using Raman spectroscopy and X-ray diffraction, respectively. The Raman measurements showed that cubic Mg2TiO4 spinel transforms to a high pressure tetragonal (I41/amd, No.141) phase at 14.7 GPa. Owing to sluggish kinetics at room temperature, the spinel phase coexists with the tetragonal phase between 14.7 and 24.3 GPa. In the X-ray diffraction experiment, transformation of the cubic Mg2TiO4 to the tetragonal structure was complete by 29.2 GPa, ~5 GPa higher than the transition pressure obtained by Raman measurements, owing to slow kinetics. The obtained isothermal bulk modulus of Mg2TiO4 spinel is KT0 = 148(3) GPa when KT0’ = 6.6, or KT0 = 166(1) GPa when KT0’ is fixed at 4. The isothermal bulk modulus of the high-pressure tetragonal phase is calculated to be 209(2) GPa and V0 = 270(2) Å3 when KT0’ is fixed at 4, and the volume reduction on change from cubic to tetragonal phase is about 9%. The calculated thermal Grüneisen parameters (γth) of cubic and tetragonal Mg2TiO4 phases are 1.01 and 0.63. Based on the radii ratio of spinel cations, a simple model is proposed to predict post-spinel structures.
Spirulina platensis prevents oxidative stress and inflammation promoted by strength training in rats: dose-response relation study
Authors: Brito Aline de Freitas , Silva Alexandre Sérgio , de Oliveira Caio Victor Coutinho , de Souza Alesandra Araújo , Ferreira Paula Benvindo , de Souza Iara Leão Luna , da Cunha Araujo Layanne Cabral , da Silva Félix Gustavo , de Souza Sampaio Renata , Tavares Renata Leite , de Andrade Pereira Reabias , Neto Manoel Miranda , da Silva Bagnólia Araújo 
Published: April 2020

AbstractThe purpose of this study was to evaluate the effects of Spirulina Platensis supplementation on selected blood markers of oxidative stress, muscle damage, inflammation, and performance in trained rats. Rats (250 g - 300 g) were submitted to a strength training program (eight weeks), divided into four groups: control (GT) (trained without supplementation), trained with daily-supplementation of 50 mg/kg (GT50), 150 mg/kg (GT150) and 500 mg/kg (GT500). Training consisted of a jump protocol in PVC-cylinder containing water, with increasing load over experimental weeks. We evaluated the markers of oxidative stress (malondialdehyde - MDA and antioxidant capacity) and inflammation (C-reactive protein) at the end of the training. Among groups submitted to strength training, concentration of C-reactive protein decreased after 8 weeks of intervention in the trained group and GT500. Strength training enhanced plasma MDA concentration of malondialdehyde with supplementation of S. platensis in GT150 and GT500. In plasma analysis, strength training enhanced the percentage of oxidation inhibition, with spirulina supplementation in rates of 150 and 500 mg/kg. Spirulina supplementation for 8 weeks (in a dose-effect manner) improved antioxidant capacity as well as attenuated exercise-induced increases in ROS and inflammation. As a practical application, the use as high doses did not cause a reduction in positive physiological adaptations to exercise training. Additional studies are necessary to test the application of Spirulina Platensis in other contexts, as collective sports (basketball, football, soccer).
Involvement of autotaxin in the pathophysiology of elevated intraocular pressure in Posner-Schlossman syndrome
Authors: Igarashi Nozomi , Honjo Megumi , Yamagishi Reiko , Kurano Makoto , Yatomi Yutaka , Igarashi Koji , Kaburaki Toshikatsu , Aihara Makoto 
Published: April 2020

AbstractTo examine whether autotaxin (ATX) in the aqueous humor causes elevated intraocular pressure (IOP) in patients with Posner-Schlossman syndrome (PSS). ATX and transforming growth factor beta (TGF-β) in the aqueous humor were quantified in PSS patients. The expression of ATX and TGF-β in cytomegalovirus (CMV)-infected-human trabecular meshwork (hTM) cells was examined. Biological changes in hTM cells and monkey Schlemm’s canal endothelial (SCE) cells cultured in the conditioned medium of CMV-infected hTM cells were analyzed. The expression of ATX and TGF-β1 was upregulated in the aqueous humor of CMV-positive PSS patients, and the level of ATX in the aqueous humor was positively correlated with IOP. CMV infection upregulated ATX and TGF-β1 in hTM cells. The conditioned medium induced fibrotic changes in hTM cells and reduced SCE permeability, which was attenuated by an ATX inhibitor, a lysophosphatidic acid receptor antagonist, and a Rho kinase inhibitor. ATX in the aqueous humor induced by CMV infection may trigger elevated IOP. Modulating ATX activity may be a novel treatment modality for PSS.
Cognitive and physical impairment and the risk of stroke – A prospective cohort study
Authors: Heshmatollah A. , Mutlu U. , Koudstaal P. J. , Ikram M. A. , Ikram M. K. 
Published: April 2020

AbstractThe manifestation of cognitive and physical impairment in stroke patients before the acute event suggests accumulating subclinical vascular pathology in the brain. We investigated whether impairments in cognitive and physical functioning were associated with an increased stroke risk. Between 2002 and 2008, 8,519 stroke-free non-demented participants from the population-based Rotterdam Study underwent cognition and physical assessments including Mini-Mental State Examination, 15-word learning test, Stroop test, letter-digit substitution test, verbal fluency test, Purdue pegboard test and questionnaires on basic and instrumental activities of daily living (BADL; IADL). Principal component analysis was used to derive global cognition (G-factor). Incident stroke was assessed through continuous monitoring of medical records until 2016. Among 8,519 persons (mean age 66.0 years; 57.8% women), 489 suffered a stroke during mean follow-up of 8.7 years (SD: 2.9). Worse G-factor was associated with higher stroke risk (Hazard Ratio 1.21, 95% CI: 1.06–1.38), largely driven by unspecified stroke. Likewise, worse scores on 15-word learning test, Stroop test, Purdue pegboard test, IADL, and BADL were associated with higher risk of stroke. Thus both worse cognitive and physical functioning were associated with a higher stroke risk, in particular unspecified stroke and persons with worse memory, information processing, executive function, and motor function.
FeCoSe2 Nanoparticles Embedded in g-C3N4: A Highly Active and Stable bifunctional electrocatalyst for overall water splitting
Authors: Zulqarnain Muhammad , Shah Afzal , Khan Muhammad Abdullah , Jan Iftikhar Faiza , Nisar Jan 
Published: April 2020

AbstractTo investigate cost affordable and robust HER and OER catalysts with significant low overpotentials, we have successfully embedded FeCoSe2 spheres on smooth surfaces of graphitic carbon nitride that demonstrated high stability and electrocatalytic activity for H2 production. We systematically analyzed the composition and morphology of FexCo1−xSe2/g-C3N4 and attributed the remarkable electrochemical performance of the catalyst to its unique structure. Fe0.2Co0.8Se2/g-C3N4 showed a superior HER activity, with quite low overpotential value (83 mV at −20 mA cm−2 in 0.5 M H2SO4) and a current density of −3.24, −7.84, −14.80, −30.12 mA cm−2 at 0 V (vs RHE) in Dulbecco’s Phosphate-Buffered Saline (DPBS), artificial sea water (ASW), 0.5 M H2SO4 and 1 M KOH, respectively. To the best of our knowledge, these are the highest reported current densities at this low potential value, showing intrinsic catalytic activity of the synthesized material. Also, the catalyst was found to deliver a high and stable current density of −1000 mA cm−2 at an overpotential of just 317 mV. Moreover, the synthesized catalyst delivered a constant current density of −30 mA cm−2 for 24 h without any noticeable change in potential at −0.2 V. These attributes confer our synthesized catalyst to be used for renewable fuel production and applications.
Broadband, wide-angle antireflection in GaAs through surface nano-structuring for solar cell applications
Authors: Behera Saraswati , Fry Paul W. , Francis Henry , Jin Chao-Yuan , Hopkinson Mark 
Published: April 2020

AbstractWe demonstrate broadband and wide-angle antireflective surface nanostructuring in GaAs semiconductors using variable dose electron-beam lithography (EBL). Various designed structures are written with EBL on a positive EB-resist coated GaAs and developed followed by shallow inductively coupled plasma etching. An optimized nanostructured surface shows a reduced surface reflectivity down to less than 2.5% in the visible range of 450–700 nm and an average reflectance of less than 4% over a broad near-infrared wavelength range from 900–1400 nm. The results are obtained over a wide incidence angle of 33.3°. This study shows the potential for anti-reflective structures using a simpler reverse EBL process which can provide optical absorption or extraction efficiency enhancement in semiconductors relevant to improved performance in solar photovoltaics or light-emitting diodes.
Inconsistent effects of stochastic resonance on human auditory processing
Authors: Rufener Katharina S. , Kauk Julian , Ruhnau Philipp , Repplinger Stefan , Heil Peter , Zaehle Tino 
Published: April 2020

AbstractIt has been demonstrated that, while otherwise detrimental, noise can improve sensory perception under optimal conditions. The mechanism underlying this improvement is stochastic resonance. An inverted U-shaped relationship between noise level and task performance is considered as the signature of stochastic resonance. Previous studies have proposed the existence of stochastic resonance also in the human auditory system. However, the reported beneficial effects of noise are small, based on a small sample, and do not confirm the proposed inverted U-shaped function. Here, we investigated in two separate studies whether stochastic resonance may be present in the human auditory system by applying noise of different levels, either acoustically or electrically via transcranial random noise stimulation, while participants had to detect acoustic stimuli adjusted to their individual hearing threshold. We find no evidence for behaviorally relevant effects of stochastic resonance. Although detection rate for near-threshold acoustic stimuli appears to vary in an inverted U-shaped manner for some subjects, it varies in a U-shaped manner or in other manners for other subjects. Our results show that subjects do not benefit from noise, irrespective of its modality. In conclusion, our results question the existence of stochastic resonance in the human auditory system.
Rosuvastatin Prevents the Exacerbation of Atherosclerosis in Ligature-Induced Periodontal Disease Mouse Model
Authors: Suh Jin Sook , Lee Sung Hee , Fouladian Zachary , Lee Jae Young , Kim Terresa , Kang Mo K. , Lusis Aldons J. , Boström Kristina I. , Kim Reuben H. , Park No-Hee 
Published: April 2020

AbstractPeriodontitis is a local and systemic inflammatory condition and a risk factor of atherosclerosis, but no studies investigated the effect of a statin on atherogenesis affected by severe periodontitis. In this study, we investigated the effect of rosuvastatin (RSV) on atherogenesis in Apolipoprotein E-deficient mice receiving silk ligature placement around the maxillary second molars. Mice with the ligature placement developed severe periodontitis and vascular inflammation. RSV significantly inhibited the development of periodontitis and vascular inflammation and remarkably blocked the increased lipid deposition and the atherogenic gene expression in the arterial wall and aortic sinus induced by severe periodontitis. To understand the mechanistic effect of RSV on periodontitis-associated atherogenesis, we investigated the in vitro effect of RSV on various effect of TNF-α, a major proinflammatory cytokine for periodontitis and atherogenesis. We found that RSV notably inhibited the TNF-α-induced osteoclast formation, endothelial cell phenotypic changes, foam cell formation, and the expression of CD47 and other oncogenes in arterial smooth muscle cells. Taken together, our study indicates that RSV prevents the exacerbation of atherosclerosis induced periodontitis by inhibiting local, systemic and vascular inflammation, as well as the expression of CD47 from arterial smooth muscle cells in mice.
Risk of Fire and Explosion in Electrical Substations Due to the Formation of Flammable Mixtures
Authors: El-Harbawi Mohanad , Al-Mubaddel Fahad 
Published: April 2020

AbstractTransformers reduce the voltage from overhead powerlines to voltages acceptable for city/neighbourhood needs. Overheating of transformer cooling fluids presents a serious hazard. In this work, the risk of fires and explosions due to vaporisation of the hydrocarbon components of mineral oil, which is used as a transformer cooling fluid in electrical substations, was investigated. The compositions of new and used mineral oil from an electrical substation in Riyadh were analysed using gas chromatography–mass spectrometry, and C6 to C41 hydrocarbons were detected. The majority of the components were alkanes, alkenes, or alkynes; some ketone, alcohol, aromatic, and anhydride species were also detected. Approximately 25% of the compounds comprising the new oil sample were alkanes, whereas more than 33% of the used oil sample components were alkanes. The lower and upper flammability limits (LFL and UFL) of the mixtures were found to be 0.88 and 5.75 vol.% for the new oil and 0.47 and 3.05 vol.% for the used oil, respectively. These values were used to construct a flammability diagram. The results indicated that the new and used oil vapour mixtures were not flammable at 25 °C and 1 atm, but would become flammable at 77 and 115 °C.
Fluorescence anisotropy assays for high throughput screening of compounds binding to lipid II, PBP1b, FtsW and MurJ
Authors: Boes Adrien , Olatunji Samir , Mohammadi Tamimount , Breukink Eefjan , Terrak Mohammed 
Published: April 2020

AbstractLipid II precursor and its processing by a flippase and peptidoglycan polymerases are considered key hot spot targets for antibiotics. We have developed a fluorescent anisotropy (FA) assay using a unique and versatile probe (fluorescent lipid II) and monitored direct binding between lipid II and interacting proteins (PBP1b, FtsW and MurJ), as well as between lipid II and interacting antibiotics (vancomycin, nisin, ramoplanin and a small molecule). Competition experiments performed using unlabelled lipid II, four lipid II-binding antibiotics and moenomycin demonstrate that the assay can detect compounds interacting with lipid II or the proteins. These results provide a proof-of-concept for the use of this assay in a high-throughput screening of compounds against all these targets. In addition, the assay constitutes a powerful tool in the study of the mode of action of compounds that interfere with these processes. Interestingly, FA assay with lipid II probe has the advantage over moenomycin based probe to potentially identify compounds that interfere with both donor and acceptor sites of the aPBPs GTase as well as compounds that bind to lipid II. In addition, this assay would allow the screening of compounds against SEDS proteins and MurJ which do not interact with moenomycin.
Metabotropic glutamate receptor 5 in bulimia nervosa
Authors: Mihov Yoan , Treyer Valerie , Akkus Funda , Toman Erika , Milos Gabriella , Ametamey Simon M. , Johayem Anass , Hasler Gregor 
Published: April 2020

AbstractBulimia nervosa (BN) shares central features with substance-related and addictive disorders. The metabotropic glutamate receptor subtype 5 (mGlu5) plays an important role in addiction. Based on similarities between binge eating and substance-related and addictive disorders, we investigated mGlu5 in vivo in 15 female subjects with BN and 15 matched controls. We measured mGlu5 distribution volume ratio (DVR) with positron emission tomography (PET) using [11 C]ABP688. In BN mGlu5 DVR was higher in the anterior cingulate cortex (ACC), subgenual prefrontal cortex, and straight gyrus (p < 0.05). In BN, higher mGlu5 DVR in various brain regions, including ACC, pallidum, putamen, and caudate, positively correlated with “maturity fears” as assessed using the Eating Disorder Inventory-2 (p < 0.05). In BN and controls, smokers had globally decreased mGlu5 DVR. We present the first evidence for increased mGlu5 DVR in BN. Our findings suggest that pharmacological agents inhibiting mGlu5 might have a therapeutic potential in BN.
Tomatidine, a natural steroidal alkaloid shows antiviral activity towards chikungunya virus in vitro
Authors: Troost Berit , Mulder Lianne M. , Diosa-Toro Mayra , van de Pol Denise , Rodenhuis-Zybert Izabela A. , Smit Jolanda M. 
Published: April 2020

AbstractIn recent decades, chikungunya virus (CHIKV) has re-emerged, leading to outbreaks of chikungunya fever in Africa, Asia and Central and South America. The disease is characterized by a rapid onset febrile illness with (poly)arthralgia, myalgia, rashes, headaches and nausea. In 30 to 40% of the cases, CHIKV infection causes persistent (poly)arthralgia, lasting for months or even years after initial infection. Despite the drastic re-emergence and clinical impact there is no vaccine nor antiviral compound available to prevent or control CHIKV infection. Here, we evaluated the antiviral potential of tomatidine towards CHIKV infection. We demonstrate that tomatidine potently inhibits virus particle production of multiple CHIKV strains. Time-of -addition experiments in Huh7 cells revealed that tomatidine acts at a post-entry step of the virus replication cycle. Furthermore, a marked decrease in the number of CHIKV-infected cells was seen, suggesting that tomatidine predominantly acts early in infection yet after virus attachment and cell entry. Antiviral activity was still detected at 24 hours post-infection, indicating that tomatidine controls multiple rounds of CHIKV replication. Solasodine and sarsasapogenin, two structural derivatives of tomatidine, also showed strong albeit less potent antiviral activity towards CHIKV. In conclusion, this study identifies tomatidine as a novel compound to combat CHIKV infection in vitro.
Habitat provided by native species facilitates higher abundances of an invader in its introduced compared to native range
Authors: Gribben Paul E. , Poore Alistair G. B. , Thomsen Mads S. , Quesey Phoebe , Weschke Emma , Wright Jeffrey T. 
Published: April 2020

AbstractThe impacts invasive species have on biodiversity and ecosystem function globally have been linked to the higher abundances they often obtain in their introduced compared to native ranges. Higher abundances of invaders in the introduced range are often explained by a reduction in negative species interactions in that range, although results are equivocal. The role of positive interactions in explaining differences in the abundance of invaders between native and invasive ranges has not been tested. Using biogeographic surveys, we showed that the rocky shore porcelain crab, Petrolisthes elongatus, was ~4 times more abundant in its introduced (Tasmania, Australia) compared to its native (New Zealand) range. The habitat of these crabs in the invaded range (underside of intertidal boulders) was extensively covered with the habitat-forming tubeworm Galeolaria caespitosa. We tested whether the habitat provided by the tubeworm facilitates a higher abundance of the invasive crab by creating mimics of boulders with and without the tubeworm physical structure and measured crab colonisation into these habitats at three sites in both Tasmania and New Zealand. Adding the tubeworm structure increased crab abundance by an average of 85% across all sites in both ranges. Our intercontinental biogeographic survey and experiment demonstrate that native species can facilitate invader abundance and that positive interactions can be important drivers of invasion success.