bluuebunny/crossref_metadata_2025 huggingface dataset:
Cheminformatics Analysis and Modeling with MacrolactoneDB
Authors: Zin Phyo Phyo Kyaw , Williams Gavin J. , Ekins Sean
Published: April 2020

Macrolactones, 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

There 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

Synthetic 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

The 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

To 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

The 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

To 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

We 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

It 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

Periodontitis 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

Transformers 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

Lipid 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

Bulimia 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

In 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

The 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.
Delayed application of silver nanoparticles reveals the role of early inflammation in burn wound healing
Authors: Zhang Kangjun , Lui Vincent C. H. , Chen Yan , Lok Chun Nam , Wong Kenneth K. Y.
Published: April 2020

Burn injury is common, and antimicrobial agents are often applied immediately to prevent wound infection and excessive inflammatory response. Although inflammation is essential for clearing bacteria and creating an environment conducive to the healing process, it is unclear what time-frame inflammation should be present for optimal wound healing. This study critically investigated the role of early inflammation in burn wound healing, and also revealed the molecular mechanisms underlying the pro-healing effects of silver nanoparticles (AgNPs). We created a burn injury mouse model using wild-type andSmad3−/− mice, which were topically treated with AgNPs at different post-burn days, and examined the healing processes of the various groups. We also delineated the molecular pathways underlying the anti-inflammation and pro-healing effects of AgNPs by morphological and histological analysis, immuno-histochemistry, and western blotting. Our results showed that (1) AgNPs regulated pro-inflammatory cytokine IL-6 production of keratinocytes and neutrophils infiltration through KGF-2/p38 signaling pathway, (2) Topical AgNPs treatment immediately after burn injury significantly supressed early inflammation but resulted in delayed healing, (3) A short delay in AgNPs application (post-burn day 3 in our model) allowed early inflammation in a controlled manner, and led to optimal burn wound healing. Thus, our current study showed that some degree of early inflammation was beneficial, but prolonged inflammation was detrimental for burn wound healing. Further evaluation and clinical translation of this finding is warranted.
Long-term high-grain diet alters ruminal pH, fermentation, and epithelial transcriptomes, leading to restored mitochondrial oxidative phosphorylation in Japanese Black cattle
Authors: Ogata Toru , Makino Hiroki , Ishizuka Naoki , Iwamoto Eiji , Masaki Tatsunori , Kizaki Keiichiro , Kim Yo-Han , Sato Shigeru
Published: April 2020

To increase intramuscular fat accumulation, Japanese Black beef cattle are commonly fed a high-grain diet from 10 to 30 months of age. Castrated and fistulated cattle (n = 9) were fed a high-concentrate diets during the early, middle, and late stages consecutively (10–14, 15–22, 23–30 months of age, respectively). Ruminal pH was measured continuously, and rumen epithelium and fluid samples were collected on each stage. The 24-h mean ruminal pH during the late stage was significantly lower than that during the early stage. Total volatile fatty acid (VFA) and lactic acid levels during the late stage were significantly lower and higher, respectively, than those during the early and middle stages. In silico analysis of differentially expressed genes showed that “Oxidative Phosphorylation” was the pathway inhibited most between the middle and early stages in tandem with an inhibited upstream regulator (PPARGC1A, also called PGC-1α) but the most activated pathway between the late and middle stages. These results suggest that mitochondrial dysfunction and thereby impaired cell viability due to acidic irritation under the higher VFA concentration restored stable mitochondrial oxidative phosphorylation and cell viability by higher lactic acid levels used as cellular oxidative fuel under a different underlying mechanism in subacute ruminal acidosis.
Systemic lupus erythematosus gastrointestinal involvement: a computed tomography-based assessment
Authors: Chen Zhiwei , Zhou Jiaxin , Li Jiaoyu , Zhou Yiquan , Wang Xiaodong , Li Ting , Gu Liyang , Sun Fangfang , Wu Wanlong , Xu Wenwen , Sun Shuhui , Chen Jie , Li Jiajie , Lu Liangjing , Zhang Wen , Zhao Yan , Ye Shuang
Published: April 2020

Systemic lupus erythematosus (SLE) gastrointestinal (GI) complication is characterized by multi-segment and multi-compartment involvement. The aim of this study is to develop a computed tomography (CT) image-based system for disease evaluation. SLE patients with GI involvement from two independent cohorts were retrospectively included. Baseline abdominal CT scan with intravenous and oral contrast was obtained from each individual. A CT scoring system incorporating the extent of GI tract involvement and intestinal wall thickness, along with extra-GI compartment involvement, was developed and validated. The outcome measurement was the time to GI functional recovery, defined as the time to tolerable per os (PO) intake ≥50% of ideal calories (PO50). A total of 54 and 37 patients with SLE GI involvement were enrolled in the derivation and validation cohorts, respectively. The CT scores for SLE GI involvement were positively correlated with patients’ time to PO50 (r = 0.57, p < 0.0001, derivation cohort; r = 0.42, p = 0.0093, validation cohort). Patients with a CT score ≤ 3 had a shorter time to PO50 (median time of 0 day) in pooled cohort, whereas those with a CT score > 3 incurred a significantly prolonged recovery with a median time to PO50 of 13 days (p < 0.0001). The CT-based scoring system may facilitate more accurate assessment and individualized management of SLE patients with GI involvement.
Clinical characteristics and outcomes of methamphetamine-associated versus non-methamphetamine intracerebral hemorrhage
Authors: Zhu Zhu , Osman Sahar , Stradling Dana , Shafie Mohammad , Yu Wengui
Published: April 2020

Methamphetamine use has emerged as a risk factor for intracerebral hemorrhage (ICH). We aim to investigate the clinical characteristics and outcomes of methamphetamine-associated ICH (Meth-ICH) versus Non-Meth-ICH. Patients with ICH between January 2011 and December 2017 were studied. Meth-ICH and Non-Meth-ICH were defined by history of abuse and urine drug screen (UDS). The clinical features of the 2 groups were explored. Among the 677 consecutive patients, 61 (9.0%) were identified as Meth-ICH and 350 as Non-Meth ICH. Meth-ICH was more common in Hispanics (14.6%) and Whites (10.1%) as compared to Asians (1.2%). Patients with Meth-ICH were more often younger (51.2 vs. 62.2 years, p < 0.001), male (77.0% vs. 61.4.0%, p < 0.05), and smokers (44.3% vs. 13.4%, p < 0.001). Non-Meth-ICH was more likely to have history of hypertension (72.61% v. 59%, p < 0.05) or antithrombotic use (10.9% vs. 1.6%, p < 0.05). There was no significant difference in clinical severity, hospital length of stay (LOS), rate of functional independence (29.5% vs. 25.7%, p = 0.534), or mortality (18.0% vs. 24.6%, p = 0.267) between the 2 groups. Methamphetamine use was not an independent predictor of poor outcome. Despite difference in demographics, Meth-ICH is similar to Non-Meth ICH in hospital course and outcome.
Cyclovirobuxine D protects against diabetic cardiomyopathy by activating Nrf2-mediated antioxidant responses
Authors: Jiang Zhaohui , Fu Lingyun , Xu Yini , Hu Xiaoxia , Yang Hong , Zhang Yanyan , Luo Hong , Gan Shiquan , Tao Ling , Liang Guiyou , Shen Xiangchun
Published: April 2020

Diabetic cardiomyopathy (DCM) is the principal cause of death in people with diabetes. However, there is currently no effective strategy to prevent the development of DCM. Although cyclovirobuxine D (CVB-D) has been widely used to treat multiple cardiovascular diseases, the possible beneficial effects of CVB-D on DCM remained unknown. The present aim was to explore the potential effects and underlying mechanisms of CVB-D on DCM. We explored the effects of CVB-D in DCM by using high fat high sucrose diet and streptozotocin-induced rat DCM model. Cardiac function and survival in rats with DCM were improved via the amelioration of oxidative damage after CVB-D treatment. Our data also demonstrated that pre-treatment with CVB-D exerted a remarkable cytoprotective effect against high glucose -or H2O2 -induced neonatal rat cardiomyocyte damage via the suppression of reactive oxygen species accumulation and restoration of mitochondrial membrane potential; this effect was associated with promotion of Nrf2 nuclear translocation and its downstream antioxidative stress signals (NQO-1, Prdx1). Overall, the present data has provided the first evidence that CVB-D has potential therapeutic in DCM, mainly by activation of the Nrf2 signalling pathway to suppress oxidative stress. Our findings also have positive implications on the novel promising clinical applications of CVB-D.
Connecting the dots: NOx emissions along a West Siberian natural gas pipeline
Authors: van der A R. J. , de Laat A. T. J. , Ding J. , Eskes H. J.
Published: April 2020

New high quality satellite measurements of nitrogen dioxide (NO2) of the TROPOspheric Monitoring Instrument (TROPOMI) over snow-covered regions of Siberia reveal previously undocumented but significant NO2 emissions associated with the natural gas industry in Western Siberia. Besides gas drilling and natural gas power plants, also gas compressor stations for the transport of natural gas are sources of high amounts of nitrogen oxides (NOx = NO + NO2), which are emitted in otherwise pristine regions. The emissions per station from these remote gas compressor stations are at least an order of magnitude larger than those reported for North American gas compressor stations, possibly related to less stringent environmental regulations in Siberia compared to the United States. This discovery was made possible thanks to a newly developed technique for discriminating snow covered surfaces from clouds, which allows for satellite measurements of tropospheric NO2 columns over large boreal snow-covered areas. While retrievals over snow-covered areas were traditionally filtered out, we used the retrieved column of air in these observations to distinguish clouds higher in the atmosphere from the snow at the surface. This results in 23% more TROPOMI observations on an annual basis. Furthermore, these observations have a precision four times better than nearly any TROPOMI observation over other areas and surfaces around the world. These new results highlight the potential of TROPOMI on Sentinel 5P as well as future satellite missions for monitoring small-scale emissions and emissions at high latitudes.
First principles study of Schottky barriers at Ga2O3(100)/metal interfaces
Authors: Xu Ran , Lin Na , Jia Zhitai , Liu Yueyang , Wang Haoyuan , Yu Yifei , Zhao Xian
Published: April 2020

A low Schottky barrier height (SBH) of metal–semiconductor contact is essential for achieving high performance electronic devices.
A strategy to unlock the potential of CrN as a highly active oxygen reduction reaction catalyst
Authors: Luo Junming , Qiao Xiaochang , Jin Jutao , Tian Xinlong , Fan Hongbo , Yu Demei , Wang Wenlong , Liao Shijun , Yu Neng , Deng Yijie
Published: April 2020

The potential of CrN as highly active ORR catalyst can be unlocked by enhancing its conductivity, enriching its d electrons and enlarging the exposure of active sites.
An intelligent vancomycin release system for preventing surgical site infections of bone tissues
Authors: Li Yuan , Li Guang , Sha Xiaoling , Li Litao , Zhang Kuo , Liu Daohong , Hao Yanfei , Cui Xu , Wang Lei , Wang Hao
Published: April 2020

An intelligent anti-bacterial system can be constructed on implants during surgery.
Potentiation of polycyclic aromatic hydrocarbon uptake in zebrafish embryos by nanoplastics
Authors: Zhang Yueyang , Goss Greg G.
Published: April 2020

The presence of microplastics in the environment and their potential effects on the health of organisms are a subject of great concern.
Three-dimensional graphene oxide cross-linked by benzidine as an efficient metal-free photocatalyst for hydrogen evolution
Authors: Zhou Xin , Cui Shi-Cong , Liu Jin-Gang
Published: April 2020

Three-dimensional graphene oxide covalently linked by benzidine works as an efficient metal-free photocatalyst for H2 evolution.
Vortex fluidic mediated synthesis of polysulfone
Authors: Igder Aghil , Pye Scott , Mohammed Al-Antaki Ahmed Hussein , Keshavarz Alireza , Raston Colin L. , Nosrati Ata
Published: April 2020

Polysulfone (PSF) was prepared under high shear in a vortex fluidic device (VFD) operating in confined mode. This involved reacting the pre-prepared disodium salt of bisphenol A (BPA) with a 4,4′-dihalodiphenylsulfone under anhydrous conditions.
Bubble-propelled micromotors based on hierarchical MnO2 wrapped carbon nanotube aggregates for dynamic removal of pollutants
Authors: Wu Xiukai , Chen Ling , Zheng Chan , Yan Xinxin , Dai Pingqiang , Wang Qianting , Li Wei , Chen Wenzhe
Published: April 2020

Water pollution is currently an urgent public health and environmental issue.
Antioxidant activities of anastatin A & B derivatives and compound 38c's protective effect in a mouse model of CCl4-induced acute liver injury
Authors: Xiang Cen , Cao Menglin , Miao Ai , Gao Feng , Li Xuzhe , Pan Guojun , Zhang Wenqiang , Zhang Yongmin , Yu Peng , Teng Yuou
Published: April 2020

Anastatins B derivative 38c both had good antioxidant activity in vitro and in vivo.
Phase controlled synthesis of bifunctional TiO2 nanocrystallites viad-mannitol for dye-sensitized solar cells and heterogeneous catalysis
Authors: Al-Enizi Abdullah M. , Siddiqui T. A. J. , Shaikh Shoyebmohamad F. , Ubaidullah Mohd , Yousef Ayman , Mane Rajaram S. , Rana Abu ul Hassan Sarwar
Published: April 2020

The crystal architecture of TiO2 was successfully tailored via a low-temperature (≤200 °C) hydrothermal process in the presence of d-mannitol for feasible applications in dye-sensitized solar cells (DSSCs) and heterogeneous catalysis.
Thermal decomposition and diffusion of methane in clathrate hydrates from quantum mechanics simulations
Authors: Guo Dezhou , Wang Hongwei , Shen Yidi , An Qi
Published: April 2020

Methane decomposition initiates from water fragment attack and methane hydrates could be stabilized by adding free electron or hole carriers.
Theoretical and experimental investigations on the bulk photovoltaic effect in lead-free perovskites MASnI3 and FASnI3
Authors: Peng Liping , Xie Wei
Published: April 2020

Perovskite solar cells based on the lead free hybrid organic–inorganic CH3NH3SnI3 (MASnI3) and CH4N2SnI3 (FASnI3) perovskites were fabricated, and the photoelectric conversion efficiency (PCE) was assessed.
Direct and quantitative monitoring of catalytic organic reactions under heterogeneous conditions using direct analysis in real time mass spectrometry
Authors: Masuda Koichiro , Kobayashi Shū
Published: April 2020

A direct and quantitative method for monitoring heterogeneous organic reactions has been developed by using direct analysis in real time mass spectrometry (DART-MS) with an isotope-labeled reaction product as an internal standard.
Metal-free carbon monoxide-releasing micelles undergo tandem photochemical reactions for cutaneous wound healing
Authors: Cheng Jian , Zheng Bin , Cheng Sheng , Zhang Guoying , Hu Jinming
Published: April 2020

Metal-free carbon monoxide-releasing polymers (CORPs) are synthesized via a direct polymerization approach, exhibiting not only improved stability but also accelerated wound healing performance as compared to CORM-3.
Surface-enhanced Raman spectroscopy: benefits, trade-offs and future developments
Authors: Pérez-Jiménez Ana Isabel , Lyu Danya , Lu Zhixuan , Liu Guokun , Ren Bin
Published: April 2020

Surface-enhanced Raman spectroscopy (SERS) is a vibrational spectroscopy technique with sensitivity down to the single molecule level that provides fine molecular fingerprints, allowing for direct identification of target analytes.
Biocatalytic reversible control of the stiffness of DNA-modified responsive hydrogels: applications in shape-memory, self-healing and autonomous controlled release of insulin
Authors: Wang Chen , Fischer Amit , Ehrlich Avner , Nahmias Yaakov , Willner Itamar
Published: April 2020

Biocatalytic control over the stiffness of pH-responsive hydrogels is applied to develop shape-memory, self-healing and controlled release matrices.
Sequential C–O decarboxylative vinylation/C–H arylation of cyclic oxalates via a nickel-catalyzed multicomponent radical cascade
Authors: Li Huan , Guo Lei , Feng Xiaoliang , Huo Liping , Zhu Shengqing , Chu Lingling
Published: April 2020

A selective, sequential C–O decarboxylative vinylation/C–H arylation of cyclic alcohol derivatives enabled by visible-light photoredox/nickel dual catalysis has been described.
Self-assembled bulk heterojunctions from integral molecules with nonconjugately linked donor and acceptor units for photovoltaic applications
Authors: Liu Hao , Gao Huaizhi , Lin Jun , Hayat Tasawar , Alsaedi Ahmed , Tan Zhan'ao
Published: April 2020

Donor–acceptor integral molecules with donor and acceptor units interlinked by nonconjugated flexible linking units can self-assemble into an ideal bulk heterojunction structure for application in highly efficient polymer solar cells are reviewed.
A highly oriented conductive MOF thin film-based Schottky diode for self-powered light and gas detection
Authors: Cao Lin-An , Yao Ming-Shui , Jiang Hui-Jie , Kitagawa Susumu , Ye Xiao-Liang , Li Wen-Hua , Xu Gang
Published: April 2020

High-quality EC-MOF thin films are used to modulate the Schottky barrier height and detect light/gas by self-powered mode.
Enhancing the operational stability of unencapsulated perovskite solar cells through Cu–Ag bilayer electrode incorporation
Authors: Lin Chieh-Ting , Ngiam Jonathan , Xu Bob , Chang Yu-Han , Du Tian , Macdonald Thomas J. , Durrant James R. , McLachlan Martyn A.
Published: April 2020

Incorporation of bilayer electrodes (Cu:Ag) significantly reduces electrode corrosion and device degradation in perovskite solar cells operating in air. A symbiosis exists whereby Ag inhibits Cu oxidation and Cu prevents interfacial reactions between the perovskite (MAPbI3) and Ag.
A series of highly stable porphyrinic metal–organic frameworks based on iron–oxo chain clusters: design, synthesis and biomimetic catalysis
Authors: Liu Gang , Cui Hao , Wang Sujuan , Zhang Li , Su Cheng-Yong
Published: April 2020

A facile synthesis of a series of Fe–oxo chain-based porphyrinic MOFs (namely M-PMOF-3(Fe), M = Fe, Co, Ni, Cu) has been reported.
PCE11-based polymer solar cells with high efficiency over 13% achieved by room-temperature processing
Authors: Zhang Jianyun , Liu Wenrui , Zhang Ming , Xu Shengjie , Liu Feng , Zhu Xiaozhang
Published: April 2020

Non-fullerene acceptors featuring excellent miscibility with temperature-dependent aggregation polymer PCE11 enable room-temperature processed polymer solar cells with high efficiency over 13%.
Metal–organic framework derived copper catalysts for CO2 to ethylene conversion
Authors: Yao Kaili , Xia Yujian , Li Jun , Wang Ning , Han Jingrui , Gao Congcong , Han Mei , Shen Guoqiang , Liu Yongchang , Seifitokaldani Ali , Sun Xuhui , Liang Hongyan
Published: April 2020

MOF-derived copper catalysts underwent a surface reconstruction to form a Cu@CuxO core@shell structure during CO2RR process, which was beneficial for CO2 to C2H4 conversion, resulting in a 51% FE for C2H4 and 70% FE for C2+ products.
An in-depth study on the thermodynamics and kinetics of disproportionation behavior in ZrCo–H systems
Authors: Yao Zhendong , Xiao Xuezhang , Liang Zhaoqing , Huang Xu , Kou Huaqin , Luo Wenhua , Chen Changan , Chen Lixin
Published: April 2020

Thermodynamic relationships among dehydrogenation, hydriding disproportionation and dehydriding disproportionation reactions in ZrCo–H system.
Ni-nanoparticle-bound boron nitride nanosheets prepared by a radiation-induced reduction-exfoliation method and their catalytic performance
Authors: Jiang Zhiwen , Zhu Wengang , Xu Guoqing , Xu Xiangjianfei , Wang Mozhen , Chen Hongbing , Huang Wei , Ge Xuewu , Lin Mingzhang
Published: April 2020

Ni-nanoparticles-bound BNNS with special catalytic property can be one-step fabricated by “a novel radiation-induced reduction-exfoliation” method,i.e., Ni2+-intercalated h-BN crystals can be exfoliated in alcohol/water medium under γ-ray radiation.
A waterborne polyurethane 3D scaffold containing PLGA with a controllable degradation rate and an anti-inflammatory effect for potential applications in neural tissue repair
Authors: Du Bohong , Yin Hang , Chen Yue , Lin Weiwei , Wang Yanchao , Zhao Daiguo , Wang Gang , He Xueling , Li Jiehua , Li Zhen , Luo Feng , Tan Hong , Fu Qiang
Published: April 2020

3D connected porous LGPU scaffolds with adjustable degradation and a strong anti-inflammatory effect were prepared for neural tissue repair.
Mechanical-tuning of the cooperativity of SC particles via the matrix crystallization and related size effects
Authors: Laisney Jérôme , Morineau Denis , Enachescu Cristian , Tanasa Radu , Rivière Eric , Guillot Régis , Boillot Marie-Laure
Published: April 2020

The transition temperature (T1/2), the cooperativity and bistability of a composite incorporating spin-crossover (SC) particles were mechanically tuned through the crystallizations of the embedding matrix (Tc).
σ–π and p–π conjugation induced NIR-emitting iridium(iii) complexes anchored by flexible side chains in a rigid dibenzo[a,c]phenazine moiety and their application in highly efficient solution-processable NIR-emitting devices
Authors: You Caifa , Liu Denghui , Zhu Mengbing , Yu Junting , Zhang Bin , Liu Yu , Wang Yafei , Zhu Weiguo
Published: April 2020

The σ–π and p–π conjugation effects of Ir(iii) complexes are systematically investigated by simply adjusting the flexible side chains.
High-efficiency blue photoluminescence in the Cs2NaInCl6:Sb3+ double perovskite phosphor
Authors: Gray Matthew B. , Hariyani Shruti , Strom T. Amanda , Majher Jackson D. , Brgoch Jakoah , Woodward Patrick M.
Published: April 2020

The halide double perovskite Cs2NaInCl6 doped with Sb3+ is shown to be a promising blue phosphor.
Mean plane of the Kuiper belt beyond 50 AU in the presence of Planet 9
Authors: Li Jian , Jeff Xia Zhihong
Published: April 2020

Context. A recent observational census of Kuiper belt objects (KBOs) has unveiled anomalous orbital structures. This has led to the hypothesis that an additional ∼5 − 10 m⊕ planet exists. This planet, known as Planet 9, occupies an eccentric and inclined orbit at hundreds of astronomical units. However, the KBOs under consideration have the largest known semimajor axes at a >  250 AU; thus they are very difficult to detect.

Aims. In the context of the proposed Planet 9, we aim to measure the mean plane of the Kuiper belt at a >  50 AU. In a comparison of the expected and observed mean planes, some constraints would be put on the mass and orbit of this undiscovered planet.

Methods. We adopted and developed the theoretical approach of Volk & Malhotra (2017, AJ, 154, 62) to the relative angle δ between the expected mean plane of the Kuiper belt and the invariable plane determined by the eight known planets. Numerical simulations were constructed to validate our theoretical approach. Then similar to Volk & Malhotra (2017, AJ, 154, 62), we derived the angle δ for the real observed KBOs with 100 <  a <  200 AU, and the measurement uncertainties were also estimated. Finally, for comparison, maps of the theoretically expected δ were created for different combinations of possible Planet 9 parameters.

Results. The expected mean plane of the Kuiper belt nearly coincides with the said invariable plane interior to a = 90 AU. But these two planes deviate noticeably from each other at a >  100 AU owing to the presence of Planet 9 because the relative angle δ could be as large as ∼10°. Using the 1σ upper limit of δ <  5° deduced from real KBO samples as a constraint, we present the most probable parameters of Planet 9: for mass m9 = 10 m⊕, orbits with inclinations i9 = 30°, 20°, and 15° should have semimajor axes a9 >  530 AU, 450 AU, and 400 AU, respectively; for m9 = 5 m⊕, the orbit is i9 = 30° and a9 >  440 AU, or i9 <  20° and a9 >  400 AU. In this work, the minimum a9 increases with the eccentricity e9 (∈[0.2, 0.6]) but not significantly.
Weiterbildung in der Physikalischen und Rehabilitativen Medizin
Authors: Liebl Max
Published: April 2020

Liebe Leserinnen, liebe Leser,

seit einigen Jahren begleitet uns nun schon die Novellierung der (Muster-)Weiterbildungsordnung. Die Arbeitsgruppe WBO, die von der DGPRM und dem BVPRM gemeinsam gebildet wurde, konnte vieles an der jetzigen Fassung der Weiterbildungsordnung für unser Fachgebiet Physikalische und Rehabilitative Medizin gestalten. So gelang eine Aktualisierung sowie eine Konkretisierung der in der Weiterbildung zu vermittelnden Kompetenzen, um den zukünftigen PRM-Arzt an ein modernes Profil des Fachgebietes anzupassen und fachlich fundiert aufzustellen.