bluuebunny/crossref_metadata_2025 huggingface dataset:
Physiochemical characteristics: A robust tool to overcome teeth heterogeneity on predicting laser ablation profile
Authors: Loganathan Sarathkumar , Santhanakrishnan Soundarapandian , Bathe Ravi , Arunachalam Muthukumaraswamy
Published: September 2020

To avoid excessive tissue removal and collateral damage, the high‐power density laser is apt for dental surgery also need to have high precision. For high‐precision dental surgery with minimal tissue damage, the present work frames a method to predict laser ablation profile based on surface morphology and chemical composition of dentin. The surface morphology and chemical composition were studied on different dentin samples using scanning electron microscope (SEM) and Energy Dispersive X‐ray Analysis (EDAX), respectively. The key laser ablation parameters (ω0, Deff, and Fth) were determined by laser irradiation study using 800 nm, Ti:Sapphire femtosecond laser at processing condition of 100 fs, 10 kHz and 10 mm/s. The dentin samples show a strong linear correlation between physiochemical characteristics and laser ablation parameters. The surface morphology exhibits a negative linear correlation with threshold fluence, whereas the converse is true for chemical composition. The laser ablation parameters of a random dentin sample are derived from the knowledge of linearity data. From the obtained laser ablation parameters, the complete theoretical ablation profile is constructed and validated with experimental ablation profile. Even though the surface morphology of dentin shows high linearity, the concentration of Ca and P can be used as the most feasible probe in clinical settings. Furthermore, the laser ablation rate and ablation efficiency are predicted by the method to optimize the laser processing condition for any specific teeth. The versatility of the method overcomes the problem of heterogeneity on various teeth and simplifies the method of finding optimal laser processing condition for immaculate laser surgery.
Neuroactivity of naturally occurring proaporphine alkaloid, pronuciferine
Authors: Bayazeid Omer , Nemutlu Emirhan , Eylem Cemil C. , Yalçın Funda N.
Published: September 2020

Pronuciferine is a naturally occurring proaporphine alkaloid that belongs to isoquinoline alkaloids. The aim of this study is to investigate the neuroactivity of pronuciferine. We assessed the neuroprotective effect of pronuciferine against hydrogen peroxide (H2O2)‐induced apoptosis in human neuronal SH‐SY5Y cells. In addition, we measured the effect of pronuciferine on cell metabolites and brain‐derived neurotrophic factor (BDNF) level in SH‐SY5Y cells. In vitro result shows that pronuciferine at 10 µM significantly (P < .001) increased the proliferation of SH‐SY5Y by 45%, and upon H2O2 addition, pronuciferine significantly (P < .001) suppressed neuronal death caused by H2O2. Gas Chromatography‐Mass Spectrometry (GC‐MS) metabolomics study revealed that pronuciferine has a high impact on glycine‐serine‐threonine pathway by changing the intracellular level of serine dimethylglycine, sarcosine, and threonine. Also, pronuciferine increased the intercellular level of aspartic acid, glutamine, and tryptophan. Additionally, pronuciferine significantly (P < .05) increased the intracellular BDNF protein expression at 10 µM. Therefore, pronuciferine is a neuroactive molecule that might act as a neuroprotective agent to prevent apoptosis in neurodegenerative diseases.
DFT‐D4 counterparts of leading meta‐generalized‐gradient approximation and hybrid density functionals for energetics and geometries
Authors: Najibi Asim , Goerigk Lars
Published: September 2020

Previously, we introduced DFT‐D3(BJ)ωB97X‐V and ωB97M‐V functionals and assessed them for the GMTKN55 database [Najibi and Goerigk, J Chem. Theory Comput. 2018, 14, 5725]. In this study, we present DFT‐D4 damping parameters to build the DFT‐D4 counterparts of these functionals and assess these in comparison. We extend our analysis beyond GMTKN55 and especially turn our attention to enzymatically catalyzed and metal–organic reactions. We find that B97M‐D4 is now the second‐best performing meta‐generalized‐gradient approximation functional for the GMTKN55 database and it can provide noticeably better organometallic reaction energies compared to B97M‐D3(BJ). Moreover, the aforementioned DFT‐D3(BJ)‐based functionals have not been thoroughly assessed for geometries and herein we close this gap by analyzing geometries of noncovalently bound dimers and trimers, peptide conformers, water hexamers and transition‐metal complexes. We find that several of the B97(M)‐based methods—particularly the DFT‐D4 versions—surpass the accuracy of previously studied methods for peptide conformer, water hexamer, and transition‐metal complex geometries, making them safe‐to‐use, cost‐efficient alternatives to the original methods. The DFT‐D4 variants can be easily used with ORCA4.1 and above.
Urinary miR‐3137 and miR‐4270 as potential biomarkers for diabetic kidney disease
Authors: Li Xiaoyu , Xu Rong , Liu Xiangyang , Xu Linxin , Xue Mei , Cheng Ying , Li Ting , Yu Xiaochen , Wang Yue , Li Chunjun , Sun Bei , Chen Liming
Published: September 2020

Background

As one of the most prevalent diagnostic indicators of diabetic kidney disease (DKD), albumin‐to‐creatinine ratio (ACR) shows considerably limited predictive power in clinical application. We analyzed microarray expression profiling of urine to seek for differentially expressed miRNAs for potential biomarkers of DKD.

Methods

Urine samples from type 2 diabetes mellitus (T2DM) patients with (30 mg/g < ACR < 300 mg/g, DKD group) or without DKD (ACR < 30 mg/g, DM group) were collected for miRNA microarray analysis. The differentially expressed miRNAs were screened by bioinformatics analysis and validated by quantitative real‐time PCR. Target genes of differentially expressed miRNAs were predicted in miRDB, Targetscan, and microRNA.org databases. We also conducted the Gene Ontology (GO) and the Kyoto Encyclopedia of Genes and Genomes (KEGG) signaling pathways analysis to explore for potential mechanisms in DKD.

Results

Nine miRNAs were down‐regulated and seventeen miRNAs were up‐regulated in DKD group, compared to DM group. The levels of miR‐3137 and miR‐4270 in DKD group were 0.670 ± 0.505 and 2.116 ± 1.762 times than those in DM group, respectively, showing great significance. A total of 1076 target genes were simultaneously predicted by miRDB, Targetscan, and microRNA.org databases. According to the GO analysis results, disorders of endomembrane system may be one of the major pathological changes in DKD. In addition, Rap 1 signaling pathway is also altered obviously in DKD, discovered by the KEGG analysis.

Conclusion

MiR‐3137 and miR‐4270 show the potential for urinary biomarkers of DKD. The pathological changes of DKD may be related to disorders of endomembrane system and alternation of Rap1 signaling pathway.
Exposure to ethnic discrimination in social media and symptoms of anxiety and depression among Hispanic emerging adults: Examining the moderating role of gender
Authors: Cano Miguel Ángel , Schwartz Seth J. , MacKinnon David P. , Keum Brian T. H. , Prado Guillermo , Marsiglia Flavio F. , Salas‐Wright Christopher P. , Cobb Cory L. , Garcini Luz M. , De La Rosa Mario , Sánchez Mariana , Rahman Abir , Acosta Laura M. , Roncancio Angelica M. , de Dios Marcel A.
Published: September 2020

Method

Two hundred Hispanic emerging adults from Arizona (n = 99) and Florida (n = 101) completed a cross‐sectional survey, and data were analyzed using hierarchical multiple regression and moderation analyses.

Results

Higher social media discrimination was associated with higher symptoms of depression and generalized anxiety. Moderation analyses indicated that higher social media discrimination was only associated with symptoms of depression and generalized anxiety among men, but not women.

Conclusion

This is likely the first study on social media discrimination and mental health among emerging adults; thus, expanding this emerging field of research to a distinct developmental period.
Proteomic analysis of aqueous humor from cataract patients with retinitis pigmentosa
Authors: Zhang Bi Ning , Wu Xiaoming , Dai Yunhai , Qi Benxiang , Fan Caixia , Huang Yusen
Published: September 2020

A postcataract surgery complication in patients with retinitis pigmentosa (RP) is lens capsular contraction. To identify potential proteins contributing to this phenomenon, high‐performance liquid chromatography/mass spectrometry‐based proteomic analysis was conducted with aqueous humor samples collected from 11 patients who underwent cataract surgeries, with four patients diagnosed as RP and cataract (RP group) and the other seven with only senile cataract group. The upregulated proteins in the RP group were enriched in wound response, while downregulated proteins were enriched in cell adhesion and lens crystallins. Receptors of two dramatically upregulated proteins tenascin‐C (TNC) and serotransferrin were found expressed in human lens epithelial cells (HLEs). TNC can promote primary HLEs proliferation and cell line HLE‐B3 migration. This study indicates aqueous humor proteomic analysis serves as an effective way to unveil the pathogenesis of RP complications. TNC is a potential target of stimulating HLEs proliferation in RP concomitant cataract patients that worth further research.
A potential therapeutic effect of catalpol in Duchenne muscular dystrophy revealed by binding with TAK1
Authors: Xu Dengqiu , Zhao Lei , Jiang Jingwei , Li Sijia , Sun Zeren , Huang Xiaofei , Li Chunjie , Wang Tao , Sun Lixin , Li Xihua , Jiang Zhenzhou , Zhang Luyong
Published: September 2020

Background

Duchenne muscular dystrophy (DMD) is a progressive muscle disease caused by the loss of dystrophin, which results in inflammation, fibrosis, and the inhibition of myoblast differentiation in skeletal muscle. Catalpol, an iridoid glycoside, improves skeletal muscle function by enhancing myogenesis; it has potential to treat DMD. We demonstrate the positive effects of catalpol in dystrophic skeletal muscle.

Methods

mdx (loss of dystrophin) mice (n = 18 per group) were treated with catalpol (200 mg/kg) for six consecutive weeks. Serum analysis, skeletal muscle performance and histology, muscle contractile function, and gene and protein expression were performed. Molecular docking and ligand–target interactions, RNA interference, immunofluorescence, and plasmids transfection were utilized to explore the protective mechanism in DMD by which catalpol binding with transforming growth factor‐β–activated kinase 1 (TAK1) in skeletal muscle.

Results

Six weeks of catalpol treatment improved whole‐body muscle health in mdx mice, which was characterized by reduced plasma creatine kinase (n = 18, −35.1%, P < 0.05) and lactic dehydrogenase (n = 18, −10.3%, P < 0.05) activity. These effects were accompanied by enhanced grip strength (n = 18, +25.4%, P < 0.05) and reduced fibrosis (n = 18, −29.0% for hydroxyproline content, P < 0.05). Moreover, catalpol treatment protected against muscle fatigue and promoted muscle recovery in the tibialis anterior (TA) and diaphragm (DIA) muscles (n = 6, +69.8%, P < 0.05 and + 74.8%, P < 0.001, respectively), which was accompanied by enhanced differentiation in primary myoblasts from DMD patients (n = 6, male, mean age: 4.7 ± 1.9 years) and mdx mice. In addition, catalpol eliminated p‐TAK1 overexpression in mdx mice (n = 12, −21.3%, P < 0.05) and primary myoblasts. The catalpol‐induced reduction in fibrosis and increased myoblast differentiation resulted from the inhibition of TAK1 phosphorylation, leading to reduced myoblast trans‐differentiation into myofibroblasts. Catalpol inhibited the phosphorylation of TAK1 by binding to TAK1, possibly at Asp‐206, Thr‐208, Asn‐211, Glu‐297, Lys‐294, and Tyr‐293.

Conclusions

Our findings show that catalpol and TAK1 inhibitors substantially improve whole‐body muscle health and the function of dystrophic skeletal muscles and may provide a novel therapy for DMD.
Chemical and mechanical resistance of novel experimental hybrid coatings on dentin permeability
Authors: Oliveira Tatiane Alexandre , Anágua‐Bravo Ernesto , Aoki Idalina Vieira , Scaramucci Taís , Sobral Maria Angela Pita
Published: September 2020

This study aimed to evaluate the capacity of novel experimental hybrid coatings (HC) to reduce dentin permeability and to verify their resistance to erosive and abrasive challenges. Dentin disc specimens (1 mm thick) were treated with 0.5 M EDTA solution and randomly allocated into three experimental groups (n = 10): Control (Saliva); Concentrated Hybrid Coating (TEOS/GPTMS/Y‐APS); and Diluted Hybrid Coating (1:3 ratio with distilled water). Dentin permeability was assessed by hydraulic conductance in the following experimental time periods: post‐EDTA, post treatment, post erosion (5 min in 0.05 M citric acid solution, pH = 3.8), and post abrasion (toothbrushing for 3,900 cycles). Dentin permeability percent was calculated with respect the values of post‐EDTA for each experimental time. The morphology of the surface of extra dentin specimens was examined by scanning electron microscopy (SEM) in the same time periods (n = 3). Permeability data were analyzed by two‐way repeated measures ANOVA and Tukey tests (p < .05). Both HC presented significantly lower dentin permeability than control post treatment and post erosion (p < .05), without difference between them (p > .05). Post abrasion, there were no significant difference among groups (p > .05). Post treatment and post erosion, the HC seemed to flow into the tubules, occluding them, while the tubules in control remained opened. Post abrasion, the tubules appear to be occluded in all groups. In conclusion, the experimental hybrid coatings were capable of reducing dentin permeability after treatment. They were also able to resist to erosive and abrasive challenges, with the advantage of forming thinner and colorless films that can be potentially used to treat dentin hypersensitivity.
Neutrophil calprotectin identifies severe pulmonary disease in COVID-19
Authors: Shi Hui , Zuo Yu , Yalavarthi Srilakshmi , Gockman Kelsey , Zuo Melanie , Madison Jacqueline A , Blair Christopher , Woodward Wrenn , Lezak Sean P , Lugogo Njira L , Woods Robert J , Lood Christian , Knight Jason S , Kanthi Yogendra
Published: September 2020

Severe cases of coronavirus disease 2019 (COVID-19) are regularly complicated by respiratory failure. Although it has been suggested that elevated levels of blood neutrophils associate with worsening oxygenation in COVID-19, it is unknown whether neutrophils are drivers of the thrombo-inflammatory storm or simple bystanders. To better understand the potential role of neutrophils in COVID-19, we measured levels of the neutrophil activation marker S100A8/A9 (calprotectin) in hospitalized patients and determined its relationship to severity of illness and respiratory status. Patients with COVID-19 (n = 172) had markedly elevated levels of calprotectin in their blood. Calprotectin tracked with other acute phase reactants including C-reactive protein, ferritin, lactate dehydrogenase, and absolute neutrophil count, but was superior in identifying patients requiring mechanical ventilation. In longitudinal samples, calprotectin rose as oxygenation worsened. When tested on day 1 or 2 of hospitalization (n = 94 patients), calprotectin levels were significantly higher in patients who progressed to severe COVID-19 requiring mechanical ventilation (8039 ± 7031 ng/ml, n = 32) as compared to those who remained free of intubation (3365 ± 3146, P < 0.0001). In summary, serum calprotectin levels track closely with current and future COVID-19 severity, implicating neutrophils as potential perpetuators of inflammation and respiratory compromise in COVID-19.
Subcritical water extraction of organic acids from chicken manure
Authors: Sushkova Svetlana , Minkina Tatiana , Chaplygin Victor , Nevidomskaya Dina , Rajput Vishnu , Bauer Tatiana , Mazarji Mahmoud , Bren Anzhelica B , Popov Igor , Mazanko Maria
Published: September 2020

BACKGROUND

Chicken manure waste has a wide range of organic substances and mineral elements. This enriched source has stimulated great scientific interest in finding cleaner and more environmentally benign nutrient recovery options. This study aimed to determine an effective and eco‐friendly method (i.e. subcritical water extraction) for processing fresh poultry manure.

RESULTS

The high content of total organic carbon, including humic acids carbon and fulvic acids carbon, in extract was found to release under subcritical conditions. The organic compounds obtained by extraction with subcritical water correspond to humic acid in composition because of the presence in the sample of all the functional groups: polymer bonded by molecular hydrogen bond (3400 cm−1), the presence of CH2 and CH3 groups (2870 cm−1), the presence of carboxyl groups (1720 cm−1) and quinones (1640–1680 cm−1). The solid phase left over was characterized by a high content of organic carbon, phosphorus, potassium, and microelements. The maximum extraction of humic acid and fulvic acid carbon was found between 210 and 250 °C at a pressure of 50–60 atm, and the content was a maximum of 3647.2 × 10−6 g kg−1 at an extraction temperature of 250 °C.

CONCLUSION

Given the high content of humic acid found in the extracted medium, the proposed subcritical extraction opens up new opportunities for nutrients recovery in the poultry industry. © 2020 Society of Chemical Industry
Metabolic profiling reveals alterations in the erythrocyte response to fava bean ingestion in G6PD‐deficient mice
Authors: Du Guankui , Xiao Man , Chen Bochen , Wang Ao , Zhu Qiwei , Cai Wangwei
Published: September 2020

BACKGROUND

Favism is an acute hemolytic syndrome caused by fava bean (FB) ingestion. The purpose of this study was to investigate the possible influences of FB on the metabonomic profile of erythrocytes in glucose‐6‐phosphate dehydrogenase (G6PD)‐deficient (G6PDx) and wild‐type (WT) mice.

RESULTS

Ninety‐two metabolites were identified in the comparison of the G6PDx and WT groups. Eighty‐seven metabolites were identified in the erythrocytes of WT and G6PDx mice after FB ingestion. Thirty‐eight metabolites were identified in the comparison of the FB‐treated G6PDx and the FB‐treated WT mouse groups. Among them, the number of glycerophospholipids (GPLs) and polyunsaturated fatty acids (PUFAs) changed significantly, which suggests that GPLs and PUFAs may be responsible for FB stress.

CONCLUSION

This study demonstrates that G6PD deficiency might affect the metabonomic profile of erythrocytes in response to FB. © 2020 Society of Chemical Industry
Runoff and sediment yield from forested catchments under varying management intensities: Insights from a subtropical region of Brazil
Authors: Ogasawara Matheus E. K. , Santos Gláucia R. , Cassiano Carla C. , Wemple Beverley C. , Ferraz Silvio F. B.
Published: September 2020

Streams have tolerance limits to certain environmental conditions, high levels of sediment can influence water quality and, consequently, aquatic life and human health. Considerable research in temperate forest ecosystems has elucidated the dynamics of suspended sediment export and the role of forest management on changing sediment yields, but fewer studies for subtropical regions exist. The objective of this study was to evaluate the effects of forest management on suspended sediment export under varying forest cover and management conditions in subtropical Brazil. Three catchments, with different management systems, were evaluated: eucalyptus forest plantation with even‐age stands management (EUC), native forest (NAT), and mosaic of forests plantation with different species and ages (MOS), located in southeastern Brazil. Streamflow, precipitation and turbidity data were collected by pressure transducers, automatic rain gauge and YSI 6136 turbidity sensors, respectively, during the period from November 2016 to October 2017. The suspended sediment yield was estimated through a relationship between turbidity and suspended sediment concentration. The results showed that sediment export ranged from 0.032 Mg ha−1yr−1to 0.411 Mg ha−1yr−1. The catchments studied presented a low sediment export rate, compared to other studies conducted in forested settings worldwide. Our results provide insights into the high‐frequency sediment production dynamics of Brazilian forested catchments and demonstrate that, regardless of the forest management system applied in the area, native or exotic planted forests are capable of protecting the soil and minimizing the effects of sediments export.
Adenine‐Functionalized Supramolecular Micelles for Selective Cancer Chemotherapy
Authors: Ilhami Fasih Bintang , Alemayehu Yihalem Abebe , Fan Wen‐Lu , Tsai Hsieh‐Chih , Kao Chen‐Yu , Cheng Chih‐Chia
Published: September 2020

Functional supramolecular micelles containing self‐complementary multiple hydrogen bonding adenine groups (A‐PPG) can spontaneously self‐assemble into stable nanosized micelles in aqueous solution. These micelles can be used to selectively deliver anticancer drugs to cancer cells and effectively promote tumor cell death via apoptosis, without harming normal cells. The drug‐loaded micelles exhibit tunable drug‐loading capacity and rapid pH‐triggered drug release under acidic conditions, as well as a high drug‐entrapment stability in serum‐rich media due to the reversible hydrogen‐bonded adenine–adenine interactions within the micellar interior; these properties are critical to achieving effective chemotherapeutic drug delivery and controlled drug release. In vitro assays show that the drug‐loaded micelles exert significant cytotoxic effects on cancer cells, with minimal effects on normal cells under physiological conditions. Cytotoxicity assays using A‐PPG micelles loaded with different anticancer drugs confirm these effects. Importantly, cellular internalization and flow cytometric analyses demonstrate that the adenine moieties within A‐PPG micelles significantly increase selective endocytic uptake of the supramolecular micelles by cancer cells, which in turn induce apoptotic cell death and substantially enhance the response to chemotherapy. Thus, A‐PPG micelles can improve the safety and efficacy of cancer chemotherapy.
General corrosion of carbon steel in a synthetic concrete pore solution
Authors: Qiu Jie , Macdonald Digby D. , Xu Yi , Sun Li
Published: September 2020

In this study, we reviewed our recent work on the general corrosion of carbon steel (P355QL2) overpack material for the isolation of high‐level nuclear waste in Belgium's supercontainer concept. By using electrochemical impedance spectroscopy and by optimizing the mixed potential model, which incorporates quantum mechanical tunneling of charge carriers across the barrier layer to describe the kinetics of the partial cathodic process, we evaluated all parameters in the model as a function of independent variables such as voltage, temperature, and pH. By delineating the partial anodic and cathodic processes, we found that the corrosion rate (CR) is independent of voltage over the voltage range from 0.2 to −1.0 VSHE, which is predicted to be experienced in the repository. Furthermore, the CR is found to increase strongly with decreasing pH and increasing temperature.
MYT1 role in the microtia‐craniofacial microsomia spectrum
Authors: Luquetti Daniela V. , Heike Carrie L. , Zarante Ignacio , Timms Andrew E. , Gustafson Jonas , Pachajoa Harry , Porras‐Hurtado Gloria L. , Ayala‐Ramirez Paola , Duenas‐Roque Milagros M. , Jimenez Natalia , Ibanez Lina M. , Hurtado‐Villa Paula
Published: September 2020

Background

Craniofacial microsomia (CFM), also known as the oculo‐auriculo‐vertebral spectrum, comprises a variable phenotype with the most common features including microtia and mandibular hypoplasia on one or both sides, in addition to lateral oral clefts, epibulbar dermoids, cardiac, vertebral, and renal abnormalities. The etiology of CFM is largely unknown. The MYT1 gene has been reported as a candidate based in mutations found in three unrelated individuals. Additional patients with mutations in this gene are required to establish its causality. We present two individuals with CFM that have rare variants in MYT1 contributing to better understand the genotype and phenotype associated with mutations in this gene.

Methods/Results

We conducted genetic analysis using whole‐exome and ‐genome sequencing in 128 trios with CFM. Two novel MYT1 mutations were identified in two participants. Sanger sequencing was used to confirm these mutations.

Conclusion

We identified two additional individuals with CFM who carry rare variants in MYT1, further supporting the presumptive role of this gene in the CFM spectrum.
A compact flower slotted dual band notched ultrawideband antenna integrated with Ku band for ultrawideband, medical, direct broadcast service, and fixed satellite service applications
Authors: Devana V. N. Koteswara Rao , Rao A. Maheswara
Published: September 2020

A compact flower slotted antenna (FSA) for dual band eliminated ultrawideband (UWB) integrated with Ku band applications is proposed. The basic FSA with modified ground structure is utilized for obtaining fractional bandwidth of 137% (3.45‐18.45 GHz). The dual band eliminated frequencies are achieved by a via hole to eliminate 5.39 to 5.90 GHz (upper WLAN band) frequencies and by utilizing symmetrical inverted L‐shaped parasitic elements to notch 7.30 to 7.75 GHz (downlink of X‐ band satellite communication link) frequencies. The FSA is having a compact size of 16 × 22 mm2 printed on low cost FR‐ 4 substrate with two band notched characteristics, nearly omnidirectional radiation characteristics and stable gain over UWB frequency range makes it suitable for portable UWB systems.
Accuracy of cardiac‐induced brain motion measurement using displacement‐encoding with stimulated echoes (DENSE) magnetic resonance imaging (MRI): A phantom study
Authors: Nwotchouang Blaise Simplice Talla , Eppelheimer Maggie S. , Biswas Dipankar , Pahlavian Soroush Heidari , Zhong Xiaodong , Oshinski John N. , Barrow Daniel L. , Amini Rouzbeh , Loth Francis
Published: September 2020

Purpose

The goal of this study was to determine the accuracy of displacement‐encoding with stimulated echoes (DENSE) MRI in a tissue motion phantom with displacements representative of those observed in human brain tissue.

Methods

The phantom was comprised of a plastic shaft rotated at a constant speed. The rotational motion was converted to a vertical displacement through a camshaft. The phantom generated repeatable cyclical displacement waveforms with a peak displacement ranging from 92 µm to 1.04 mm at 1‐Hz frequency. The surface displacement of the tissue was obtained using a laser Doppler vibrometer (LDV) before and after the DENSE MRI scans to check for repeatability. The accuracy of DENSE MRI displacement was assessed by comparing the laser Doppler vibrometer and DENSE MRI waveforms.

Results

Laser Doppler vibrometer measurements of the tissue motion demonstrated excellent cycle‐to‐cycle repeatability with a maximum root mean square error of 9 µm between the ensemble‐averaged displacement waveform and the individual waveforms over 180 cycles. The maximum difference between DENSE MRI and the laser Doppler vibrometer waveforms ranged from 15 to 50 µm. Additionally, the peak‐to‐peak difference between the 2 waveforms ranged from 1 to 18 µm.

Conclusion

Using a tissue phantom undergoing cyclical motion, we demonstrated the percent accuracy of DENSE MRI to measure displacement similar to that observed for in vivo cardiac‐induced brain tissue.
"Warmherzig, aber nüchtern und klar": Interview mit Helmut Ringsdorf
Authors: Remenyi Christian
Published: September 2020

Vor einhundert Jahren postulierte Hermann Staudinger das Konzept der Makromoleküle und wurde zum Pionier dieses Chemiezweigs. Helmut Ringsdorf, der letzte Diplomand Staudingers, erzählt von einem Wissenschaftler, der seiner Zeit voraus war – in mehrerer Hinsicht.
Dämmplatten, Klebstoffe, Motoröl
Authors: Zbikowski Frauke
Published: September 2020

Die Universitäten bilden Polymerchemiker zu Experten aus, die Industrie verwandelt sie in Generalisten. Drei Chemikerinnen und ein Chemiker berichten über ihren Berufseinstieg bei Kunststoffherstellern und wie es weiterging.
Datenzugang für alle
Authors: Zbikowski Frauke
Published: September 2020

Zwei Konsortien aus der Chemie erhalten für fünf Jahre Mittel, um in Deutschland eine Forschungsdateninfrastruktur aufzubauen.
Optimal control problems with Atangana‐Baleanu fractional derivative
Authors: Tajadodi Haleh , Khan Aziz , Francisco Gómez‐Aguilar José , Khan Hasib
Published: September 2020

In this paper, we study fractional‐order optimal control problems (FOCPs) involving the Atangana‐Baleanu fractional derivative. A computational method based on B‐spline polynomials and their operational matrix of Atangana‐Baleanu fractional integration is proposed for the numerical solution of this class of problems. With this numerical technique, the FOCPs are reduced to a system of equations which are solved for the unknown parameters with the help of Mathematica® software. Our results show the applicability and usefulness of the numerical technique.
Media framing of spiders may exacerbate arachnophobic sentiments
Authors: Mammola Stefano , Nanni Veronica , Pantini Paolo , Isaia Marco
Published: September 2020

Spiders are able to arouse strong emotional reactions in humans. While spider bites are statistically rare events, our perception is skewed towards the potential harm spiders can cause to humans. Nevertheless, there is still limited understanding of the role of the media in spreading (mis)information about them thereby promoting this distorted perception of risk.

We examined the human dimension of spiders through the lens of traditional media, by analysing spider‐related news published online in Italian newspapers between 2010 and 2020 (n = 314). We assessed the accuracy, circulation and sensationalistic content of each article, and assessed how each of these features drove news' share on social media.

We observed a recent, exponential increase in the frequency of the news, particularly those focused on medically important spiders—the Mediterranean black widow Latrodectus tredecimguttatus and the Mediterranean recluse Loxosceles rufescens. The news quality was generally poor: 70% contained different types of error, 32% were sensationalistic, and in virtually none was an expert consulted.

The risk scenario depicted by the media reports was unnecessarily alarmist, especially with regard to L. rufescens. A conservative estimate would suggest that less than 10% of the bites reported in the media reports analysed here were delivered by the species described in the report. Moreover, two out of three casualties associated with a bite of the Mediterranean recluse were fake news, while the third was unverifiable.

Overstated news referring to spider bites was shared significantly more on social media, thus contributing to frame a distorted perception of the risk. This is important given that these negative sentiments may ultimately lead to lowering public tolerance towards spiders and reducing conservation efforts towards them. We discuss open questions and avenues for future research concerning the media coverage of widely feared animals, that will help bridge knowledge gaps regarding the role of traditional and social media in framing our perception of the natural world.

A free Plain Language Summary can be found within the Supporting Information of this article.
Analysis of curing of diglycidyl ether of bisphenol A (BADGE n = 0) with 2‐adamantylethanamine
Authors: Fraga López Francisco , Válcarcel Javier , Soto Victor H. , Martínez Ageitos José M. , Rodríguez Eugenio , Vázquez Tato José
Published: September 2020

The epoxy resin diglycidyl ether of Bisphenol A (BADGE n = 0) has been cured with a new synthesized hardener (2‐adamantylethanamine) and the crosslinking reaction was characterized by DSC. Values of 413.3 J/g and 95°C have been obtained for the enthalpy of the reaction and the glass transition temperature, respectively. The experimental results obey Kamal's model over all conversion range of temperatures (70°C‐100°C). The activation energies of the mechanisms involved in the curing reaction have been determined for both the autocatalytic and the n‐order mechanism, the values being 63.3 and 29.8 kJ/mol, respectively. The value for Tg is 23°C higher than the one for (BADGE n = 0)/amantadine, while the activation energy for the n‐order mechanism is around 13 kJ/mol lower. This is consistent with a higher steric effect of the adamantyl group in the second hardener since it will hinder the opening the oxirane ring by the nitrogen atom of the amino group. As the polymerization reaction progress, this effect will disappear as the distance adamantyl‐oxirane increase when new oxirane groups react with the hydroxyl groups (autocatalyzed reaction). Consequently, by selecting the appropriate cross‐linking agent, it is possible to simultaneously increase Tg while reducing theactivation energy, two effects which may be desirable for some industrial applications of the material.
Analysis of immune‐related adverse events caused by immune checkpoint inhibitors using the Japanese Adverse Drug Event Report database
Authors: Hasegawa Shiori , Ikesue Hiroaki , Nakao Satoshi , Shimada Kazuyo , Mukai Ririka , Tanaka Mizuki , Matsumoto Kiyoka , Inoue Misaki , Satake Riko , Yoshida Yu , Goto Fumiya , Hashida Tohru , Nakamura Mitsuhiro
Published: September 2020

Purpose

The aim of our study was to characterize the clinical features of immune‐related adverse events (irAEs) associated with immune checkpoint inhibitors (ICIs) in a real‐world setting using the Japanese Adverse Drug Event Report (JADER) database.

Methods

The irAEs were defined using the preferred terms of the Medical Dictionary for Regulatory Activities. irAEs were categorized as follows: adrenal insufficiency, colitis, eye diseases, hematological disorder, hepatitis, hyperthyroidism, hypopituitarism, hypothyroidism, myasthenia gravis, myocarditis, nephritis/renal dysfunction, pneumonitis, rash, and type 1 diabetes mellitus. We used several indices such as reporting odds ratio (ROR) to assess disproportionality in pharmacovigilance data, time‐to‐onset analysis using Weibull shape parameters, and the association rule mining technique to evaluate possible risk factors between variables in the spontaneous reporting system database.

Results

The JADER database contained 534 688 reports from April 2004 to June 2018. The RORs of pneumonitis including interstitial lung disease for nivolumab, pembrolizumab, and ipilimumab were 7.02 (95% confidence interval: 6.55‐7.52), 9.08 (8.28‐9.97), and 1.74 (1.27‐2.38), respectively. The median onsets (quartiles, 25‐75%) of myocarditis caused by nivolumab and pembrolizumab were 28.0 (15.5‐60.5) and 18.0 (13.0‐44.5) days, respectively. Co‐therapy with nivolumab and ipilimumab may be associated with irAEs in several categories as per the association rule mining analysis.

Conclusion

Our results demonstrated a potential risk of irAEs associated with ICIs, based on RORs and time‐to‐onset analysis. Furthermore, our findings indicated that patients receiving nivolumab and ipilimumab as co‐therapy should be carefully monitored.
Polymer/liquid crystal nanocomposites for energy storage applications
Authors: Labeeb A. M. , Ibrahim S. A. , Ward A. A. , Abd‐El‐Messieh S. L.
Published: September 2020

High‐dielectric constant (high‐K) polymer nanocomposites based on nematic liquid crystals and CaCu3Ti4O12 (CCTO) nanoparticles have been prepared. The host matrix is polymer dispersed liquid crystals (PDLC) in which LC (E7) droplets are dispersed in different polymer blends ratios of poly vinyl chloride/poly aniline (PVC/PANI). The PDLC (PVC/PANI/E7) in the appropriated ratios; (90/10/5), (75/25/5), and (50/50/5) were composited with 10 wt% CCTO nanoparticles. The IR spectra recorded for the PDLC nanocomposites present a spectrum similar to that of pure PDLC but with a slight shift of the peak positions. The addition of PANI and CCTO to PDLC enhances the thermal stability of the nanocomposites. SEM demonstrates agglomerates of CCTO dispersed in the polymer textures. Moreover, the addition of E7 facilitates the integration of PANI in PDLC matrix. The broadband dielectric spectrum shows high‐frequency relaxation in addition to low‐frequency interfacial polarization (Maxwell‐Wagner type polarization). Besides, ε′ at 50 Hz is in the order of 105 for PDLC/CCTO (50/50/5/10) nanocomposite. In addition, the computed energy density is found to be 74.66 J/cm3. This presumed ratio could be accentuated as a potential candidate for energy storage application with respect to the considerations of device fabrications.
Using Active Surface Plasmons in a Multibit Optical Storage Device to Emulate Long‐Term Synaptic Plasticity
Authors: Rhim Seon-Young , Ligorio Giovanni , Hermerschmidt Felix , Hildebrandt Jana , Pätzel Michael , Hecht Stefan , List-Kratochvil Emil J. W.
Published: September 2020

Artificial intelligence takes inspiration from the functionalities and structure of the brain to solve complex tasks and allow learning. Yet, hardware realization that simulates the synaptic activities realized with electrical devices still lags behind computer software implementation, which has improved significantly during the past decade. Herein, the capability to emulate synaptic functionalities by exploiting surface plasmon polaritons (SPPs) is shown. By depositing photochromic switching molecules (diarylethene) on a thin film of gold, it is possible to reliably control the electronic configuration of the molecules upon illumination cycles with UV and visible light. These reversible changes modulate the dielectric function of the photochromic film and thus enable the effective control of the SPP dispersion relation at the molecule/gold interface. The plasmonic device displays fundamental functions of a synapse such as potentiation, depression, and long‐term plasticity. The integration of such plasmonic devices in an artificial neural network is deployed in plasmonic neuroinspired circuits for optical computing and data transmission.
Oridonin induces ferroptosis by inhibiting gamma‐glutamyl cycle in TE1 cells
Authors: Zhang Junhong , Wang Ni , Zhou Yuanyuan , Wang Kaili , Sun Yaxin , Yan Hao , Han Wenchao , Wang Xinying , Wei Bo , Ke Yu , Xu Xia
Published: September 2020

Oridonin (Ori) is a natural tetracyclic diterpenoid active compound with excellent antitumor activity, but the mechanism of Ori on esophageal cancer cell, TE1, remains unclear. In this study, we examined the levels of intracellular iron, malondialdehyde, and reactive oxygen species after Ori treatment, while interfering with the effects of Ori with ferroptosis inhibitor, demonstrating that Ori's inhibition of TE1 cell proliferation is associated with ferroptosis. To understand the molecular mechanism of Ori, we performed UPLC–MS/MS metabolomics profiling on TE1 cells, which show that gamma‐glutamyl amino acids (gamma‐glutamylleucine, gamma‐glutamylvaline), 5‐oxoproline, glutamate, GSH, and GSSG are changed significantly after Ori treatment. Meanwhile, the activity of gamma‐glutamyl transpeptidase 1 (GGT1) decreased. This revealed that Ori inhibited the gamma‐glutamyl cycle in TE1 cells. Furthermore, we found that Ori can covalently bind to cysteine to form the conjugate oridonin‐cysteine (Ori‐Cys), resulting in the inhibition of glutathione synthesis, which is consistent with the decrease in the enzymatic activity of glutamate cysteine ligase catalytic subunit (GCLC). Eventually, the value of intracellular GSH/GSSG was reduced, and the enzymatic activity of the glutathione peroxidase 4 (GPX4) was significantly decreased. In conclusion, our experiments indicated that Ori can inhibit the gamma‐glutamyl cycle, thereby inducing ferroptosis to exert anti‐cancer activity.
Citrinin against breast cancer: A cytogenotoxicological study
Authors: de Oliveira Filho José Williams Gomes , Andrade Teresinha de Jesus Aguiar dos Santos , de Lima Rosália Maria Tôrres , dos Reis Antonielly Campinho , Silva Dulce Helena Siqueira , Santos José Victor de Oliveira , de Menezes Ag‐Anne Pereira Melo , da Mata Ana Maria Oliveira , Dias Ana Carolina Soares , de Alencar Marcus Vinícius Oliveira Barros , Paz Márcia Fernanda Correia Jardim , Moreno Lina Clara Gayoso e Almendra Ibiapina , Islam Muhammad Torequl , Mubarak Mohammad S. , Sousa João Marcelo de Castro e , Melo Cavalcante Ana Amélia de Carvalho
Published: September 2020

Breast cancer is one of the most lethal types of cancer and a leading cause of mortality among Women worldwide. Citrinin (CIT), a polyketide extracted from the fungus Penicillium citrinum, exhibits a wide range of biological activities such as antibacterial, antifungal, and cytotoxic effects. The aim of the current study was to evaluate the antitumoral effects of CIT against 7,12‐dimethylbenzanthracene (DMBA)‐induced mammary carcinoma in Swiss mice For this, CIT, DMBA and the standard cyclophosphamide (CPA) induced behavioral changes in experimental animals, and these changes were screened by using the rota rod and open field tests. Additionally, hematological, biochemical, immuno‐histochemical, and histopathological analyses were carried out. Results suggest that CIT did not alter behavioral, hematological, and biochemical parameters in mice. DMBA induced invasive mammary carcinoma and showed genotoxic effects in the breasts, bone marrow, lymphocytes, and hepatic cells. It also caused mutagenic effects in the formation of micronuclei, bridges, shoots, and binucleate cells in bone marrow and liver. CIT and CPA genotoxic effects were observed after 3 weeks of therapy, where CIT exhibited a repair capacity and induced significant apoptotic damage in mouse lymphocytes. In conclusion, CIT showed antitumoral effects in Swiss mice, possibly through induction of apoptosis.
Cross‐sectional structural characterization of the surface of exfoliated HOPG using HRTEM‐EELS
Authors: Miyazawa Kun'ichi , Nagai Takuro , Kimoto Koji , Yoshitake Masaru , Tanaka Yumi
Published: September 2020

We analyzed the surface atomic structure of highly oriented pyrolytic graphite (HOPG) substrate exfoliated with adhesive tape, using high‐resolution transmission electron microscopy and scanning transmission electron microscopy‐electron energy‐loss spectroscopy (STEM‐EELS). The surface step height of the exfoliated HOPG substrate was determined using high‐angle annular dark‐field‐scanning transmission electron microscopy (HAADF‐STEM) images and the depth profiles of the EELS spectra of a cross‐sectioned thin foil specimen prepared via focused ion beam milling. The exfoliated surface of the HOPG substrate presented disordered and curved graphene layers. The STEM‐EELS measurements indicated that upon exfoliation, the surface of the HOPG substrate reacted with atmospheric water and oxygen molecules.
Synthesis of Green Emitting Multi‐substituted Dibenzodioxins and Related Heteroacenes and Computational Investigation of Substituent Effects on Emission Spectra
Authors: Ashok Phadte Apeksha , Chattopadhyay Anjan , Banerjee Subhadeep , Singh Sisodiya Dilawar , Raghava Tanya
Published: September 2020

Push‐pull dibenzodioxins with electron withdrawing and donating groups were prepared in good yields through a short and simple synthesis. Strong green emission above 500 nm occurs in those derivatives where there is maximum charge transfer to the most electron deficit terephthalonitrile ring, from proximal cyclic amino donor groups. Theoretical calculations support experimental findings through evaluation of excited state properties. In molecules with a nitro group, the excited state localizes electron density exclusively onto it and twisted nitro geometry was also found. In effect, electronic charge cannot relocate into the molecular plane, rendering them non‐fluorescent. Also, studies on the fluorescent derivatives show that best emission would occur when the donor moiety contains a saturated cyclic amino ring and the amines are 2°. Overall, our study establishes structure‐property guidelines and limits on dibenzodioxin functionalization towards preparing fluorescent derivatives of the same.
Hierarchically Nanoporous 3D Assembly Composed of Functionalized Onion‐Like Graphitic Carbon Nanospheres for Anode‐Minimized Li Metal Batteries
Authors: Ha Son , Hyun Jong Chan , Kwak Jin Hwan , Lim Hee‐Dae , Yun Young Soo
Published: September 2020

Despite the recent attention for Li metal anode (LMA) with high theoretical specific capacity of ≈3860 mA h g−1, it suffers from not enough practical energy densities and safety concerns originating from the excessive metal load, which is essential to compensate for the loss of Li sources resulting from their poor coulombic efficiencies (CEs). Therefore, the development of high‐performance LMA is needed to realize anode‐minimized Li metal batteries (LMBs). In this study, high‐performance LMAs are produced by introducing a hierarchically nanoporous assembly (HNA) composed of functionalized onion‐like graphitic carbon building blocks, several nanometers in diameter, as a catalytic scaffold for Li‐metal storage. The HNA‐based electrodes lead to a high Li ion concentration in the nanoporous structure, showing a high CE of ≈99.1%, high rate capability of 12 mA cm−2, and a stable cycling behavior of more than 750 cycles. In addition, anode‐minimized LMBs are achieved using a HNA that has limited Li content (≈0.13 mg cm−2), corresponding to 6.5% of the cathode material (commercial NCM622 (≈2 mg cm−2)). The LMBs demonstrate a feasible electrochemical performance with high energy and power densities of ≈510 Wh kgelectrode−1 and ≈2760 W kgelectrode−1, respectively, for more than 100 cycles.
Methods with Nanoarchitectonics for Small Molecules and Nanostructures to Regulate Living Cells
Authors: Song Jingwen , Jia Xiaofang , Ariga Katsuhiko
Published: September 2020

Among all kinds of functional systems and mechanisms, living cells may be regarded as the most advanced functional material systems. Creation of cell‐like highly functional systems can be an ultimate goal of nanoarchitectonics research. Although full construction of cell‐like functional objects may not be going to happen anytime soon, controls of living cells by small molecules and their nanoarchitected assemblies can be accomplishable research subjects. Nanoarchitectonics approaches are helpful for small molecules and nanostructures to regulate living cells. In this review article, several examples in cell regulation with bio‐related molecules and cell regulation with the aid of external stimuli such as electronic and photonic stimuli are first exhibited. Following these examples, controls of cell alignments and differentiations at extremely different interfacial media, the surface with hard nanocarbon structures, and completely soft liquid–liquid interface, are discussed. Especially, interaction at contacting external surface can trigger integrated relayed processes within living cells which may finally alter cellular behaviors and eventually guide stem cell differentiation. Surface designing by interfacial nanoarchitectonics can be a crucial key in regulation of living cells. It can lead to technology connection between surface nanofabrication and tissue engineering and cell‐based technology.