bluuebunny/crossref_metadata_2025 huggingface dataset:
SARS-CoV-2 serology in 4000 health care and administrative staff across seven sites in Lombardy, Italy
Authors: Sandri Maria Teresa , Azzolini Elena , Torri Valter , Carloni Sara , Pozzi Chiara , Salvatici Michela , Tedeschi Michele , Castoldi Massimo , Mantovani Alberto , Rescigno Maria
Published: June 2021

Lombardy is the Italian region most affected by COVID-19. We tested the presence of plasma anti-SARS-CoV-2 IgG antibodies in 3985 employees across 7 healthcare facilities in areas of Lombardy with different exposure to the SARS-CoV-2 epidemic. Subjects filled a questionnaire to self-report on COVID-19 symptoms, comorbidities, smoking, regular or remote working, and the exposure to COVID-infected individuals. We show that the number of individuals exposed to the virus depended on the geographical location of the facility, ranging between 3 and 43%, consistent with the spatial variation of COVID-19 incidence in Lombardy, and correlated with family interactions. We observed a higher prevalence of females than males positive for IgG, however the level of antibodies was similar, suggesting a comparable magnitude of the anti-spike antibody response. IgG positivity among smokers was lower (7.4% vs 13.5%) although without difference in IgG plasma levels. We observed 11.9% of IgG positive asymptomatic individuals and another 23.1% with one or two symptoms. Interestingly, among the IgG positive population, 81.2% of subjects with anosmia/dysgeusia and fever were SARS-CoV-2 infected, indicating that these symptoms are strongly associated to COVID-19. In conclusion, the frequency of IgG positivity and SARS-CoV-2 infection is dependent on the geographical exposure to the virus and primarily to family rather than hospital exposure.
Diversity and interactions among triatomine bugs, their blood feeding sources, gut microbiota and Trypanosoma cruzi in the Sierra Nevada de Santa Marta in Colombia
Authors: Murillo-Solano Claribel , López-Domínguez Jaime , Gongora Rafael , Rojas-Gulloso Andres , Usme-Ciro Jose , Perdomo-Balaguera Erick , Herrera Claudia , Parra-Henao Gabriel , Dumonteil Eric
Published: June 2021

Chagas disease remains a major neglected disease in Colombia. We aimed to characterize Trypanosoma cruzi transmission networks in the Sierra Nevada de Santa Marta (SNSM) region, to shed light on disease ecology and help optimize control strategies. Triatomines were collected in rural communities and analyzed for blood feeding sources, parasite diversity and gut microbiota composition through a metagenomic and deep sequencing approach. Triatoma dimidiata predominated, followed by Rhodnius prolixus, Triatoma maculata, Rhodnius pallescens, Panstrongylus geniculatus and Eratyrus cuspidatus. Twenty-two species were identified as blood sources, resulting in an integrated transmission network with extensive connectivity among sylvatic and domestic host species. Only TcI parasites were detected, predominantly from TcIb but TcIa was also reported. The close relatedness of T. cruzi strains further supported the lack of separate transmission cycles according to habitats or triatomine species. Triatomine microbiota varied according to species, developmental stage and T. cruzi infection. Bacterial families correlated with the presence/absence of T. cruzi were identified. In conclusion, we identified a domestic transmission cycle encompassing multiple vector species and tightly connected with sylvatic hosts in the SNSM region, rather than an isolated domestic transmission cycle. Therefore, integrated interventions targeting all vector species and their contact with humans should be considered.
Fourier transform infrared spectroscopy coupled with machine learning classification for identification of oxidative damage in freeze-dried heart valves
Authors: Liu Dejia , Caliskan Sükrü , Rashidfarokhi Bita , Oldenhof Harriëtte , Jung Klaus , Sieme Harald , Hilfiker Andres , Wolkers Willem F.
Published: June 2021

Freeze-drying can be used to ensure off-the-shelf availability of decellularized heart valves for cardiovascular surgery. In this study, decellularized porcine aortic heart valves were analyzed by nitroblue tetrazolium (NBT) staining and Fourier transform infrared spectroscopy (FTIR) to identify oxidative damage during freeze-drying and subsequent storage as well as after treatment with H2O2 and FeCl3. NBT staining revealed that sucrose at a concentration of at least 40% (w/v) is needed to prevent oxidative damage during freeze-drying. Dried specimens that were stored at 4 °C depict little to no oxidative damage during storage for up to 2 months. FTIR analysis shows that fresh control, freeze-dried and stored heart valve specimens cannot be distinguished from one another, whereas H2O2- and FeCl3-treated samples could be distinguished in some tissue section. A feed forward artificial neural network model could accurately classify H2O2 and FeCl3 treated samples. However, fresh control, freeze-dried and stored samples could not be distinguished from one another, which implies that these groups are very similar in terms of their biomolecular fingerprints. Taken together, we conclude that sucrose can minimize oxidative damage caused by freeze-drying, and that subsequent dried storage has little effects on the overall biochemical composition of heart valve scaffolds.
Facile method for delivering chikungunya viral replicons into mosquitoes and mammalian cells
Authors: Lin Hui-Chung , Chiao Der-Jiang , Lin Chang-Chi , Kuo Szu-Cheng
Published: June 2021

Reverse genetics is an important tool in the elucidation of viral replication and the development of countermeasures; however, these methods are impeded by laborious and inefficient replicon delivery methods. This paper demonstrates the use of a baculovirus to facilitate the efficient delivery of autonomous CHIKV replicons into mosquito and mammalian cells in vitro as well as adult mosquitoes in vivo. The efficacy of this approach was verified via co-localization among an eGFP reporter, nsP1, and dsRNA as well as through the inhibition of an RNA-dependent RNA polymerase (RdRp) null mutation (DDAA) in nsP4, or the treatment of a known antiviral compound (6-azauridine). We also investigated the correlation between CHIKV replicon-launched eGFP expression and the effectiveness of CHIKV replicon variants in inducing IFN-β expression in human cell lines. This delivery method based on a single vector is applicable to mosquito and mammalian cells in seeking to decipher the mechanisms underlying CHIKV replication, elucidate virus–host interactions, and develop antivirals. This study presents an effective alternative to overcome many of the technological issues related to the study and utilization of autonomous arbovirus replicons.
Small flexible automated system for monitoring Caenorhabditis elegans lifespan based on active vision and image processing techniques
Authors: Puchalt Joan Carles , Sánchez-Salmerón Antonio-José , Ivorra Eugenio , Llopis Silvia , Martínez Roberto , Martorell Patricia
Published: June 2021

Traditionally Caenorhabditis elegans lifespan assays are performed by manually inspecting nematodes with a dissection microscope, which involves daily counting of live/dead worms cultured in Petri plates for 21–25 days. This manual inspection requires the screening of hundreds of worms to ensure statistical robustness, and is therefore a time-consuming approach. In recent years, various automated artificial vision systems have been reported to increase the throughput, however they usually provide less accurate results than manual assays. The main problems identified when using these vision systems are the false positives and false negatives, which occur due to culture media changes, occluded zones, dirtiness or condensation of the Petri plates. In this work, we developed and described a new C. elegans monitoring machine, SiViS, which consists of a flexible and compact platform design to analyse C. elegans cultures using the standard Petri plates seeded with E. coli. Our system uses an active vision illumination technique and different image-processing pipelines for motion detection, both previously reported, providing a fully automated image processing pipeline. In addition, this study validated both these methods and the feasibility of the SiViS machine for lifespan experiments by comparing them with manual lifespan assays. Results demonstrated that the automated system yields consistent replicates (p-value log rank test 0.699), and there are no significant differences between automated system assays and traditionally manual assays (p-value 0.637). Finally, although we have focused on the use of SiViS in longevity assays, the system configuration is flexible and can, thus, be adapted to other C. elegans studies such as toxicity, mobility and behaviour.
Differential methylation of G-protein coupled receptor signaling genes in gastrointestinal neuroendocrine tumors
Authors: Byun Seyoun , Affolter Kajsa E. , Snow Angela K. , Curtin Karen , Cannon Austin R. , Cannon-Albright Lisa A. , Thota Ramya , Neklason Deborah W.
Published: June 2021

Neuroendocrine tumors (NETs) of the small intestine undergo large chromosomal and methylation changes. The objective of this study was to identify methylation differences in NETs and consider how the differentially methylated genes may impact patient survival. Genome-wide methylation and chromosomal copy number variation (CNV) of NETs from the small intestine and appendix were measured. Tumors were divided into three molecular subtypes according to CNV results: chromosome 18 loss (18LOH), Multiple CNV, and No CNV. Comparison of 18LOH tumors with MultiCNV and NoCNV tumors identified 901 differentially methylated genes. Genes from the G-protein coupled receptor (GPCR) pathways are statistically overrepresented in the differentially methylated genes. One of the highlighted genes from the GPCR pathway is somatostatin (SST), a clinical target for NETs. Patient survival based on low versus high methylation in all samples identified four significant genes (p < 0.05) OR2S2, SMILR, RNU6-653P, and AC010543.1. Within the 18LOH molecular subtype tumors, survival differences were identified in high versus low methylation of 24 genes. The most significant is TRHR (p < 0.01), a GPCR with multiple FDA-approved drugs. By separating NETs into different molecular subtypes based on chromosomal changes, we find that multiple GPCRs and their ligands appear to be regulated through methylation and correlated with survival. These results suggest opportunities for better treatment strategies for NETs based on molecular features.
Cervical transcutaneous vagal nerve stimulation (ctVNS) improves human cognitive performance under sleep deprivation stress
Authors: McIntire Lindsey K. , McKinley R. Andy , Goodyear Chuck , McIntire John P. , Brown Rebecca D.
Published: June 2021

Fatigue is a pervasive public health and safety issue. Common fatigue countermeasures include caffeine or other chemical stimulants. These can be effective in limited circumstances but other non-pharmacological fatigue countermeasures such as non-invasive electrical neuromodulation have shown promise. It is reasonable to suspect that other types of non-invasive neuromodulation may be similarly effective or perhaps even superior. The objective of this research was to evaluate the efficacy of cervical transcutaneous vagal nerve stimulation (ctVNS) to mitigate the negative effects of fatigue on cognition and mood. Two groups (active or sham stimulation) of twenty participants in each group completed 34 h of sustained wakefulness. The ctVNS group performed significantly better on arousal, multi-tasking, and reported significantly lower fatigue ratings compared to sham for the duration of the study. CtVNS could be a powerful fatigue countermeasure tool that is easy to administer, long-lasting, and has fewer side-effects compared to common pharmacological interventions.
Hydrophobic-hydrophilic crown-like structure enables aquatic insects to reside effectively beneath the water surface
Authors: Suzuki Chiaki , Takaku Yasuharu , Suzuki Hiroshi , Ishii Daisuke , Shimozawa Tateo , Nomura Shuhei , Shimomura Masatsugu , Hariyama Takahiko
Published: June 2021

Various insects utilise hydrophobic biological surfaces to live on the surface of water, while other organisms possess hydrophilic properties that enable them to live within a water column. Dixidae larvae reside, without being submerged, just below the water surface. However, little is known about how these larvae live in such an ecological niche. Herein, we use larvae of Dixa longistyla (Diptera: Dixidae) as experimental specimens and reveal their characteristics. A complex crown-like structure on the abdomen consists of hydrophobic and hydrophilic elements. The combination of these contrasting features enables the larvae to maintain their position as well as to move unidirectionally. Their hydrophobic region leverages water surface tension to function as an adhesive disc. By using the resistance of water, the hydrophilic region serves as a rudder during locomotion.
ATP biphasically modulates LLPS of TDP-43 PLD by specifically binding arginine residues
Authors: Dang Mei , Lim Liangzhong , Kang Jian , Song Jianxing
Published: June 2021

Mysteriously neurons maintain ATP concentrations of ~3 mM but whether ATP modulates TDP-43 LLPS remains completely unexplored. Here we characterized the effect of ATP on LLPS of TDP-43 PLD and seven mutants by DIC and NMR. The results revealed: 1) ATP induces and subsequently dissolves LLPS of TDP-43 PLD by specifically binding Arg saturated at 1:100. 2) ATP modifies the conformation-specific electrostatic property beyond just imposing screening effect. 3) Reversibility of LLPS of TDP-43 PLD and further exaggeration into aggregation appear to be controlled by a delicate network composed of both attractive and inhibitory interactions. Results together establish that ATP might be a universal but specific regulator for most, if not all, R-containing intrinsically-disordered regions by altering physicochemical properties, conformations, dynamics, LLPS and aggregation. Under physiological conditions, TDP-43 is highly bound with ATP and thus inhibited for LLPS, highlighting a central role of ATP in cell physiology, pathology and aging.
Unraveling the effects of multiscale network entanglement on empirical systems
Authors: Ghavasieh Arsham , Stella Massimo , Biamonte Jacob , De Domenico Manlio
Published: June 2021

Complex systems are large collections of entities that organize themselves into non-trivial structures, represented as networks. One of their key emergent properties is robustness against random failures or targeted attacks —i.e., the networks maintain their integrity under removal of nodes or links. Here, we introduce network entanglement to study network robustness through a multiscale lens, encoded by the time required for information diffusion through the system. Our measure’s foundation lies upon a recently developed statistical field theory for information dynamics within interconnected systems. We show that at the smallest temporal scales, the node-network entanglement reduces to degree, whereas at extremely large scales, it measures the direct role played by each node in keeping the network connected. At the meso-scale, entanglement plays a more important role, measuring the importance of nodes for the transport properties of the system. We use entanglement as a centrality measure capturing the role played by nodes in keeping the overall diversity of the information flow. As an application, we study the disintegration of empirical social, biological and transportation systems, showing that the nodes central for information dynamics are also responsible for keeping the network integrated.
X-ray free electron laser heating of water and gold at high static pressure
Authors: Husband Rachel J. , McWilliams R. Stewart , Pace Edward J. , Coleman Amy L. , Hwang Huijeong , Choi Jinhyuk , Kim Taehyun , Hwang Gil Chan , Ball Orianna B. , Chun Sae Hwan , Nam Daewoong , Kim Sangsoo , Cynn Hyunchae , Prakapenka Vitali B. , Shim Sang-Heon , Toleikis Sven , McMahon Malcolm I. , Lee Yongjae , Liermann Hanns-Peter
Published: June 2021

Probing of reactive materials such as H2O ices and fluids at the high pressures and temperatures of planetary interiors is limited by unwanted chemical reactions and confinement failure. Faster experiments can mitigate such issues, but the common approach of adiabatic compression limits the conditions achieved. This study demonstrates a fast experimental strategy for the creation and probing of selected extreme states using static compression coupled with ultrafast X-ray laser heating. Indirect X-ray heating of H2O through the use of a gold absorber is evidenced by sample melting inferred from textural changes in the H2O diffraction lines and inter-dispersion of gold and H2O melts. Coupled with numerical analysis of femtosecond energy absorption, thermal equilibration, and heat transfer, all evidence indicates that temperatures in excess of an electron volt have been reached in the H2O at high pressure. Even after repeated heating, samples stayed chemically unchanged from the starting material.
Global coral reef ecosystems exhibit declining calcification and increasing primary productivity
Authors: Davis Kay L. , Colefax Andrew P. , Tucker James P. , Kelaher Brendan P. , Santos Isaac R.
Published: June 2021

Long-term coral reef resilience to multiple stressors depends on their ability to maintain positive calcification rates. Estimates of coral ecosystem calcification and organic productivity provide insight into the environmental drivers and temporal changes in reef condition. Here, we analyse global spatiotemporal trends and drivers of coral reef calcification using a meta-analysis of ecosystem-scale case studies. A linear mixed effects regression model was used to test whether ecosystem-scale calcification is related to seasonality, methodology, calcifier cover, year, depth, wave action, latitude, duration of data collection, coral reef state, Ωar, temperature and organic productivity. Global ecosystem calcification estimated from changes in seawater carbonate chemistry was driven primarily by depth and benthic calcifier cover. Current and future declines in coral cover will significantly affect the global reef carbonate budget, even before considering the effects of sub-lethal stressors on calcification rates. Repeatedly studied reefs exhibited declining calcification of 4.3 ± 1.9% per year (x̄ = 1.8 ± 0.7 mmol m−2 d−1 yr−1), and increasing organic productivity at 3.0 ± 0.8 mmol m−2 d−1per year since 1970. Therefore, coral reef ecosystems are experiencing a shift in their essential metabolic processes of calcification and photosynthesis, and could become net dissolving worldwide around 2054.
Southward decrease in the protection of persistent giant kelp forests in the northeast Pacific
Authors: Arafeh-Dalmau Nur , Cavanaugh Kyle C. , Possingham Hugh P. , Munguia-Vega Adrian , Montaño-Moctezuma Gabriela , Bell Tom W. , Cavanaugh Kate , Micheli Fiorenza
Published: June 2021

Kelp forests are globally important and highly productive ecosystems, yet their persistence and protection in the face of climate change and human activity are poorly known. Here, we present a 35-year time series of high-resolution satellite imagery that maps the distribution and persistence of giant kelp (Macrocystis pyrifera) forests along ten degrees of latitude in the Northeast Pacific Ocean. We find that although 7.7% of giant kelp is protected by marine reserves, when accounting for persistence only 4% of kelp is present and protected. Protection of giant kelp decreases southerly from 20.9% in Central California, USA, to less than 1% in Baja California, Mexico, which likely exacerbates kelp vulnerability to marine heatwaves in Baja California. We suggest that a two-fold increase in the area of kelp protected by marine reserves is needed to fully protect persistent kelp forests and that conservation of climate-refugia in Baja California should be a priority.
Intestinal mucositis precedes dysbiosis in a mouse model for pelvic irradiation
Authors: Segers Charlotte , Mysara Mohamed , Claesen Jürgen , Baatout Sarah , Leys Natalie , Lebeer Sarah , Verslegers Mieke , Mastroleo Felice
Published: June 2021

Pelvic radiotherapy is known to evoke intestinal mucositis and dysbiosis. Currently, there are no effective therapies available to mitigate these injuries, which is partly due to a lack of insight into the events causing mucositis and dysbiosis. Here, the complex interplay between the murine host and its microbiome following pelvic irradiation was mapped by characterizing intestinal mucositis along with extensive 16S microbial profiling. We demonstrated important morphological and inflammatory implications within one day after exposure, thereby impairing intestinal functionality and inducing translocation of intraluminal bacteria into mesenteric lymph nodes as innovatively quantified by flow cytometry. Concurrent 16S microbial profiling revealed a delayed impact of pelvic irradiation on beta diversity. Analysis of composition of microbiomes identified biomarkers for pelvic irradiation. Among them, members of the families Ruminococcaceae, Lachnospiraceae and Porphyromonadaceae were differentially affected. Altogether, our unprecedented findings showed how pelvic irradiation evoked structural and functional changes in the intestine, which secondarily resulted in a microbiome shift. Therefore, the presented in vivo irradiation-gut-microbiome platform allows further research into the pathobiology of pelvic irradiation-induced intestinal mucositis and resultant dysbiosis, as well as the exploration of mitigating treatments including drugs and food supplements.
Corrosion and biocompatibility behaviours of microarc oxidation/phytic acid coated magnesium alloy clips for use in cholecystectomy in a rabbit model
Authors: Zheng Qiuxia , Sun Zongbin , Wang Zhanhui , Duan Tinghe , Xu Kai , Cai Mengmeng , Wang Bi
Published: June 2021

Mg alloys with microarc oxidation/phytic acid composite coatings were tested as degradable ligation clips for ligating the cystic duct and cystic artery.
Iron phosphate mediated magnetite synthesis: a bioinspired approach
Authors: Mirabello Giulia , GoodSmith Matthew , Bomans Paul H. H. , Stegbauer Linus , Joester Derk , de With Gijsbertus
Published: June 2021

Magnetite was synthesized from a mixed valence iron phosphate precursor through a novel mechanism inspired by biomineralization in magnetotactic bacteria.
Comment on “Tuning luminescence of Ca9La(PO4)7:Eu2+via artificially inducing potential luminescence centers” by P. Li, Z. Wang, et al., J. Mater. Chem. C, 2019, 7, 14601
Authors: Lazoryak Bogdan I. , Deyneko Dina V.
Published: June 2021

Li X. et al. did not accurately interpret the experimental data on Eu2+ luminescence due to an erroneous assumption on location of La3+ cations in the β-Ca3(PO4)2-type structure. All theoretical considerations should be taken in a critical manner.
Electrochemical aptasensor forEscherichia coliO157:H7 bacteria detection using a nanocomposite of reduced graphene oxide, gold nanoparticles and polyvinyl alcohol
Authors: Qaanei Masood , Taheri Ramezan Ali , Eskandari Khadijeh
Published: June 2021

A new aptamer-based electrochemical sensor was proposed to detectEscherichia coliO157:H7 (E. coli), one of the most threatening bacterial pathogens, using glassy carbon electrode modified with nanoparticles.
Creation of carbon defects and in-plane holes with the assistance of NH4Br to enhance the photocatalytic activity of g-C3N4
Authors: Yu Guiyang , Zhao Haitao , Xing Chuanwang , Guo Luyan , Li Xiyou
Published: June 2021

A new holey defect-rich g-C3N4 photocatalyst from an NH4Br-assisted programmed heating method exhibits an enhanced photocatalytic performance.
Co-supplementation of camelina oil and a prebiotic is more effective for in improving cardiometabolic risk factors and mental health in patients with NAFLD: a randomized clinical trial
Authors: kavyani Maryam , Saleh-Ghadimi Sevda , Dehghan Parvin , Abbasalizad Farhangi Mahdieh , Khoshbaten Manouchehr
Published: June 2021

The effects of co-supplementing Camelina oil and a prebiotic as modulators of the gut microbiota on cardiometabolic risk factors and mental health in patients with NAFLD.
Antimicrobial activity, chemical composition and cytotoxicity ofLentinus crinitusbasidiocarp
Authors: Bertéli Míria Benetati Delgado , Barros Lillian , Reis Filipa S. , Ferreira Isabel C. F. R. , Glamočlija Jasmina , Soković Marina , Valle Juliana Silveira do , Linde Giani Andrea , Ruiz Suelen Pereira , Colauto Nelson Barros
Published: June 2021

Lentinus crinitus(L.) Fr. (Basidiomycota: Polyporales) is a wild mushroom with several biotechnological applications; however, there are few studies on its chemical composition and antimicrobial activity.
Glycopeptides from Paecilomyces sinensis ameliorate ethanol-induced gastric ulcers via anti-inflammation and the miR-9-5p-MEK/ERK signaling pathway
Authors: Zhou Jiaping , Wang Guoqing , Han Ran , Wang Ruhua , Kong Yu , Zhang Rui , Hou Lihua , Meng Meng
Published: June 2021

The aim of this study was to investigate the immunomodulatory effect and mechanism of the glycopeptides from Paecilomyces sinensis (CPS-II) on ethanol induced ulcers in mice.
A systematic study on the chemical diversity and efficacy of the inflorescence and succulent stem of Cynomorium songaricum
Authors: Zheng Yan , Sun Xiao , Miao Yujing , Qin Shunwang , Jiang Yuan , Zhang Xiang , Huang Linfang
Published: June 2021

Cynomorium songaricum is a medicinal, edible, and endangered plant species.
On the myth of “red/near-IR carbon quantum dots” from thermal processing of specific colorless organic precursors
Authors: Liang Weixiong , Wang Ping , Meziani Mohammed J. , Ge Lin , Yang Liju , Patel Amankumar K. , Morgan Sabina O. , Sun Ya-Ping
Published: June 2021

The thermal processing of specific precursor mixtures under relatively mild conditions does not result in “red/near-IR carbon dots” as previously claimed, but instead chemical reactions for molecular chromophores of red/near-IR absorptions.
Synthesis of centimeter-scale high-quality polycrystalline hexagonal boron nitride films from Fe fluxes
Authors: Li Yifei , Wen Xin , Tan Changjie , Li Ning , Li Ruijie , Huang Xinyu , Tian Huifeng , Yao Zhixin , Liao PeiChi , Yu Shulei , Liu Shizhuo , Li Zhenjiang , Guo Junjie , Huang Yuan , Gao Peng , Wang Lifen , Bai Shulin , Liu Lei
Published: June 2021

We report the synthesis of centimeter-large, micron-thick, and continuous hBN films by single-metal Fe flux growth. The narrow Raman line width and ultrahigh thermal conductivity demonstrate high crystal quality and low defect density.
Rhodium(iii)-catalyzed C–H/C–F activation sequence: expedient and divergent synthesis of 2-benzylated indoles and 2,2′-bis(indolyl)methanes
Authors: Shu Bing , Chen Shao-Yong , Deng Nan-Xiang , Zheng Tao , Xie Hui , Xie Xiao-Ling , Wu Jia-Qiang , Cao Hua , Zhang Shang-Shi
Published: June 2021

A novel method for the construction of fluorinated 2-benzylated indoles and 2,2’-bis(indolyl)methanes was developed via Rh(iii)-catalyzed C–H/C–F activation of arenes with employing 3,3-difluoro-2-exo-methylidene indolines as cross-coupling partner.
Ground- and excited-state characteristics in photovoltaic polymer N2200
Authors: Wen Guanzhao , Zou Xianshao , Hu Rong , Peng Jun , Chen Zhifeng , He Xiaochuan , Dong Geng , Zhang Wei
Published: June 2021

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.
The uptake mechanism of palladium ions into Prussian-blue nanoparticles in a nitric acid solution toward application for the recycling of precious metals from electronic and nuclear wastes
Authors: Onoe Jun , Watanabe Shinta , Masuda Hideki , Inaba Yusuke , Harigai Miki , Takeshita Kenji
Published: June 2021

The uptake mechanism of palladium ions into Prussian-blue nanoparticles in a nitric acid solution was investigatedviahigh-resolution TEM, ICP-AES, powder XRD, and UV-Vis-NIR spectroscopy in combination with first principles calculations.
Blue nanocomposites coated with an ionic liquid polymer for electrophoretic displays
Authors: Hu Yue , Al-Shujaa Salah Ahmed Sarhan , Zhen Bin , Zhang Yaping , Li Xianggao , Feng Yaqing
Published: June 2021

Electrophoretic display (EPD) is a type of flexible display which has attracted wide attention.
Steric effects vs. electron delocalization: a new look into the stability of diastereomers, conformers and constitutional isomers
Authors: Datta Sopanant , Limpanuparb Taweetham
Published: June 2021

The prevalence of a chemical formula in which its Z configuration, gauche conformation or meta isomer is the most stable form is derived from over ten thousand chemical structures. The instance of steric prediction failure is surprisingly common.
A simple and cost-effective paper-based and colorimetric dual-mode detection of arsenic(iii) and lead(ii) based on glucose-functionalized gold nanoparticles
Authors: Sahu Bhuneshwari , Kurrey Ramsingh , Deb Manas Kanti , Shrivas Kamlesh , Karbhal Indrapal , Khalkho Beeta Rani
Published: June 2021

We report a simple and cost-effective paper-based and colorimetric dual-mode detection of As(iii) and Pb(ii) based on glucose-functionalized gold nanoparticles under optimized conditions.
Direct synthesis of amides and imines by dehydrogenative homo or cross-coupling of amines and alcohols catalyzed by Cu-MOF
Authors: Anbardan Soheil Zamani , Mokhtari Javad , Yari Ahmad , Bozcheloei Abolfazl Hassani
Published: June 2021

Oxidative dehydrogenative homo or cross-coupling of amines with alcohols to imines and amides was achieved with high to moderate yields at room temperature using Cu-MOF as an efficient and recyclable heterogeneous catalyst.
Consequences of gamma-ray irradiation on structural and electronic properties of PEDOT:PSS polymer in air and vacuum environments
Authors: Anbalagan Aswin kumar , Gupta Shivam , Chaudhary Mayur , Kumar Rishi Ranjan , Chueh Yu-Lun , Tai Nyan-Hwa , Lee Chih-Hao
Published: June 2021

Effects of gamma-ray irradiation (up to 3 kGy) on the structural and electronic properties of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), irradiated in air and vacuum environments are systematically investigated.
Osmium(ii) tethered half-sandwich complexes: pH-dependent aqueous speciation and transfer hydrogenation in cells
Authors: Infante-Tadeo Sonia , Rodríguez-Fanjul Vanessa , Habtemariam Abraha , Pizarro Ana M.
Published: June 2021

New Os(ii) half-sandwich complexes bearing a pendant alcohol prompt reversible tether-ring formation upon aquation, protecting Os against deactivation. Excitingly, these complexes mediate hydrogenation of pyruvate to lactate inside cancer cells.
Photomediated core modification of organic photoredox catalysts in radical addition: mechanism and applications
Authors: Zhang Yajun , Jiang Dandan , Fang Zheng , Zhu Ning , Sun Naixian , He Wei , Liu Chengkou , Zhao Lili , Guo Kai
Published: June 2021

Photomediated core modification of organic photocatalysts through a radical/radical cation cross-coupling process enables the ability to stabilize radical ions and prevent undesirable side reactions.
Ensemble effects in Cu/Au ultrasmall nanoparticles control the branching point for C1 selectivity during CO2 electroreduction
Authors: Shang Hongyu , Kim Dongjoon , Wallentine Spencer K. , Kim Minkyu , Hofmann Daniel M. , Dasgupta Runiya , Murphy Catherine J. , Asthagiri Aravind , Baker L. Robert
Published: June 2021

Bimetallic catalysts provide opportunities to overcome scaling laws governing C1 selectivity of CO2 reduction (CO2R).
Materials and system design for direct electrochemical CO2 conversion in capture media
Authors: Zhang Shuzhen , Chen Celia , Li Kangkang , Yu Hai , Li Fengwang
Published: June 2021

Integration of upstream CO2 capture and downstream electrochemical conversion by direct electrolysis of CO2 capture media offers a potential solution to energy- and cost-efficient utilisation of CO2.
Insights into the magnetism and phase transitions of organic radical-based materials
Authors: Deumal Mercè , Vela Sergi , Fumanal Maria , Ribas-Arino Jordi , Novoa Juan J.
Published: June 2021

Organic radicals have been consistently regarded as promising building blocks for the next generation of applied materials. Here, we discuss the insight gained from computational modelling into their magnetism and phase transitions.
Layer number dependent exciton dissociation and carrier recombination in 2D Ruddlesden–Popper halide perovskites
Authors: Lu Junlin , Chen Weijian , Zhou Chunhua , Yang Shuang , Wang Chong , Wang Rongfei , Wang Xin , Gan Zhixing , Jia Baohua , Wen Xiaoming
Published: June 2021

Different dynamics of excitons and free carriers in 2D Ruddlesden–Popper halide perovskites with layer numbers of n = 1 and n ≥ 2.
Multiple functional base-induced highly ordered graphene aerogels
Authors: Dai Dongfang , Zhou Yan , Xiao Wenqiu , Hao Zhenliang , Zhang Hui , Wang Jie , Cai Jinming
Published: June 2021

Highly ordered graphene aerogels can be obtained easily by a base-induced method with high compressive strength, stable force-electrical conversion characteristics and an ultra-fast adsorption rate which is suitable for stress/strain sensors and environmental remediation.
Revisiting the tension between fast bars and the ΛCDM paradigm
Authors: Fragkoudi F. , Grand R. J. J. , Pakmor R. , Springel V. , White S. D. M. , Marinacci F. , Gomez F. A. , Navarro J. F.
Published: June 2021

The pattern speed with which galactic bars rotate is intimately linked to the amount of dark matter in the inner regions of their host galaxies. In particular, dark matter haloes act to slow down bars via torques exerted through dynamical friction. Observational studies of barred galaxies tend to find that bars rotate fast, while hydrodynamical cosmological simulations of galaxy formation and evolution in the Lambda cold dark matter (ΛCDM) framework have previously found that bars slow down excessively. This has led to a growing tension between fast bars and the ΛCDM cosmological paradigm. In this study we revisit this issue, using the Auriga suite of high-resolution, magneto-hydrodynamical cosmological zoom-in simulations of galaxy formation and evolution in the ΛCDM framework, finding that bars remain fast down to z = 0. In Auriga, bars form in galaxies that have higher stellar-to-dark matter ratios and are more baryon-dominated than in previous cosmological simulations; this suggests that in order for bars to remain fast, massive spiral galaxies must lie above the commonly used abundance matching relation. While this reduces the aforementioned tension between the rotation speed of bars and ΛCDM, it accentuates the recently reported discrepancy between the dynamically inferred stellar-to-dark matter ratios of massive spirals and those inferred from abundance matching. Our results highlight the potential of using bar dynamics to constrain models of galaxy formation and evolution.
Möglichkeiten und Grenzen der Nutzung kleiner Zyklotrone bei der Produktion medizinisch relevanter Radionuklide
Authors: Neumaier Bernd , Spahn Ingo , Qaim Syed M.
Published: June 2021

Radionuklide für die Bildgebung sowie für die interne Radiotherapie werden in Kernreaktoren sowie an Zyklotronen erzeugt. In diesem Beitrag sollen verschiedene Optionen, Radionuklide an einem kleinen medizinischen Zyklotron (Ep ≤ 18 MeV; Ed ≤ 9 MeV) zu erzeugen, diskutiert werden. Neben der Routineproduktion kurzlebiger „Standard“-Positronenstrahler, wie 11C, 15O und 18F, können auch zahlreiche „Nicht-Standard“-Positronenstrahler, wie 64Cu, 86Y, 89Zr usw., für weitere Anwendungen in der Positronenemissionstomographie (PET) in ausreichender Menge hergestellt werden. Dies setzt voraus, dass ein geeignetes Targetsystem zur Bestrahlung von angereichertem Targetmaterial zur Verfügung steht. Prinzipiell ist es außerdem möglich, einige SPECT-Radionuklide (67Ga, 111In, 123I) sowie Therapienuklide (67Cu, 103Pd, 186Re) in geringen Mengen zu produzieren.
Radiotracer in Kombination mit Magnetresonanz-Kontrastmittel für die simultane MR-PET-Bildgebung
Authors: Ermert Johannes
Published: June 2021

Moderne bildgebende Verfahren der medizinischen Diagnostik, wie die Magnetresonanz-Tomographie (MRT) und die Positronen-Emissions-Tomografie (PET), erlauben eine immer präzisere und differenziertere Untersuchung von Krankheiten. Neben dem reinen PET- bzw. MRT-Ansatz befassen sich neue Methoden mit der simultanen PET-MR-Bildgebung, die erst durch die Entwicklung hybrider PET-MRT-Scanner ermöglicht wurde. Diese komplementären Bildgebungsverfahren kombinieren dabei in synergistischer Weise die hohe Auflösung durch MRT mit der großen Sensitivität durch die PET-Methode. Eine Möglichkeit, die Synergie beider Techniken zu nutzen, besteht darin, bereits klinisch etablierte PET-Radiopharmaka mit zugelassenen, paramagnetischen MR-Kontrastmitteln zu kombinieren. Diese Methode wurde in zahlreichen präklinischen und klinischen Studien untersucht. Eine alternative und elegantere Möglichkeit ist die Einführung beider Modalitäten in einer einzigen Kontrastsonde für die nicht invasive bimodale Bildgebung. Hier sind verschiedene Ansätze entwickelt worden, die jedoch umfangreichere Entwicklungsarbeit erfordern. Diese multifunktionellen Kontrastsonden wurden daher bislang nur in präklinischen Studien eingesetzt.
Management Challenges and Outcomes of Traumatic Brain Injury due to Bear Maul in Tribal Areas of Chhattisgarh, India—Man versus Wild
Authors: Borde Praveen , Kumar Sanjeev , Sahana Debabrata , Rathore Lavlesh , Jain Amit , Tawari Manish , Sahu Rajiv
Published: June 2021

Objectives Neurosurgeons working in the vicinity of tribal areas face traumatic brain injury (TBI) cases due to bear maul which is on the rise in Chhattisgarh. Most of the literature is focused on the management of maxillofacial injuries. This study intends to describe the challenges in management and outcomes of TBI due to bear maul.

Materials and Methods A retrospective review was conducted from May 2018 to April 2020. The patients without TBI were excluded. The variables studied were age, gender, timing and mode of conflict, Glasgow coma scale (GCS) at arrival, injury spectrum, hospital stay, the modified Rankin score (MRS), mini mental status examination (MMSE), and surgical site infections (SSI).

Results Twenty-eight patients were eligible for analysis. The mean age of presentation was 40.67 ± 13.99 years. There were 23 males (82.15%). Most common time of attack was during dawn (n = 11, 39.28%) followed by dusk (n = 9, 32.14%) and day (n = 8, 28.57%) time. Provoked conflicts were seen in 64.28%. The mean preoperative GCS was 11.07 ± 3.54 and hospital stay was 18.71 ± 9.51 days. Skull fractures were found in 24/28 (85.71%). The mean MRS was 1.67 ± 1.38 at a mean follow-up of 14.53 ± 6.59 months. Favorable outcome (MRS ≤ 2) was seen in 64.28% of patients. The mean MMSE score was 22.28 ± 5.36. Eight patients developed SSI (28.57%).

Conclusion Outcomes of TBI due to bear maul depend on preoperative GCS. There are higher incidences of skull fractures and SSI. Humans need to avoid infiltration in wildlife territory to reduce the number of conflicts.
Bleeding Post Constriction Ring Release Surgery Causing Lower Limb Ischemia in an Infant with Undetected Hemophilia B
Authors: Sabapathy S. Raja , Mohan Monusha , Venkateswaran G. , Ranjani Shashi
Published: June 2021

Bleeding in the immediate postoperative period causing compromised limb circulation is an alarming complication. It is known to occur in coagulation disorders like hemophilia. When such complications happen in a child with no previous history of bleeding problems, one has to have a low threshold for suspecting a coagulation disorder. Repeated diffuse bleeding in the whole of the surgical wound with no specific bleeders must raise the suspicion and appropriate laboratory tests must immediately be ordered. Bleeding in coagulation disorders can stop only with supplementation of the appropriate missing clotting factor. Early diagnosis is important to avoid excess morbidity. We are reporting a 6-month-old child who underwent surgery for constriction ring syndrome in the limbs with Z-plasty and developed impending limb ischemia due to bleeding in the immediate postoperative period. The article emphasizes the need to think of the possibility while encountering recurrent bleeding in the postoperative period.
Prognosis of Distant Metastatic Sites in Anterior Skull Base Malignancies
Authors: Kraft Daniel O. , Carey Ryan M. , Prasad Aman , Rajasekaran Karthik , Kohanski Michael A. , Kennedy David W. , Palmer James N. , Adappa Nithin D. , Newman Jason G. , Brant Jason A.
Published: June 2021

Objective This study aimed to provide information regarding the prognosis of patients presenting with metastatic anterior skull base malignancies based upon histology and site of distant metastasis (DM).

Patients and Methods The National Cancer Database was queried for patients with anterior skull base malignant neoplasms with DM.

Outcomes Prognosis was compared between site of DM and tumor histologies. A multivariable Cox proportional hazards model was used to identify prognostic factors for overall survival (OS).

Results A total of 481 patients were identified. Lung was the most common site of DM (24.9%), followed by bone (22.2%), liver (5.6%), and brain (2.5%). Lung was the most common site for squamous cell carcinoma (SCCa) (28.3%), melanoma (37.7%), and adenoid cystic carcinoma (ACC; 31.4%). The median survival for patients presenting with metastatic disease regardless of tumor histology was 9.0 months (95% confidence interval [CI]: 8.2–10.3), and patients with metastasis to the liver had the best median survival at 15.5 months (95% CI: 10.5–25.6). The median survivals for the most common histologies, SCCa, melanoma, and ACC were 8.2 months (95% CI: 5.5–10.2), 10.5 months (95% CI: 8.7–14.1), and 15.0 months (95% CI: 11.1–61.1), respectively. Multivariable analysis demonstrated worse overall survival (OS) for older patients, higher Charlson-Deyo comorbidity scores, and tumors with higher grade and T stage. Compared with metastasis to bone, lung metastasis had better OS on multivariable analysis (hazard ratio [HR]: 0.70, 95% CI: 0.51–97). Adenoid cystic carcinoma had improved OS compared with SCCa (HR: 0.62, 95% CI: 0.39–99).

Conclusion Tumor histology, metastatic sites, and several disease factors affected prognosis in anterior skull base malignancies with DM.
Membrane-less microbial fuel cell: Monte Carlo simulation and sensitivity analysis for COD removal in dewatered sludge
Authors: Mohd Zaini Makhtar Muaz , Tajarudin Husnul Azan , Samsudin Mohd Dinie Muhaimin , Vadivelu Vel Murugan , Shoparwe Noor Fazliani , Zainuddin Nor ‘Izzah
Published: June 2021

Dewatered sludge is redundantly found in a municipal wastewater treatment plant, and the amount is increasing every year. However, the dewatered sludge could be used to power the membrane-less microbial fuel cell (ML-MFC), which is operated electrochemically via incorporation of electricity producing micro-organisms. The dewatered sludge normally acts as an electron donating substrate. Results showed that the ML-MFC produced voltage at about 927.7 ± 11.24 mV whereby 178.7 mg/L of chemical oxygen demand (COD) was removed after 240 h of incubation period. Nonetheless, voltage and COD removal values obtained from the dewatered sludge in the ML-MFC might differ every time the study is repeated because the availability of maximum biomass of electrogenic bacteria (EB) will be different due to the heterogeneous properties and EB performance inside the ML-MFC. The parametric uncertainty analysis of COD removal was then assessed using Monte Carlo simulation (stochastic variable) to determine the distribution probability affected by the fluctuation and variation of kinetic model parameters. From the study of 100 000 samples tested (simulation), the results show that the substrate removal (S) value ranged from 172.58 to 185.02 mg/L. The impact of each kinetic parameter on the ML-MFC performance was evaluated via sensitivity analysis. It is found that the ML-MFC performance significantly relied on the growth of EB present.
Timeliness of collinear crack propagation in rock mass
Authors: Bao Min , Chen Zhonghui , Zhou Zihan , Zhang Lingfan , Wang Jianming
Published: June 2021

There are a large number of non-penetrating collinear cracks in the rock slope of an open-pit mine. The timeliness of cracks in the rock mass is a problem that cannot be ignored in terms of slope engineering safety. Based on the superposition principle and fracture mechanics, the stress intensity factor of the rock mass crack tip with collinear fractures under biaxial compression was calculated in this study. A mechanical model of rock mass crack propagation with collinear fractures under constant load was established according to the Charles equation. The effects of loading time, crack penetration rate, and crack dip angle on crack propagation along the direction of the rock bridge were analyzed theoretically. The variations in crack propagation with time in the rock mass were examined using a LS-DYNA creep numerical model. The results show that the fracture growth rate changes in three stages over time, progressing through a stable stage, a decreasing stage, and an abrupt stage. A higher crack penetration rate and a larger crack inclination angle cause a higher rock bridge penetration rate in the rock mass. When the crack penetration rate exceeds 74% or the fracture inclination angle is about 60°, the crack expansion directly enters the abrupt stage, and the rock bridge is penetrated. The theoretical analysis results are in close agreement with the numerical results of this work, which validates the proposed age expansion mechanical model for rock masses with non-penetrating collinear fractures.
Beam-based characterization of plasma density in a capillary-discharge waveguide
Authors: Romeo S. , Cesarini M. , Del Dotto A. , Ferrario M. , Galletti M. , Pompili R. , Shpakov V.
Published: June 2021

Next-generation plasma-based accelerators can push electron bunches to gigaelectronvolt energies within centimeter distances. In these devices, the accelerating force is provided by a driver pulse, either a laser pulse or a particle bunch, that loses its energy into the plasma generating huge electric fields up to tens of GV/m. The stability of such fields strongly depends on plasma density, whose exact value should be precisely known and controlled. However, currently available methods based on spectroscopic or interferometric techniques find it very difficult to measure plasma density lower than 1015–16 cm−3 in capillary-discharge waveguides. Here, we present a novel diagnostic tool that allows us to estimate the average density of a plasma capillary by probing it with an ultra-relativistic electron beam. The plasma density and the generated accelerating field are inferred by analyzing the beam longitudinal phase space after its interaction with the plasma. The results are validated by simulations showing excellent agreement.
Comparative analysis of void-containing and all-semiconductor 1.5 µm InP-based photonic crystal surface-emitting laser diodes
Authors: Bian Z. , Rae K. J. , King B. C. , Kim D. , Li G. , Thoms S. , Childs D. T. D. , Gerrard N. D. , Babazadeh N. , Reynolds P. , Grant J. , McKenzie A. F. , Orchard J. R. , Taylor R. J. E. , Hogg R. A.
Published: June 2021

This paper analyzes 2D photonic crystal surface-emitting laser diodes with void-containing and all-semiconductor structures by comparing their simulated mode distribution, band structure, and coupling coefficients. A photonic crystal design with a square lattice and circle atoms is considered.