bluuebunny/crossref_metadata_2025 huggingface dataset:
Preoperative cardiac troponin below the 99th-percentile upper reference limit and 30-day mortality after noncardiac surgery
Authors: Park Jungchan , Hyeon Cheol Won , Lee Seung-Hwa , Lee Sangmin Maria , Yeo Junghyun , Yang Kwangmo , Min Jeong Jin , Lee Jong Hwan , Yang Jeong Hoon , Song Young Bin , Hahn Joo-Yong , Choi Seung-Hyuk , Choi Jin-Ho , Gwon Hyeon-Cheol
Published: October 2020

Preoperative high-sensitivity cardiac troponin (hs-cTn) above the 99th-percentile upper reference limit (URL) is associated with mortality after noncardiac surgery. This study aimed to evaluate whether preoperative hs-cTn concentrations above the lowest limit of detection (LOD) but below the 99th-percentile URL can predict mortality after noncardiac surgery.From January 2010 to April 2019, a total of 12,415 noncardiac surgical patients with preoperative hs-cTn I below the 99th-percentile URL were enrolled. The patients were divided into two groups according to preoperative hs-cTn I concentration: (1) [hs-cTn] below the LOD (6 ng/L), and (2) mildly elevated [hs-cTn] but below the 99th-percentile URL (40 ng/L). The primary outcome was 30-day mortality. Of the 12,415 patients enrolled, 7958 (64.1%) were in the LOD group whereas 4457 (35.9%) were in the mild elevation group. The incidence of 30-day mortality was significantly greater in the mild elevation group (2.1% vs. 4.0% hazard ratio [HR] 1.73; 95% confidence interval [CI] 1.39–2.16; p < 0.001) in the multivariate analyses. The propensity score matched analyses also produced a similar result (2.6% vs. 4.2% HR 1.61; 95% CI 1.26–2.07; p < 0.001). The threshold at which the risk of mortality increased corresponded to a preoperative hs-cTn I ≥ 12 ng/L. Patients with preoperative hs-cTn I above the LOD and below the 99th-percentile URL had greater 30-day mortality after noncardiac surgery.
Transcriptional characterization of conjunctival melanoma identifies the cellular tumor microenvironment and prognostic gene signatures
Authors: Wolf Julian , Auw-Haedrich Claudia , Schlecht Anja , Boneva Stefaniya , Mittelviefhaus Hans , Lapp Thabo , Agostini Hansjürgen , Reinhard Thomas , Schlunck Günther , Lange Clemens A. K.
Published: October 2020

This study characterizes the transcriptome and the cellular tumor microenvironment (TME) of conjunctival melanoma (CM) and identifies prognostically relevant biomarkers. 12 formalin-fixed and paraffin-embedded CM were analyzed by MACE RNA sequencing, including six cases each with good or poor clinical outcome, the latter being defined by local recurrence and/or systemic metastases. Eight healthy conjunctival specimens served as controls. The TME of CM, as determined by bioinformatic cell type enrichment analysis, was characterized by the enrichment of melanocytes, pericytes and especially various immune cell types, such as plasmacytoid dendritic cells, natural killer T cells, B cells and mast cells. Differentially expressed genes between CM and control were mainly involved in inhibition of apoptosis, proteolysis and response to growth factors. POU3F3, BIRC5 and 7 were among the top expressed genes associated with inhibition of apoptosis. 20 genes, among them CENPK, INHA, USP33, CASP3, SNORA73B, AAR2, SNRNP48 and GPN1, were identified as prognostically relevant factors reaching high classification accuracy (area under the curve: 1.0). The present study provides new insights into the TME and the transcriptional profile of CM and additionally identifies new prognostic biomarkers. These results add new diagnostic tools and may lead to new options of targeted therapy for CM.
Investigating the efficacy of the reminder-extinction procedure to disrupt contextual threat memories in humans using immersive Virtual Reality
Authors: Houtekamer Maxime C. , Henckens Marloes J. A. G. , Mackey Wayne E. , Dunsmoor Joseph E. , Homberg Judith R. , Kroes Marijn C. W.
Published: October 2020

Upon reactivation, consolidated memories can enter a temporary labile state and require restabilisation, known as reconsolidation. Interventions during this reconsolidation period can disrupt the reactivated memory. However, it is unclear whether different kinds of memory that depend on distinct brain regions all undergo reconsolidation. Evidence for reconsolidation originates from studies assessing amygdala-dependent memories using cue-conditioning paradigms in rodents, which were subsequently replicated in humans. Whilst studies providing evidence for reconsolidation of hippocampus-dependent memories in rodents have predominantly used context conditioning paradigms, studies in humans have used completely different paradigms such as tests for wordlists or stories. Here our objective was to bridge this paradigm gap between rodent and human studies probing reconsolidation of hippocampus-dependent memories. We modified a recently developed immersive Virtual Reality paradigm to test in humans whether contextual threat-conditioned memories can be disrupted by a reminder-extinction procedure that putatively targets reconsolidation. In contrast to our hypothesis, we found comparable recovery of contextual conditioned threat responses, and comparable retention of subjective measures of threat memory, episodic memory and exploration behaviour between the reminder-extinction and standard extinction groups. Our result provide no evidence that a reminder before extinction can prevent the return of context conditioned threat memories in humans.
A new direction to understand the life cycle of the Japanese pine sawyer considering the selection strategy of instar pathways
Authors: Kim Su Bin , Kim Dong-Soon
Published: October 2020

The Japanese pine sawyer, Monochamus alternatus Hope (Coleoptera: Cerambycidae), transfers the pine wood nematode, Bursaphelenchus xylophilus (Steiner and Buhrer) that causes pine wilt disease (PWD), especially in Asian countries. The key for the control of PWD is primarily focused on vector management. Thus, understanding the exact life history of M. alternatus is required. Since the late 1980s, the life cycle of M. alternatus has been accepted under the assumption that the final larvae pass four instars in the field. This study is revising the previous error for the life cycle hypothesis of M. alternatus by finding various instar pathways, which pathway is defined as the number of instars that larvae pass through prior to pupation. We confirm experimentally that the overwintered fourth or fifth instar larvae directly pupate to emerge as adults, indicating the presence of four and five instar pathways, respectively. The selection of instar pathway might be determined primarily by habitat temperature. This information will be useful to explain the variation of life history in M. alternatus populations worldwide based on the thermal environments, and also can be served to predict the northern distribution limit by applying the threshold degree-days for the completion of four instar pathway.
Changes in diving behaviour and habitat use of provisioned whale sharks: implications for management
Authors: Araujo Gonzalo , Labaja Jessica , Snow Sally , Huveneers Charlie , Ponzo Alessandro
Published: October 2020

Whale shark (Rhincodon typus) tourism is increasingly popular at predictable aggregations around the world, but only a few use provisioning to ensure close interactions. Understanding the effects of provisioning on the behaviour of this endangered species is critical to manage this growing industry. We recorded the diving behaviour and habitat use of juvenile whale sharks (n = 4) for a mean of 49.5 provisioned and 33.8 non-provisioned days using temperature-depth-recorders. We found that time spent at the surface (< 2 m) between 6 am and 1 pm increased ~ sixfold, while timing of deep dives shifted from 4–10 am to 10 am–2 pm, i.e. near or at the end of the provisioning activities. The shift might be related to a need to thermoregulate following a prolonged period of time in warmer water. These changes could have fitness implications for individuals frequently visiting the provisioning site. Based on recorded amount of time spent in warm waters and published Q10 values for ectotherms, we estimate a 7.2 ± 3.7% (range 1.3–17.8%) higher metabolic rate when sharks frequent the provisioning site. The observed behavioural, habitat use, and potential fitness shifts should be considered when developing guidelines for sustainable tourism, particularly in light of new provisioning sites developing elsewhere.
Serum ammonia is a strong prognostic factor for patients with acute-on-chronic liver failure
Authors: Hu Chenxia , Huang Kaizhou , Zhao Lingfei , Zhang Fen , Wu Zhongwen , Li Lanjuan
Published: October 2020

Ammonia is thought to be central to the pathogenesis of hepatic encephalopathy (HE), but its prognostic role in acute-on-chronic liver failure (ACLF) is still unknown. We aimed to determine the association between serum ammonia level and short-term prognosis in ACLF. Furthermore, we performed an in-depth evaluation of the independent effect of serum ammonia level on the short-term prognosis of hepatitis B virus (HBV) reactivation-induced ACLF patients. We identified 174 patients as part of prospective observational studies in patients with ACLF. Plasma ammonia levels were measured on admission, and several prognostic scores were used to determine the prognostic effect of ammonia. The 28-day patient survival was determined. Receiver operating characteristic analysis was used to identify the cut-off points for ammonia values, and multivariable analysis was performed using the Cox proportional hazard regression model. Plasma ammonia was significantly higher in nonsurvivors (83.53 ± 43.78 versus 67.13 ± 41.77 µmol/L, P = 0.013), and ACLF patients with hyperammonemia had significantly higher 28-day mortality than those without hyperammonemia. Ammonia was also closely related to ACLF grade (P < 0.001) and organ failure, including liver (P = 0.048), coagulation (P < 0.001) and brain (P < 0.001). HBV reactivation serves as the main precipitating factor in the ACLF population. Subgroup analysis showed that ammonia is also a strong prognostic factor in the HBV reactivation-induced ACLF population. Ammonia level is closely correlated with failure of other organs and is an independent risk factor for mortality in ACLF and the special population defined as HBV reactivation-related ACLF. Based on the results from our study, we measured serum ammonia in the population with ACLF, which strongly indicates their prognosis. It serves as an important biomarker and a therapeutic target.
Flexible thermoelectric films formed using integrated nanocomposites with single-wall carbon nanotubes and Bi2Te3 nanoplates via solvothermal synthesis
Authors: Yabuki Hayato , Yonezawa Susumu , Eguchi Rikuo , Takashiri Masayuki
Published: October 2020

Single-wall carbon nanotubes (SWCNTs) and Bi2Te3 nanoplates are very promising thermoelectric materials for energy harvesting. When these two materials are combined, the resulting nanocomposites exhibit high thermoelectric performance and excellent flexibility. However, simple mixing of these materials is not effective in realizing high performance. Therefore, we fabricated integrated nanocomposites by adding SWCNTs during solvothermal synthesis for the crystallization of Bi2Te3 nanoplates and prepared flexible integrated nanocomposite films by drop-casting. The integrated nanocomposite films exhibited high electrical conductivity and an n-type Seebeck coefficient owing to the low contact resistance between the nanoplates and SWCNTs. The maximum power factor was 1.38 μW/(cm K2), which was 23 times higher than that of a simple nanocomposite film formed by mixing SWCNTs during drop-casting, but excluding solvothermal synthesis. Moreover, the integrated nanocomposite films maintained their thermoelectric properties through 500 bending cycles.
ExoMars Raman Laser Spectrometer (RLS): development of chemometric tools to classify ultramafic igneous rocks on Mars
Authors: Veneranda Marco , Lopez-Reyes Guillermo , Manrique-Martinez Jose Antonio , Sanz-Arranz Aurelio , Lalla Emmanuel , Konstantinidis Menelaos , Moral Andoni , Medina Jesús , Rull Fernando
Published: October 2020

This work aims to evaluate whether the multi-point analysis the ExoMars Raman Laser Spectrometer (RLS) will perform on powdered samples could serve to classify ultramafic rocks on Mars. To do so, the RLS ExoMars Simulator was used to study terrestrial analogues of Martian peridotites and pyroxenites by applying the operational constraints of the Raman spectrometer onboard the Rosalind Franklin rover. Besides qualitative analysis, RLS-dedicated calibration curves have been built to estimate the relative content of olivine and pyroxenes in the samples. These semi-quantitative results, combined with a rough estimate of the concentration ratio between clino- and ortho-pyroxene mineral phases, were used to classify the terrestrial analogues. XRD data were finally employed as reference to validate Raman results. As this preliminary work suggests, ultramafic rocks on Mars could be effectively classified through the chemometric analysis of RLS data sets. After optimization, the proposed chemometric tools could be applied to the study of the volcanic geological areas detected at the ExoMars landing site (Oxia Planum), whose mineralogical composition and geological evolution have not been fully understood.
Decreasing incidence of registered hydatidiform moles in Denmark 1999–2014
Authors: Lund Helle , Vyberg Mogens , Eriksen Helle Højmark , Grove Anni , Jensen Annette Østergaard , Sunde Lone
Published: October 2020

Incidences of hydatidiform mole (HM) registered in European countries varies from 0.98/1000 to 2.17/1000 deliveries, while higher incidences have been reported in other parts of the world. We calculated the incidence by selecting data on HMs classified as ”first”, “second” and “third” from 01.01.1999 to 31.12.2014 registered in the Danish Pathology Registry, which we previously showed to be the most complete data source on the number of HMs in Denmark. In the study period, 1976 first HMs were registered; 1080 (55%) were classified as PHMs (partial HMs) and 896 (45%) as NPHMs (HMs not registered as PHMs). The average incidence of HM was 1.98/1000 deliveries. The incidence of PHM was 1.08/1000 deliveries and the incidence of NPHM was 0.90/1000 deliveries. Forty HMs were registered as second HMs; 85% (34/40) were of the same histopathological type as the first HM. The registered incidence of HM decreased from 2.55/1000 deliveries in 1999 to 1.61/1000 deliveries in 2014 (p < 0.005). The decrease in the incidence of HM was identical with a decrease in the incidence of PHM. New medical practices such as medical abortion and only forwarding selected pregnancy products for histopathologic examination may cause a declining number of HMs registered.
Toward a more reliable characterization of fractal properties of the cerebral cortex of healthy subjects during the lifespan
Authors: Marzi Chiara , Giannelli Marco , Tessa Carlo , Mascalchi Mario , Diciotti Stefano
Published: October 2020

The cerebral cortex manifests an inherent structural complexity of folding. The fractal geometry describes the complexity of structures which show self-similarity in a proper interval of spatial scales. In this study, we aimed at evaluating in-vivo the effect of different criteria for selecting the interval of spatial scales in the estimation of the fractal dimension (FD) of the cerebral cortex in T1-weighted magnetic resonance imaging (MRI). We compared four different strategies, including two a priori selections of the interval of spatial scales, an automated selection of the spatial scales within which the cerebral cortex manifests the highest statistical self-similarity, and an improved approach, based on the search of the interval of spatial scales which presents the highest rounded R2adj coefficient and, in case of equal rounded R2adj coefficient, preferring the widest interval in the log–log plot. We employed two public and international datasets of in-vivo MRI scans for a total of 159 healthy subjects (age range 6–85 years). The improved approach showed strong associations of FD with age and yielded the most accurate machine learning models for individual age prediction in both datasets. Our results indicate that the selection of the interval of spatial scales of the cerebral cortex is thus critical in the estimation of FD.
Multicentre, retrospective study of the efficacy and safety of nivolumab for recurrent and metastatic salivary gland carcinoma
Authors: Niwa Kazutomo , Kawakita Daisuke , Nagao Toshitaka , Takahashi Hideaki , Saotome Takashi , Okazaki Masashi , Yamazaki Keisuke , Okamoto Isaku , Hirai Hideaki , Saigusa Natsuki , Fushimi Chihiro , Masubuchi Tatsuo , Miura Kouki , Okazaki Shin-ichi , Matsui Hirooki , Okada Takuro , Iwaki Sho , Matsuki Takashi , Hanyu Kenji , Tsukahara Kiyoaki , Oridate Nobuhiko , Tada Yuichiro
Published: October 2020

Although immune-checkpoint inhibitors (ICIs) are effective against various cancers, little is known regarding their role in salivary gland carcinoma (SGC) treatment. Therefore, we evaluated the efficacy and safety of nivolumab monotherapy in patients with recurrent and/or metastatic SGC. In this multicentre retrospective study, nivolumab (240 mg) was administered every 2 weeks. The overall response rate (ORR), progression-free survival (PFS), overall survival (OS), and safety were examined; the correlation between treatment outcomes and clinicopathological factors was analysed. Twenty-four patients were enrolled; the most common histopathology was salivary duct carcinoma. Eleven tumours were PD-L1-positive; no tumour was microsatellite instability-high. The ORR was 4.2%, and the median PFS and OS were 1.6 and 10.7 months, respectively. One patient continued nivolumab for 28 months without disease progression. One patient showed grade 4 increase in creatine phosphokinase levels and grade 3 myositis. Biomarker analysis revealed significantly increased OS in patients with performance status of 0; modified Glasgow prognostic score of 0; low neutrophil-to-lymphocyte ratio, lactate dehydrogenase, and C-reactive protein; and high lymphocyte-to-monocyte ratio and in patients who received systemic therapy following nivolumab. Although nivolumab’s efficacy against SGC was limited, some patients achieved long-term disease control. Further studies are warranted on ICI use for SGC.
Early trajectories of benthic coral reef communities following the 2015/16 coral bleaching event at remote Aldabra Atoll, Seychelles
Authors: Koester Anna , Migani Valentina , Bunbury Nancy , Ford Amanda , Sanchez Cheryl , Wild Christian
Published: October 2020

Documenting post-bleaching trajectories of coral reef communities is crucial to understand their resilience to climate change. We investigated reef community changes following the 2015/16 bleaching event at Aldabra Atoll, where direct human impact is minimal. We combined benthic data collected pre- (2014) and post-bleaching (2016–2019) at 12 sites across three locations (lagoon, 2 m depth; seaward west and east, 5 and 15 m depth) with water temperature measurements. While seaward reefs experienced relative hard coral reductions of 51–62%, lagoonal coral loss was lower (− 34%), probably due to three-fold higher daily water temperature variability there. Between 2016 and 2019, hard coral cover did not change on deep reefs which remained dominated by turf algae and Halimeda, but absolute cover on shallow reefs increased annually by 1.3% (east), 2.3% (west) and 3.0% (lagoon), reaching, respectively, 54%, 68% and 93% of the pre-bleaching cover in 2019. Full recovery at the shallow seaward locations may take at least five more years, but remains uncertain for the deeper reefs. The expected increase in frequency and severity of coral bleaching events is likely to make even rapid recovery as observed in Aldabra’s lagoon too slow to prevent long-term reef degradation, even at remote sites.
The role of environmental factors on transmission rates of the COVID-19 outbreak: an initial assessment in two spatial scales
Authors: Poirier Canelle , Luo Wei , Majumder Maimuna S. , Liu Dianbo , Mandl Kenneth D. , Mooring Todd A. , Santillana Mauricio
Published: October 2020

First identified in Wuhan, China, in December 2019, a novel coronavirus (SARS-CoV-2) has affected over 16,800,000 people worldwide as of July 29, 2020 and was declared a pandemic by the World Health Organization on March 11, 2020. Influenza studies have shown that influenza viruses survive longer on surfaces or in droplets in cold and dry air, thus increasing the likelihood of subsequent transmission. A similar hypothesis has been postulated for the transmission of COVID-19, the disease caused by SARS-CoV-2. It is important to propose methodologies to understand the effects of environmental factors on this ongoing outbreak to support decision-making pertaining to disease control. Here, we examine the spatial variability of the basic reproductive numbers of COVID-19 across provinces and cities in China and show that environmental variables alone cannot explain this variability. Our findings suggest that changes in weather (i.e., increase of temperature and humidity as spring and summer months arrive in the Northern Hemisphere) will not necessarily lead to declines in case counts without the implementation of drastic public health interventions.
Microbial communities associated with the camel tick, Hyalomma dromedarii: 16S rRNA gene-based analysis
Authors: Perveen Nighat , Muzaffar Sabir Bin , Vijayan Ranjit , Al-Deeb Mohammad Ali
Published: October 2020

Hyalomma dromedarii is an important blood-feeding ectoparasite that affects the health of camels. We assessed the profile of bacterial communities associated with H. dromedarii collected from camels in the eastern part of the UAE in 2010 and 2019. A total of 100 partially engorged female ticks were taken from tick samples collected from camels (n = 100; 50/year) and subjected to DNA extraction and sequencing. The 16S rRNA gene was amplified from genomic DNA and sequenced using Illumina MiSeq platform to elucidate the bacterial communities. Principle Coordinates Analysis (PCoA) was conducted to determine patterns of diversity in bacterial communities. In 2010 and 2019, we obtained 899,574 and 781,452 read counts and these formed 371 and 191 operational taxonomic units (OTUs, clustered at 97% similarity), respectively. In both years, twenty-five bacterial families with high relative abundance were detected and the following were the most common: Moraxellaceae, Enterobacteriaceae, Staphylococcaceae, Bacillaceae, Corynebacteriaceae, Flavobacteriaceae, Francisellaceae, Muribaculaceae, Neisseriaceae, and Pseudomonadaceae. Francisellaceae and Enterobacteriaceae coexist in H. dromedarii and we suggest that they thrive under similar conditions and microbial interactions inside the host. Comparisons of diversity indicated that microbial communities differed in terms of richness and evenness between 2010 and 2019, with higher richness but lower evenness in communities in 2010. Principle coordinates analyses showed clear clusters separating microbial communities in 2010 and 2019. The differences in communities suggested that the repertoire of microbial communities have shifted. In particular, the significant increase in dominance of Francisella and the presence of bacterial families containing pathogenic genera shows that H. dromedarii poses a serious health risk to camels and people who interact with them. Thus, it may be wise to introduce active surveillance of key genera that constitute a health hazard in the livestock industry to protect livestock and people.
A scoping review on incentives for adoption of sustainable agricultural practices and their outcomes
Authors: Piñeiro Valeria , Arias Joaquín , Dürr Jochen , Elverdin Pablo , Ibáñez Ana María , Kinengyere Alison , Opazo Cristian Morales , Owoo Nkechi , Page Jessica R. , Prager Steven D. , Torero Maximo
Published: October 2020

The increasing pressure on agricultural production systems to achieve global food security and prevent environmental degradation necessitates a transition towards more sustainable practices. The purpose of this scoping review is to understand how the incentives offered to farmers motivate the adoption of sustainable agricultural practices and, ultimately, how and whether they result in measurable outcomes. To this end, this scoping review examines the evidence of nearly 18,000 papers on whether incentive-based programmes lead to the adoption of sustainable practices and their effect on environmental, economic and productivity outcomes. We find that independent of the incentive type, programmes linked to short-term economic benefit have a higher adoption rate than those aimed solely at providing an ecological service. In the long run, one of the strongest motivations for farmers to adopt sustainable practices is perceived benefits for either their farms, the environment or both. Beyond this, the importance of technical assistance and extension services in promoting sustainable practices emerges strongly from this scoping review. Finally, we find that policy instruments are more effective if their design considers the characteristics of the target population, and the associated trade-offs between economic, environmental and social outcomes.
A scoping review of interventions for crop postharvest loss reduction in sub-Saharan Africa and South Asia
Authors: Stathers Tanya , Holcroft Deirdre , Kitinoja Lisa , Mvumi Brighton M. , English Alicia , Omotilewa Oluwatoba , Kocher Megan , Ault Jessica , Torero Maximo
Published: October 2020

Reducing postharvest losses (PHLs) of food crops is a critical component of sustainably increasing agricultural productivity. Many PHL reduction interventions have been tested, but synthesized information to support evidence-based investments and policy is scarce. In this study, PHL reduction interventions for 22 crops across 57 countries in sub-Saharan Africa and South Asia from the 1970s to 2019 were systematically reviewed. Screening of the 12,907 studies identified resulted in a collection of 334 studies, which were used to synthesize the evidence and construct an online open-access database, searchable by crop, country, postharvest activity and intervention type. Storage technology interventions mainly targeting farmers dominated (83% of the studies). Maize was the most studied crop (25%). India had the most studies (32%), while 25 countries had no studies. This analysis indicates an urgent need for a systematic assessment of interventions across the entire value chain over multiple seasons and sites, targeting stakeholders beyond farmers. The lack of studies on training, finance, infrastructure, policy and market interventions highlights the need for interventions beyond technologies or handling practice changes. Additionally, more studies are needed connecting the impact of PHL reductions to social, economic and environmental outcomes related to Sustainable Development Goals. This analysis provides decision makers with data for informed policy formulation and prioritization of investments in PHL reduction.
An optomicrofluidic device for the detection and isolation of drop-encapsulated target cells in single-cell format
Authors: Gaikwad R. , Sen A. K.
Published: October 2020

We present novel technology for the optofluidic detection and electro-coalescence-based sorting (selective isolation) of target cells in single-cell format from background cells, utilizing microdroplet encapsulation.
Multiplex real-time PCR using double-strand primers and probes for the detection of nucleic acids
Authors: Zhang Zhang , Yao Juan , Huang Xiaoling , Zhang Li , Wang Ting , Weng Zhi , Xie Guoming
Published: October 2020

Double strand primer-mediated strand displacement reaction was used for the construction of multiplex RT-PCR; double strand primers act as a function of both the primer and probe.
Gas-generating mesoporous silica nanoparticles with rapid localized drug release for enhanced chemophotothermal tumor therapy
Authors: Zhang Zhiming , Zhang Li , Huang Chenlu , Guo Qing , Zuo Yueyue , Wang Nannan , Jin Xu , Zhang Linhua , Zhu Dunwan
Published: October 2020

Chemophotothermal combination therapy has emerged as a novel and promising strategy to treat cancer.
Liposomes modified with bio-substances for cancer treatment
Authors: Li Yanan , Cong Hailin , Wang Song , Yu Bing , Shen Youqing
Published: October 2020

In recent years, liposomes have been used in the field of biomedicine and have achieved many significant results.
Facile one-pot synthesis of 2-aminoindoles from simple anilines and ynamides
Authors: Kim Young Ho , Yoo Huen Ji , Youn So Won
Published: October 2020

A highly effective and facile one-pot reaction has been developed for the synthesis of 2-aminoindoles directly from anilines and ynamides.
Unusually selective synthesis of chlorohydrooligosilanes
Authors: Lainer Thomas , Fischer Roland , Leypold Mario , Holthausen Michael , Wunnicke Odo , Haas Michael , Stueger Harald
Published: October 2020

Novel methods were developed for the synthesis of partially chlorinated higher silicon hydrides with unexpected selectivity.
The role of non-covalent intermolecular interactions on the diversity of crystal packing in supramolecular dihalopyridine–silver(i) nitrate complexes
Authors: Roca Sunčica , Hok Lucija , Vianello Robert , Borovina Mladen , Đaković Marijana , Karanović Ljiljana , Vikić-Topić Dražen , Popović Zora
Published: October 2020

The crystal structures of six novel Ag+ complexes with NO3− and dihalopyridines revealed intriguing differences that were interpreted by DFT calculations.
Seeded growth of high-quality transition metal dichalcogenide single crystals via chemical vapor transport
Authors: Li Hao , Liu Junku , Guo Nan , Xiao Lin , Zhang Haoxiong , Zhou Shuyun , Wu Yang , Fan Shoushan
Published: October 2020

Seeded chemical vapor transport growth gives high-quality and millimeter-sized transition metal dichalcogenide single crystals in a short period.
Modification of an ultrathin C60 interlayer on the electronic structure and molecular packing of C8-BTBT on HOPG
Authors: Zhao Yuan , Liu Xiaoliang , Li Lin , Wang Shitan , Li Youzhen , Xie Haipeng , Niu Dongmei , Huang Han , Gao Yongli
Published: October 2020

Electronic structure and molecular packing of C8-BTBT on HOPG with an ultrathin C60 interlayer.
Energetics of non-heme iron reactivity: can ab initio calculations provide the right answer?
Authors: Feldt Milica , Martín-Fernández Carlos , Harvey Jeremy N.
Published: October 2020

We use a variety of computational methods to characterize and compare the hydrogen atom transfer (HAT) and epoxidation reaction pathways for oxidation of cyclohexene by an iron(iv)-oxo complex.
Correction: Excellent performance of one-pot synthesized Fe-containing MCM-22 zeolites for the selective catalytic reduction of NOx with NH3
Authors: Chen Jialing , Peng Gang , Zheng Wei , Zhang Wenbo , Guo Li , Wu Xiaoqin
Published: October 2020

Correction for ‘Excellent performance of one-pot synthesized Fe-containing MCM-22 zeolites for the selective catalytic reduction of NOx with NH3’ by Jialing Chen et al., Catal. Sci. Technol., 2020, 10, 6583–6598, DOI: 10.1039/D0CY00989J.
The state of the field: from inception to commercialization of metal–organic frameworks
Authors: Chen Zhijie , Wasson Megan C. , Drout Riki J. , Robison Lee , Idrees Karam B. , Knapp Julia G. , Son Florencia A. , Zhang Xuan , Hierse Wolfgang , Kühn Clemens , Marx Stefan , Hernandez Benjamin , Farha Omar K.
Published: October 2020

We provide a brief overview of the state of the MOF field from their inception to their synthesis, potential applications, and finally, to their commercialization.
Modifying sensory perception of chocolate coated rice waffles through bite-to-bite contrast: an application case study using 3D inkjet printing
Authors: Zhu Sicong , Ribberink Marieke , de Wit Martin , Schutyser Maarten , Stieger Markus
Published: October 2020

The sweetness of chocolate coated rice waffles can be modified by bite-to-bite variation in chocolate thickness. 3D inkjet printing allows the production of foods with bite-to-bite contrast, which possibly might be used for healthier food product design.
Electrocatalytic hydrogenation and depolymerization pathways for lignin valorization: toward mild synthesis of chemicals and fuels from biomass
Authors: Wijaya Yanuar Philip , Smith Kevin J. , Kim Chang Soo , Gyenge Elöd L.
Published: October 2020

Electrocatalytic valorization of lignin via reduction and/or oxidation pathways offers a sustainable approach for clean energy and chemical production that enables the integration of biorefinery and renewable electricity.
Microfluidic characterization of macromolecular liquid–liquid phase separation
Authors: Bremer Anne , Mittag Tanja , Heymann Michael
Published: October 2020

The microfluidic phase chip allows precise determination of the saturation concentrations of biomolecules that undergo liquid–liquid phase separation while also monitoring the dense-phase morphology.
A colorimetric sensing platform based on self-assembled 3D porous CeGONR nanozymes for label-free visual detection of organophosphate pesticides
Authors: Lin Liyun , Ma Huifang , Yang Chunliang , Chen Wuhai , Zeng Shaodong , Hu Yuefang
Published: October 2020

A Ce(iii)-driven self-assembled synthetic strategy was developed to fabricate 3D porous nanozymes. A paper-based, naked eye visible, disposable inhibition enzymatic nanoplatform was developed to detect organophosphate pesticides.
Combinatorial library generation, molecular docking and molecular dynamics simulations for enhancing the isoflavone scaffold in phosphodiesterase inhibition
Authors: Oselladore Erika , Ongaro Alberto , Zagotto Giuseppe , Memo Maurizio , Ribaudo Giovanni , Gianoncelli Alessandra
Published: October 2020

Isoflavones are listed among the most widely studied natural compounds in light of their several biological properties, one of which consists in their ability to inhibit phosphodiesterases (PDEs).
Two antioxidant 2,5-disubstituted-1,3,4-oxadiazoles (CoViTris2020 and ChloViD2020): successful repurposing against COVID-19 as the first potent multitarget anti-SARS-CoV-2 drugs
Authors: Rabie Amgad M.
Published: October 2020

CoViTris2020 and ChloViD2020 inhibit SARS-CoV-2 life cycle with EC50 values of 0.31 and 1.01 μM, respectively. CoViTris2020 strongly inhibits coronaviral-2 RdRp with lower inhibitory binding energy of −12.00 kcal mol−1.
Carbon nanocage-based nanozyme as an endogenous H2O2-activated oxygenerator for real-time bimodal imaging and enhanced phototherapy of esophageal cancer
Authors: Liu Jingjing , Gao Jiameng , Zhang Amin , Guo Yuliang , Fan Shanshan , He Yu , Yang Kai , Wang Jianbo , Cui Daxiang , Cheng Yingsheng
Published: October 2020

The BSA-MnO2/IR820@OCNC nanosystem is a “one for all” system that allows highly efficacious real-time imaging-guided phototherapy of esophageal cancer.
Synthesis of difluoroalkylated 2-azaspiro[4.5]decane derivatives via copper-catalyzed difluoroalkylation/dearomatization of N-benzylacrylamides
Authors: Li Chengwen , Zhao Yilin , Zhou Jiaxin , Wang Xue , Hou Jingli , Song Yuguang , Liu Wenjuan , Han Guifang
Published: October 2020

A copper-catalyzed synthesis of difluoroalkylated spiro-azacycles from N-benzylacrylamides is presented. The reaction involves the β-difluoroalkylation of acrylamide, 5-exo cyclization, and dearomatization.
Advances in dynamically controlled catalytic reaction engineering
Authors: Armstrong Cameron D. , Teixeira Andrew R.
Published: October 2020

Dynamically forced input oscillations exhibit ability to surpass classical thermodynamic barriers through reactor operation and surface resonance.
Revealing the perovskite formation kinetics during chemical vapour deposition
Authors: Moser Thierry , Artuk Kerem , Jiang Yan , Feurer Thomas , Gilshtein Evgeniia , Tiwari Ayodhya N. , Fu Fan
Published: October 2020

High control chemical vapour deposition of (Cs,FA)PbI3 perovskite provides insights into CVD kinetics and perovskite phase evolution.
An ultra-stable lithium plating process enabled by the nanoscale interphase of a macromolecular additive
Authors: Jia Mengmin , Guo Yawei , Bian Haiyan , Zhang Qipeng , Zhang Lan , Zhang Suojiang
Published: October 2020

A nanostructured macromolecular lithium salt electrolyte additive is reported. It can serve as a flexible physical barrier between Li/electrolyte interphase and provide extra Li+. Some of its functional groups can absorb HF, reducing parasitic reactions at high temperature.
A PEDOT:PSS and graphene-clad smart textile-based wearable electronic Joule heater with high thermal stability
Authors: Ahmed Abbas , Jalil Mohammad Abdul , Hossain Md. Milon , Moniruzzaman Md. , Adak Bapan , Islam M. Tauhidul , Parvez Md. Shohan , Mukhopadhyay Samrat
Published: October 2020

The paper highlights a stretchable, wash-durable and wearable smart textile-based Joule heater with high thermal stability.
Charge transport properties of co-evaporated organic–inorganic thin film charge transfer complexes: effects of intermolecular interactions
Authors: Shen Dong , Wu Yan , Lo Ming-Fai , Lee Chun-Sing
Published: October 2020

Charge transport properties of the organic–inorganic MoO3 : 6T CTC thin film can be dramatically tuned via rubbing. The effects of intermolecular interactions on these changes are studied in detail.
Conserved roles for receptor tyrosine kinase extracellular regions in regulating receptor and pathway activity
Authors: Gonzalez-Magaldi Monica , McCabe Jacqueline M. , Cartwright Haley N. , Sun Ningze , Leahy Daniel J.
Published: October 2020

Receptor Tyrosine Kinases (RTKs) comprise a diverse group of cell-surface receptors that mediate key signaling events during animal development and are frequently activated in cancer. We show here that deletion of the extracellular regions of 10 RTKs representing 7 RTK classes or their substitution with the dimeric immunoglobulin Fc region results in constitutive receptor phosphorylation but fails to result in phosphorylation of downstream signaling effectors Erk or Akt. Conversely, substitution of RTK extracellular regions with the extracellular region of the Epidermal Growth Factor Receptor (EGFR) results in increases in effector phosphorylation in response to EGF. These results indicate that the activation signal generated by the EGFR extracellular region is capable of activating at least seven different RTK classes. Failure of phosphorylated Fc-RTK chimeras or RTKs with deleted extracellular regions to stimulate phosphorylation of downstream effectors indicates that either dimerization and receptor phosphorylation per se are insufficient to activate signaling or constitutive dimerization leads to pathway inhibition.
The mitochondrial ADP/ATP carrier exists and functions as a monomer
Authors: Kunji Edmund R.S. , Ruprecht Jonathan J.
Published: October 2020

For more than 40 years, the oligomeric state of members of the mitochondrial carrier family (SLC25) has been the subject of debate. Initially, the consensus was that they were dimeric, based on the application of a large number of different techniques. However, the structures of the mitochondrial ADP/ATP carrier, a member of the family, clearly demonstrated that its structural fold is monomeric, lacking a conserved dimerisation interface. A re-evaluation of previously published data, with the advantage of hindsight, concluded that technical errors were at the basis of the earlier dimer claims. Here, we revisit this topic, as new claims for the existence of dimers of the bovine ADP/ATP carrier have emerged using native mass spectrometry of mitochondrial membrane vesicles. However, the measured mass does not agree with previously published values, and a large number of post-translational modifications are proposed to account for the difference. Contrarily, these modifications are not observed in electron density maps of the bovine carrier. If they were present, they would interfere with the structure and function of the carrier, including inhibitor and substrate binding. Furthermore, the reported mass does not account for three tightly bound cardiolipin molecules, which are consistently observed in other studies and are important stabilising factors for the transport mechanism. The monomeric carrier has all of the required properties for a functional transporter and undergoes large conformational changes that are incompatible with a stable dimerisation interface. Thus, our view that the native mitochondrial ADP/ATP carrier exists and functions as a monomer remains unaltered.
Spin rates of V-type asteroids
Authors: Oszkiewicz Dagmara , Troianskyi Volodymyr , Föhring Dóra , Galád Adrián , Kwiatkowski Tomasz , Marciniak Anna , Skiff Brian A. , Geier Stefan , Borczyk Wojciech , Moskovitz Nicholas A. , Kankiewicz Paweł , Gajdoš Štefan , Világi Jozef , Polčic L’udovít , Kluwak Tomasz , Wilawer Emil , Kashuba Volodymyr , Udovichenko Sergei , Keir Leonid , Kamiński Krzysztof , Devogele Maxime , Gustafsson Annika
Published: October 2020

Context. Basaltic V-type asteroids play a crucial role in studies of Solar System evolution and planetesimal formation. Comprehensive studies of their physical, dynamical, and statistical properties provide insight into these processes. Thanks to wide surveys, currently there are numerous known V-type and putative V-type asteroids, allowing a detailed statistical analysis.

Aims. Our main goal is to analyze the currently available large sample of V-type spin rates, to find signatures of the non-gravitational Yarkovsky–O’Keefe–Radzievskii–Paddack (YORP) effect among the different V-type populations, and to estimate the spin barrier and critical density for V-type asteroids. Our intention is to increase the pool of information about the intriguing V-types.

Methods. We collected rotational periods from the literature for spectrally confirmed V-types, putative V-types, and Vesta family members. Through spectroscopic observations we confirmed their taxonomic type and verified the high confirmation rates of the putative V-types. We combined the collected periods with periods estimated in this manuscript and produced rotational frequency distributions. We determined the spin barrier in the frequency–light curve amplitude space for V-type asteroids.

Results. We analyzed rotational periods of 536 asteroids in our sample. As expected, due to the small size of the objects analyzed, the frequency distributions for the Vesta family and the V-types outside the family are inconsistent with a Maxwellian shape. The Vesta family shows an excess of slow-rotators. V-types outside the family show an excess of both slow and fast rotators. Interestingly, we found that the population of V-types outside the Vesta family shows a significant excess of fast rotators compared to the Vesta family. The estimated critical density for V-type asteroids exceeds ρc = 2.0 g cm−3, which surpasses the previous estimates.

Conclusions. We demonstrated that V-type asteroids have been influenced by the thermal radiation YORP effect and that their critical spin rate is higher than for C-type asteroids. The population of V-types outside the Vesta family shows a significant excess of fast rotators compared to the Vesta family. We hypothesize that the objects that evolved from the Vesta family though the Yarkovsky drift are also more susceptible to the YORP effect. Objects for which YORP has not yet had enough time to act and those that are more YORP resistant will be left in the family, which explains the relatively small proportion of fast rotators being left. The YORP timescale must thus be similar to the migration timescale for those objects.
Thorough characterisation of the 16 Cygni system
Authors: Farnir M. , Dupret M.-A. , Buldgen G. , Salmon S. J. A. J. , Noels A. , Pinçon C. , Pezzotti C. , Eggenberger P.
Published: October 2020

Context.Being part of the brightest solar-like stars, and close solar analogues, the 16 Cygni system is of great interest to the scientific community and may provide insight into the past and future evolution of our Sun. It has been observed thoroughly by theKeplersatellite, which provided us with data of an unprecedented quality.

Aims.This paper is the first of a series aiming to extensively characterise the system. We test several choices of micro- and macro-physics to highlight their effects on optimal stellar parameters and provide realistic stellar parameter ranges.

Methods.We used a recently developed method, WhoSGlAd, that takes the utmost advantage of the whole oscillation spectrum of solar-like stars by simultaneously adjusting the acoustic glitches and the smoothly varying trend. For each choice of input physics, we computed models which account, at best, for a set of seismic indicators that are representative of the stellar structure and are as uncorrelated as possible. The search for optimal models was carried out through a Levenberg-Marquardt minimisation. First, we found individual optimal models for both stars. We then selected the best candidates to fit both stars while imposing a common age and composition.

Results.We computed realistic ranges of stellar parameters for individual stars. We also provide two models of the system regarded as a whole. We were not able to build binary models with the whole set of choices of input physics considered for individual stars as our constraints seem too stringent. We may need to include additional parameters to the optimal model search or invoke non-standard physical processes.
Non-LTE inversions of a confined X2.2 flare
Authors: Vissers G. J. M. , Danilovic S. , de la Cruz Rodríguez J. , Leenaarts J. , Morosin R. , Díaz Baso C. J. , Reid A. , Pomoell J. , Price D. J. , Inoue S.
Published: October 2020

Context. Obtaining an accurate measurement of magnetic field vector in the solar atmosphere is essential for studying changes in field topology during flares and reliably modelling space weather.

Aims. We tackle this problem by applying various inversion methods to a confined X2.2 flare that occurred in NOAA AR 12673 on 6 September 2017 and comparing the photospheric and chromospheric magnetic field vector with the results of two numerical models of this event.

Methods. We obtained the photospheric magnetic field from Milne-Eddington and (non-)local thermal equilibrium (non-LTE) inversions of Hinode SOT/SP Fe I 6301.5 Å and 6302.5 Å. The chromospheric field was obtained from a spatially regularised weak-field approximation (WFA) and non-LTE inversions of Ca II 8542 Å observed with CRISP at the Swedish 1 m Solar Telescope. We investigated the field strengths and photosphere-to-chromosphere shear in the field vector.

Results. The LTE- and non-LTE-inferred photospheric magnetic field components are strongly correlated across several optical depths in the atmosphere, with a tendency towards a stronger field and higher temperatures in the non-LTE inversions. For the chromospheric field, the non-LTE inversions correlate well with the spatially regularised WFA, especially in terms of the line-of-sight field strength and field vector orientation. The photosphere exhibits coherent strong-field patches of over 4.5 kG, co-located with similar concentrations exceeding 3 kG in the chromosphere. The obtained field strengths are up to two to three times higher than in the numerical models, while the photosphere-to-chromosphere shear close to the polarity inversion line is more concentrated and structured.

Conclusions. In the photosphere, the assumption of LTE for Fe I line formation does not yield significantly different magnetic field results in comparison to the non-LTE case, while Milne-Eddington inversions fail to reproduce the magnetic field vector orientation where Fe I is in emission. In the chromosphere, the non-LTE-inferred field is excellently approximated by the spatially regularised WFA. Our inversions confirm the locations of flux rope footpoints that have been predicted by numerical models. However, pre-processing and lower spatial resolution lead to weaker and smoother field in the models than what our data indicate. This highlights the need for higher spatial resolution in the models to better constrain pre-eruptive flux ropes.