bluuebunny/crossref_metadata_2025 huggingface dataset:
Neuroendokrine Tumore des Pankreas
Authors: Storni Federico , Trepp Roman , Perren Aurel , Kollár Attila , Gloor Beat , Kim-Fuchs Corina
Published: November 2021

Zusammenfassung. Pankreatische neuroendokrine Tumore (PanNET) sind eine seltene und heterogene Gruppe von Tumoren mit sehr unterschiedlicher klinischer Präsentation. Dementsprechend sind diese im klinischen Alltag initial schwierig zu erkennen und die Diagnosestellung erfolgt häufig verzögert. Die nötigen diagnostischen Schritte beinhalten radiologische und funktionelle / nuklearmedizinische Untersuchungen, um einerseits die Ausdehnung des Primärtumors zu bestimmen und andererseits das Vorliegen von Metastasen zu erkennen. Gegeben falls ist eine Tumorbiopsie indiziert. Die daraus resultierenden Behandlungen beinhalten in Abhängigkeit vom Tumortyp sowie -ausbreitung und der Symptomatik die chirurgische Resektion, die Behandlung mittels Somatostatin-Analoga oder multimodale Therapiekonzepte. Die Therapie der Patienten mit neuroendokrinen Tumoren (NET) muss an einem interdisziplinären Tumorboard an einem spezialisierten Zentrum besprochen werden.
Roles of IκB kinases and TANK-binding kinase 1 in hepatic lipid metabolism and nonalcoholic fatty liver disease
Authors: Huh Jin Young , Saltiel Alan R.
Published: November 2021

Nonalcoholic fatty liver disease (NAFLD) is the most common cause of chronic liver disease and is strongly associated with obesity-related ectopic fat accumulation in the liver. Hepatic lipid accumulation encompasses a histological spectrum ranging from simple steatosis to nonalcoholic steatohepatitis (NASH), which can progress to cirrhosis and hepatocellular carcinoma. Given that dysregulated hepatic lipid metabolism may be an onset factor in NAFLD, understanding how hepatic lipid metabolism is modulated in healthy subjects and which steps are dysregulated in NAFLD subjects is crucial to identify effective therapeutic targets. Additionally, hepatic inflammation is involved in chronic hepatocyte damage during NAFLD progression. As a key immune signaling hub that mediates NF-κB activation, the IκB kinase (IKK) complex, including IKKα, IKKβ, and IKKγ (NEMO), has been studied as a crucial regulator of the hepatic inflammatory response and hepatocyte survival. Notably, TANK-binding kinase 1 (TBK1), an IKK-related kinase, has recently been revealed as a potential link between hepatic inflammation and energy metabolism. Here, we review (1) the biochemical steps of hepatic lipid metabolism; (2) dysregulated lipid metabolism in obesity and NAFLD; and (3) the roles of IKKs and TBK1 in obesity and NAFLD.
Deep learning-based quantification of temporalis muscle has prognostic value in patients with glioblastoma
Authors: Mi Ella , Mauricaite Radvile , Pakzad-Shahabi Lillie , Chen Jiarong , Ho Andrew , Williams Matt
Published: November 2021

Background

Glioblastoma is the commonest malignant brain tumour. Sarcopenia is associated with worse cancer survival, but manually quantifying muscle on imaging is time-consuming. We present a deep learning-based system for quantification of temporalis muscle, a surrogate for skeletal muscle mass, and assess its prognostic value in glioblastoma.

Methods

A neural network for temporalis segmentation was trained with 366 MRI head images from 132 patients from 4 different glioblastoma data sets and used to quantify muscle cross-sectional area (CSA). Association between temporalis CSA and survival was determined in 96 glioblastoma patients from internal and external data sets.

Results

The model achieved high segmentation accuracy (Dice coefficient 0.893). Median age was 55 and 58 years and 75.6 and 64.7% were males in the in-house and TCGA-GBM data sets, respectively. CSA was an independently significant predictor for survival in both the in-house and TCGA-GBM data sets (HR 0.464, 95% CI 0.218–0.988, p = 0.046; HR 0.466, 95% CI 0.235–0.925, p = 0.029, respectively).

Conclusions

Temporalis CSA is a prognostic marker in patients with glioblastoma, rapidly and accurately assessable with deep learning. We are the first to show that a head/neck muscle-derived sarcopenia metric generated using deep learning is associated with oncological outcomes and one of the first to show deep learning-based muscle quantification has prognostic value in cancer.
Recurrent integration of human papillomavirus genomes at transcriptional regulatory hubs
Authors: Warburton Alix , Markowitz Tovah E. , Katz Joshua P. , Pipas James M. , McBride Alison A.
Published: November 2021

Oncogenic human papillomavirus (HPV) genomes are often integrated into host chromosomes in HPV-associated cancers. HPV genomes are integrated either as a single copy or as tandem repeats of viral DNA interspersed with, or without, host DNA. Integration occurs frequently in common fragile sites susceptible to tandem repeat formation and the flanking or interspersed host DNA often contains transcriptional enhancer elements. When co-amplified with the viral genome, these enhancers can form super-enhancer-like elements that drive high viral oncogene expression. Here we compiled highly curated datasets of HPV integration sites in cervical (CESC) and head and neck squamous cell carcinoma (HNSCC) cancers, and assessed the number of breakpoints, viral transcriptional activity, and host genome copy number at each insertion site. Tumors frequently contained multiple distinct HPV integration sites but often only one “driver” site that expressed viral RNA. As common fragile sites and active enhancer elements are cell-type-specific, we mapped these regions in cervical cell lines using FANCD2 and Brd4/H3K27ac ChIP-seq, respectively. Large enhancer clusters, or super-enhancers, were also defined using the Brd4/H3K27ac ChIP-seq dataset. HPV integration breakpoints were enriched at both FANCD2-associated fragile sites and enhancer-rich regions, and frequently showed adjacent focal DNA amplification in CESC samples. We identified recurrent integration “hotspots” that were enriched for super-enhancers, some of which function as regulatory hubs for cell-identity genes. We propose that during persistent infection, extrachromosomal HPV minichromosomes associate with these transcriptional epicenters and accidental integration could promote viral oncogene expression and carcinogenesis.
Patient and caregiver outcomes with levodopa-carbidopa intestinal gel in advanced Parkinson’s disease
Authors: Valldeoriola Francesc , Catalán María José , Escamilla-Sevilla Francisco , Freire Eric , Olivares Jesús , Cubo Esther , García Diego Santos , Calopa Matilde , Martínez-Martín Pablo , Parra Juan Carlos , Arroyo Gloria , Arbelo José Matías
Published: November 2021

Levodopa-carbidopa intestinal gel (LCIG) has shown to be efficacious in motor and non-motor symptoms (NMS). Nevertheless, studies with patient Quality of Life (QoL) as a primary endpoint are scarce. To assess the effect of LCIG on Advanced Parkinson’s Disease (APD) patients QoL. Secondarily, the impact on motor symptoms and NMS, emotional well-being, treatment satisfaction, and caregiver QoL, stress, disease burden, anxiety, depression, and work impairment were also investigated. In this prospective, 6-month multicenter postmarketing observational study, LCIG was administered to 59 patients with APD. Endpoints were assessed using validated scales and questionnaires. LCIG significantly improved patient QoL (PDQ-39 mean change ± standard deviation from baseline, −12.8 ± 14.6; P < 0.0001), motor symptoms (UPDRS-III in “On,” −6.5 ± 11.8; P = 0.0002), NMS (NMSS, −35.7 ± 31.1; P < 0.0001), mood (Norris/Bond-Lader VAS, −6.6 ± 21.1; P = 0.0297), fatigue (PFS-16, −0.6 ± 1.0; P = 0.0003), depression (BDI-II, −5.1 ± 9.4; P = 0.0002), anxiety (BAI, −6.2 ± 9.6; P < 0.0001), and patient treatment satisfaction (SATMED-Q, 16.1 ± 16.8; P < 0.0001). There were significant correlations between the change from baseline to 6 months between PDQ-39 and UPDRS-IV, NMSS, BAI, BDI-II, AS, and PFS-16 scores, and Norris/Bond-Lader alertness/sedation factor. Caregiver anxiety also improved (Goldberg anxiety scale, −1.1 ± 1.0; P = 0.0234), but the clinical relevance of this finding is questionable. The serious adverse events reported were similar to those previously described for LCIG. In patients with APD, LCIG improves QoL, motor symptoms and NMS, emotional well-being, and satisfaction with the treatment. Improvement in patient QoL is associated with improvements in motor complications, NMS, anxiety, depression, apathy and fatigue. Improvements in patients’ QoL does not correspond with improvements in caregivers’ QoL or burden.
Endogenous regulation of the Akt pathway by the aryl hydrocarbon receptor (AhR) in lung fibroblasts
Authors: Shi Fangyi , Aloufi Noof , Traboulsi Hussein , Trempe Jean-François , Eidelman David H. , Baglole Carolyn J.
Published: November 2021

The aryl hydrocarbon receptor (AhR) is a ligand-activated transcription factor known to mediate toxic responses to dioxin. However, the role of the AhR in the regulation of cellular physiology has only recently been appreciated, including its ability to control cell cycle progression and apoptosis by unknown mechanisms. We hypothesized that the AhR enhances the activation of the AKT serine/threonine kinase (Akt) pathway to promote cell survival. Utilizing AhR knock-out (Ahr−/−) and wild-type (Ahr+/+) mouse lung fibroblasts (MLFs), we found that Ahr−/− MLFs have significantly higher basal Akt phosphorylation but that AhR did not affect Akt phosphorylation in MLFs exposed to growth factors or AhR ligands. Basal Akt phosphorylation was dependent on PI3K but was unaffected by changes in intracellular glutathione (GSH) or p85α. There was no significant decrease in cell viability in Ahr−/− MLFs treated with LY294002—a PI3K inhibitor—although LY294002 did attenuate MTT reduction, indicating an affect on mitochondrial function. Using a mass spectrometry (MS)-based approach, we identified several proteins that were differentially phosphorylated in the Ahr−/− MLFs compared to control cells, including proteins involved in the regulation of extracellular matrix (ECM), focal adhesion, cytoskeleton remodeling and mitochondrial function. In conclusion, Ahr ablation increased basal Akt phosphorylation in MLFs. Our results indicate that AhR may modulate the phosphorylation of a variety of novel proteins not previously identified as AhR targets, findings that help advance our understanding of the endogenous functions of AhR.
The effect of blood cells retained in rat livers during static cold storage on viability outcomes during normothermic machine perfusion
Authors: Haque Omar , Pendexter Casie A. , Wilks Benjamin T. , Hafiz Ehab O. A. , Markmann James F. , Uygun Korkut , Yeh Heidi , Tessier Shannon N.
Published: November 2021

In transplantation, livers are transported to recipients using static cold storage (SCS), whereby livers are exposed to cold ischemic injury that contribute to post-transplant risk factors. We hypothesized that flushing organs during procurement with cold preservation solutions could influence the number of donor blood cells retained in the allograft thereby exacerbating cold ischemic injury. We present the results of rat livers that underwent 24 h SCS after being flushed with a cold University of Wisconsin (UW) solution versus room temperature (RT) lactated ringers (LR) solution. These results were compared to livers that were not flushed prior to SCS and thoroughly flushed livers without SCS. We used viability and injury metrics collected during normothermic machine perfusion (NMP) and the number of retained peripheral cells (RPCs) measured by histology to compare outcomes. Compared to the cold UW flush group, livers flushed with RT LR had lower resistance, lactate, AST, and ALT at 6 h of NMP. The number of RPCs also had significant positive correlations with resistance, lactate, and potassium levels and a negative correlation with energy charge. In conclusion, livers exposed to cold UW flush prior to SCS appear to perform worse during NMP, compared to RT LR flush.
Nationwide retrospective study of critically ill adults with sickle cell disease in France
Authors: Agbakou Maïté , Mekontso-Dessap Armand , Pere Morgane , Voiriot Guillaume , Picard Muriel , Bourenne Jérémy , Ehrmann Stephan , Canet Emmanuel , Boyer Alexandre , Nseir Saad , Tamion Fabienne , Thille Arnaud W. , Argaud Laurent , Pontis Emmanuel , Quenot Jean-Pierre , Schneider Francis , Hot Arnaud , Capellier Gilles , Aubron Cécile , Razazi Keyvan , Masseau Agathe , Brule Noëlle , Reignier Jean , Lascarrou Jean-Baptiste
Published: November 2021

Little is known about patients with sickle cell disease (SCD) who require intensive care unit (ICU) admission. The goals of this study were to assess outcomes in patients admitted to the ICU for acute complications of SCD and to identify factors associated with adverse outcomes. This multicenter retrospective study included consecutive adults with SCD admitted to one of 17 participating ICUs. An adverse outcome was defined as death or a need for life-sustaining therapies (non-invasive or invasive ventilation, vasoactive drugs, renal replacement therapy, and/or extracorporeal membrane oxygenation). Factors associated with adverse outcomes were identified by mixed multivariable logistic regression. We included 488 patients admitted in 2015–2017. The main reasons for ICU admission were acute chest syndrome (47.5%) and severely painful vaso-occlusive event (21.3%). Sixteen (3.3%) patients died in the ICU, mainly of multi-organ failure following a painful vaso-occlusive event or sepsis. An adverse outcome occurred in 81 (16.6%; 95% confidence interval [95% CI], 13.3%–19.9%) patients. Independent factors associated with adverse outcomes were low mean arterial blood pressure (adjusted odds ratio [aOR], 0.98; 95% CI 0.95–0.99; p = 0.027), faster respiratory rate (aOR, 1.09; 95% CI 1.05–1.14; p < 0.0001), higher haemoglobin level (aOR, 1.22; 95% CI 1.01–1.48; p = 0.038), impaired creatinine clearance at ICU admission (aOR, 0.98; 95% CI 0.97–0.98; p < 0.0001), and red blood cell exchange before ICU admission (aOR, 5.16; 95% CI 1.16–22.94; p = 0.031). Patients with SCD have a substantial risk of adverse outcomes if they require ICU admission. Early ICU admission should be encouraged in patients who develop abnormal physiological parameters.
Coordination of retrotransposons and type I interferon with distinct interferon pathways in dermatomyositis, systemic lupus erythematosus and autoimmune blistering disease
Authors: Kuriyama Yuko , Shimizu Akira , Kanai Saki , Oikawa Daisuke , Motegi Sei-ichiro , Tokunaga Fuminori , Ishikawa Osamu
Published: November 2021

Type I interferon (IFN) plays a crucial role in innate and adaptive immunity, and aberrant IFN responses are involved in systemic autoimmune diseases, such as systemic lupus erythematosus (SLE) and dermatomyositis (DM). Type I IFNs can be induced by transcribed retrotransposons. The regulation of retrotransposons and type I IFN and the downstream IFN pathways in SLE, DM, and autoimmune blistering disease (AIBD) were investigated. The gene expression levels of retrotransposons, including LINE-1, type I-III IFNs, and IFN-stimulated genes (ISGs) in peripheral blood cells from patients with DM (n = 24), SLE (n = 19), AIBD (n = 14) and healthy controls (HCs, n = 10) were assessed by quantitative polymerase chain reaction. Upregulation of retrotransposons and IFNs was detected in DM patient samples, as is characteristic, compared to HCs; however, ISGs were not uniformly upregulated. In contrast, retrotransposons and IFNs, except for type II IFN, such as IFN-γ, were not upregulated in SLE. In AIBD, only some retrotransposons and type I interferons were upregulated. The DM, SLE, and AIBD samples showed coordinated expression of retrotransposons and type I IFNs and distinct spectra of IFN signaling. A positive correlation between LINE-1 and IFN-β1 was also detected in human cell lines. These factors may participate in the development of these autoimmune diseases.
Comparative effects of dexmedetomidine and propofol on brain and lung damage in experimental acute ischemic stroke
Authors: Sousa Giselle C. , Fernandes Marcos Vinicius , Cruz Fernanda F. , Antunes Mariana A. , da Silva Carla M. , Takyia Christina , Battaglini Denise , Samary Cynthia S. , Robba Chiara , Pelosi Paolo , Rocco Patricia R. M. , Silva Pedro L.
Published: November 2021

Acute ischemic stroke is associated with pulmonary complications, and often dexmedetomidine and propofol are used to decrease cerebral metabolic rate. However, it is unknown the immunomodulatory actions of dexmedetomidine and propofol on brain and lungs during acute ischemic stroke. The effects of dexmedetomidine and propofol were compared on perilesional brain tissue and lung damage after acute ischemic stroke in rats. Further, the mean amount of both sedatives was directly evaluated on alveolar macrophages and lung endothelial cells primarily extracted 24-h after acute ischemic stroke. In twenty-five Wistar rats, ischemic stroke was induced and after 24-h treated with sodium thiopental (STROKE), dexmedetomidine and propofol. Dexmedetomidine, compared to STROKE, reduced diffuse alveolar damage score [median(interquartile range); 12(7.8–15.3) vs. 19.5(18–24), p = 0.007)], bronchoconstriction index [2.28(2.08–2.36) vs. 2.64(2.53–2.77), p = 0.006], and TNF-α expression (p = 0.0003), while propofol increased VCAM-1 expression compared to STROKE (p = 0.0004). In perilesional brain tissue, dexmedetomidine, compared to STROKE, decreased TNF-α (p = 0.010), while propofol increased VCAM-1 compared to STROKE (p = 0.024). In alveolar macrophages and endothelial cells, dexmedetomidine decreased IL-6 and IL-1β compared to STROKE (p = 0.002, and p = 0.040, respectively), and reduced IL-1β compared to propofol (p = 0.014). Dexmedetomidine, but not propofol, induced brain and lung protection in experimental acute ischemic stroke.
The strong correlation between ADAM33 expression and airway inflammation in chronic obstructive pulmonary disease and candidate for biomarker and treatment of COPD
Authors: Fachri Muhammad , Hatta Mochammad , Massi Muhammad Nasrum , Santoso Arif , Wikanningtyas Tri Ariguntar , Dwiyanti Ressy , Junita Ade Rifka , Primaguna Muhammad Reza , Sabir Muhammad
Published: November 2021

Airway inflammation in patients with chronic obstructive pulmonary disease (COPD) is an amplified response of the normal immune system that occurs as a result of chronic irritation by toxic substances, such as cigarette smoke. This leads to the characteristic pathological changes in the inflammatory cells of COPD patients. ADAM33 has been reported to be involved in the pathogenesis of COPD in East Asia by affecting airway inflammation and other immune responses. The aim of this study was to determine the potential role of ADAM33 (mRNA and soluble levels) as a biomarker of inflammation in COPD patients. This is a case control study using consecutive sampling. The COPD case and control (non-COPD) groups comprised 37 and 29 patients, respectively. We used univariate analysis to assess differences in the parameters between the groups and bivariate analysis to non-parametrically compare these parameters between the two groups. We observed significantly higher mRNA levels of ADAM33 in the COPD patients (10.39 ± 1.76) as compared to that in the non-COPD individuals (6.93 ± 0.39; P < 0.001). The levels of soluble ADAM33 were also significantly higher in the COPD patients (2.188 ± 1.142 ng/ml) compared to the non-COPD individuals (0.487 ± 0.105 ng/ml; P < 0.001). The mRNA and soluble ADAM33 levels were significantly higher in COPD patients compared to those in the parameter-matched non-COPD individuals. Thus, ADAM33 is a potential biomarker and treatment for inflammation in COPD patients.
Indigenous impacts on north Australian savanna fire regimes over the Holocene
Authors: Wurster Christopher M. , Rowe Cassandra , Zwart Costijn , Sachse Dirk , Levchenko Vladimir , Bird Michael I.
Published: November 2021

Fire is an essential component of tropical savannas, driving key ecological feedbacks and functions. Indigenous manipulation of fire has been practiced for tens of millennia in Australian savannas, and there is a renewed interest in understanding the effects of anthropogenic burning on savanna systems. However, separating the impacts of natural and human fire regimes on millennial timescales remains difficult. Here we show using palynological and isotope geochemical proxy records from a rare permanent water body in Northern Australia that vegetation, climate, and fire dynamics were intimately linked over the early to mid-Holocene. As the El Niño/Southern Oscillation (ENSO) intensified during the late Holocene, a decoupling occurred between fire intensity and frequency, landscape vegetation, and the source of vegetation burnt. We infer from this decoupling, that indigenous fire management began or intensified at around 3 cal kyr BP, possibly as a response to ENSO related climate variability. Indigenous fire management reduced fire intensity and targeted understory tropical grasses, enabling woody thickening to continue in a drying climate.
Mbnl1 and Mbnl2 regulate brain structural integrity in mice
Authors: Sta Maria Naomi S. , Zhou Chenyu , Lee Se Jung , Valiulahi Parvin , Li Xiandu , Choi Jongkyu , Liu Xiaodan , Jacobs Russell , Comai Lucio , Reddy Sita
Published: November 2021

Myotonic Dystrophy Type I (DM1) patients demonstrate widespread and variable brain structural alterations whose etiology is unclear. We demonstrate that inactivation of the Muscleblind-like proteins, Mbnl1 and Mbnl2, initiates brain structural defects. 2D FSE T2w MRIs on 4-month-old Mbnl1+/−/Mbnl2−/− mice demonstrate whole-brain volume reductions, ventriculomegaly and regional gray and white matter volume reductions. Comparative MRIs on 2-month-old Mbnl1−/−, Mbnl2−/− and Mbnl1−/−/Mbnl2+/− brains show genotype-specific reductions in white and gray matter volumes. In both cohorts, white matter volume reductions predominate, with Mbnl2 loss leading to more widespread alterations than Mbnl1 loss. Hippocampal volumes are susceptible to changes in either Mbnl1 or Mbnl2 levels, where both single gene and dual depletions result in comparable volume losses. In contrast, the cortex, inter/midbrain, cerebellum and hindbrain regions show both gene and dose-specific volume decreases. Our results provide a molecular explanation for phenotype intensification in congenital DM1 and the variability in the brain structural alterations reported in DM1.
Template switching and duplications in SARS-CoV-2 genomes give rise to insertion variants that merit monitoring
Authors: Garushyants Sofya K. , Rogozin Igor B. , Koonin Eugene V.
Published: November 2021

The appearance of multiple new SARS-CoV-2 variants during the COVID-19 pandemic is a matter of grave concern. Some of these variants, such as B.1.617.2, B.1.1.7, and B.1.351, manifest higher infectivity and virulence than the earlier SARS-CoV-2 variants, with potential dramatic effects on the course of the pandemic. So far, analysis of new SARS-CoV-2 variants focused primarily on nucleotide substitutions and short deletions that are readily identifiable by comparison to consensus genome sequences. In contrast, insertions have largely escaped the attention of researchers although the furin site insert in the Spike (S) protein is thought to be a determinant of SARS-CoV-2 virulence. Here, we identify 346 unique inserts of different lengths in SARS-CoV-2 genomes and present evidence that these inserts reflect actual virus variance rather than sequencing artifacts. Two principal mechanisms appear to account for the inserts in the SARS-CoV-2 genomes, polymerase slippage and template switch that might be associated with the synthesis of subgenomic RNAs. At least three inserts in the N-terminal domain of the S protein are predicted to lead to escape from neutralizing antibodies, whereas other inserts might result in escape from T-cell immunity. Thus, inserts in the S protein can affect its antigenic properties and merit monitoring.
Manganese-doped iron coordination polymer nanoparticles with enhanced peroxidase-like activity for colorimetric detection of antioxidants
Authors: Zhang Chenghui , Zhang Xingfeng , Ye Yu , Ni Pengjuan , Chen Chuanxia , Liu Wendong , Wang Bo , Jiang Yuanyuan , Lu Yizhong
Published: November 2021

The peroxidase-like activity of Fe-based CPNs was enhanced by Mn doping. The optimum Fe5Mn-DHTP was devised for colorimetric detection of AA, Cys and GSH by inhibiting TMB chromogenic reaction in presence of H2O2via different inhibition mechanisms.
DNA-coated gold nanoparticles for tracking hepatocyte growth factor secreted by transplanted mesenchymal stem cells in pulmonary fibrosis therapy
Authors: Bao Hongying , Li Yuxuan , Yu Chenggong , Li Xiaodi , Wang Yujie , Gao Li , Huang Jie , Zhang Zhijun
Published: November 2021

Based on the fluorescence off–on principle, a dye-labeled Au nanoflare tracer is presented for in vivo tracking the secretion of hepatocyte growth factor (HGF) by MSCs during idiopathic pulmonary fibrosis (IPF) therapy.
Supramolecular capture of highly polar amidosquaraine dye in water with nanomolar affinity and large turn-on fluorescence
Authors: Dharmarwardana Madushani , Dempsey Janel M. , Padilla-Coley Sasha , Jarvis Tia S. , Shi Kejia , Atkinson Kirk M. , Smith Bradley D.
Published: November 2021

A high-affinity supramolecular dye-capture system with “turn on” visible fluorescence is used to create a new assay for phospholipase-mediated liposome leakage.
Ethylene oligomerization on Ni2+ single sites within lacunary defects of Wells Dawson polyoxometalates
Authors: Cho Yoonrae , Muhlenkamp Jessica A. , Oliver Allen G. , Hicks Jason C.
Published: November 2021

In this work, the utilization of lacunary defects of Wells Dawson polyoxometalate (POM) as platforms to isolate single Ni2+ sites at the molecular level for ethylene oligomerization is reported.
Photoacoustic measurement of localized optical dichroism in chiral crystals
Authors: Otis Gil , Benyamin Matan , Mastai Yitzhak , Zalevsky Zeev
Published: November 2021

Measurement of optical dichroism in crystal powders has always been challenging. Here, the authors present a novel method to measure optical dichroism of chiral crystal suspensions under completely random orientation using the photoacoustic effect.
Non-invasive, 3D printed, colourimetric, early wound-infection indicator
Authors: Yusufu Dilidaer , Magee Erin , Gilmore Brendan , Mills Andrew
Published: November 2021

CO2 indicator (blue to yellow) flags up rapid microbial growth and colonisation (green dots), due to microbial respiration, on damaged pig skin (red on pink), covered with a lint dressing (grey) as a precursor to infection.
Free carbonate-based molecules in the electrolyte leading to severe safety concerns of Ni-rich Li-ion batteries
Authors: Joraleechanchai Nattanon , Donthongkwa Ruttiyakorn , Phattharasupakun Nutthaphon , Duangdangchote Salatan , Chiochan Poramane , Homlamai Kan , Sawangphruk Montree
Published: November 2021

The safety of Li-ion batteries is one of the most important factors, if not the most, determining their practical applications.
Model free analysis of experimental residual dipolar couplings in small organic compounds
Authors: Roth Felix A. , Schmidts Volker , Rettig Jan , Thiele Christina M.
Published: November 2021

Combining anisotropic NMR data from multiple alignments is like combining photos into a 3D image and enables de novo structure determination of small organic compounds.
Water reorientation dynamics in colloidal water–oil emulsions
Authors: van Dam Eliane P. , Gouzy Roland , Pelan Eddie , Velikov Krassimir P. , Bakker Huib J.
Published: November 2021

Polarization resolved pump–probe infrared spectroscopy of colloidal oil-in-water emulsions demonstrates that the total surface area of oil droplets is independent of the average droplet size, indicating that the oil droplets are strongly corrugated.
First-principles study of closo-dodecaborates M2B12H12 (M = Li, Na, K) as solid-state electrolyte materials
Authors: Akrouchi A. , Benzidi H. , Al-Shami A. , El kenz A. , Benyoussef A. , El Kharbachi A. , Mounkachi O.
Published: November 2021

The closo-dodecaborates M2B12H12 (M = Li, Na, K) are studied using first-principles DFT calculations, where this emerging category of BnHn materials is considered as a new class of candidate electrolytes for solid-state batteries.
Effects of incorporation of Ag into a kesterite Cu2ZnSnS4thin film on its photoelectrochemical properties for water reduction
Authors: Ikeda Shigeru , Nguyen Thi Hiep , Okamoto Riku , Remeika Mikas , Abdellaoui Imane , Islam Muhammad M. , Harada Takashi , Abe Ryu , Sakurai Takeaki
Published: November 2021

Incorporation of Ag into a crystalline lattice of kesterite Cu2ZnSnS4 thin film was found to be effective for improvements of its photoelectrochemical properties for water reduction.
Revealing the reason for the reversal of properties from fullerene to nonfullerene
Authors: Huang Jiu-Chang , Li Ming-Yang , Wu Li-Na , Xiao Chun-Ni , Sun Guang-Yan
Published: November 2021

The inflection points leading to property differences between fullerenes and nonfullerenes are proposed and studied.
Biofunctionality with a twist: the importance of molecular organisation, handedness and configuration in synthetic biomaterial design
Authors: Hendrikse Simone I. S. , Contreras-Montoya Rafael , Ellis Amanda V. , Thordarson Pall , Steed Jonathan W.
Published: November 2021

This review highlights the importance of incorporating molecular organisation, spatial configuration and handedness in biomaterial design to arrive at improved native biomolecule interactions.
Thermally stable polyfluorinated monoalkoxysilanetriols and dialkoxydisiloxanetetrols
Authors: Feige Felix , Kögel Julius F. , Lork Enno , Beckmann Jens
Published: November 2021

Unlike previously known alkoxysilanetriols, polyfluorinated examples of the formula Ar3COSi(OH)3 are resisted towards self-condensation, which is attributed to the stabilizing effect of the polyfluorinated alkoxy groups (Ar = C6F5, 3,5-(CF3)2C6H3).
The role of anionic heterovalent [PO4]3− → [GeO4]4− substitution on the luminescence properties of inorganic phosphors with the β-Ca3(PO4)2-type structure: new data based on accurate crystal structure refinement
Authors: Deyneko Dina V. , Nikiforov Ivan V. , Lazoryak Bogdan I. , Aksenov Sergey M.
Published: November 2021

The preferable scheme of heterovalent [PO4]3− → [GeO4]4− substitution have been studied and clarified in the β-Ca3(PO4)2-type compounds. The similarity of the structure was calculated for novel Ca8+0.5xZnEu(PO4)7−x(GeO4)x series.
An electrochemical method for deborylative selenylation of arylboronic acids under metal- and oxidant-free conditions
Authors: Fu Zhengjiang , Yin Jian , He Dongdong , Yi Xuezheng , Guo Shengmei , Cai Hu
Published: November 2021

An electrochemical deborylative selenylation of arylboronic acids has been developed to produce aryl selenoethers in good yields, whose practicability has been highlighted through the synthesis of bioactive molecules and gram-scale preparation.
One-pot ethanol production under optimized pretreatment conditions using agave bagasse at high solids loading with low-cost biocompatible protic ionic liquid
Authors: Pérez Pimienta José A. , Papa Gabriella , Sun Jian , Stavila Vitalie , Sanchez Arturo , Gladden John M. , Simmons Blake A.
Published: November 2021

Wash-free one-pot ethanol conversion using Agave bagasse with a low-cost ionic liquid under optimized pretreatment conditions and high solids loading is demonstrated.
Catalytic upcycling of PVC waste-derived phthalate esters into safe, hydrogenated plasticizers
Authors: Windels Simon , Diefenhardt Thomas , Jain Noopur , Marquez Carlos , Bals Sara , Schlummer Martin , De Vos Dirk E.
Published: November 2021

Recycling of end-of-life polyvinyl chloride (PVC) calls for solutions to deal with the vast amounts of harmful phthalate plasticizers that have historically been incorporated in PVC.
Interstitial flow enhances the formation, connectivity, and function of 3D brain microvascular networks generated within a microfluidic device
Authors: Winkelman Max A. , Kim Diana Y. , Kakarla Shravani , Grath Alexander , Silvia Nathaniel , Dai Guohao
Published: November 2021

We used a microfluidic device to demonstrate the advantage of generating perfused, self-assembled human brain microvascular networks in the presence of hydrostatic pressure-induced interstitial flow.
Environmentally friendly carrageenan-based ionic-liquid driven soft actuators
Authors: Serra João P. , Fernandes Liliana C. , Correia Daniela M. , Tubio Carmen R. , Vilas-Vilela José L. , Tariq Mohammad , Esperança José M. S. S. , Costa Carlos M. , Lanceros-Mendez Senentxu
Published: November 2021

A naturally derived polymer based on iota carrageenan and different ammonium and imidazolium based ionic liquids (ILs) are used for the development of environmentally friendly soft actuators.
A critical review of hemoperfusion adsorbents: materials, functionalization and matrix structure selection
Authors: Dou Weiyu , Wang Jing , Yao Zhikan , Xiao Wei , Huang Man , Zhang Lin
Published: November 2021

Here we show the most significant steps in the design of hemoperfusion adsorbents. Selection of materials, functionalization methods and matrix structures are both necessary and will directly affect the adsorption efficiency.
Investigation of a 2D WS2 nanosheet-reinforced tough DNA hydrogel as a biomedical scaffold: preparation and in vitro characterization
Authors: Basu Sayantani , Chakraborty Aishik , Alkiswani Abdul-Rahman Imad , Shamiya Yasmeen , Paul Arghya
Published: November 2021

Diagram depicting the strategy for fabricating DNA-based hydrogels impregnated by ultrathin 2D tungsten disulfide nanosheets relevant for biomedical applications.
Poly(l-lactide): optimization of melting temperature and melting enthalpy and a comparison of linear and cyclic species
Authors: Kricheldorf Hans R. , Weidner Steffen M. , Meyer Andreas
Published: November 2021

Experiments are performed to obtain the highest Tm and ΔHm values for poly(l-lactide)s. They also include comparison with literature data and of cyclic and linear species.
Copper-catalyzed [4+1] cycloannulation of 2-aminochalcones with ethyl diazophenylacetates via ester rearrangement
Authors: Li An , Hu Li Ping , Yang Tao , Yang Zan , Liu Yu , Li Li Jun , Tang Ke Wen , Zhou Cong Shan
Published: November 2021

Copper-catalyzed [4+1] cycloannulation of 2-aminochalcones with ethyl diazophenylacetates was developed, exhibiting a wide range of substrates and good tolerance of functional groups.
Red fluorescent carbon dots excited by visible light: cell imaging and visual detection of ammonia gas using PVB films
Authors: Han Bingyan , Jiang Jingmei , Yan Qifang , Zhao Jing , Xin Ze , Yan Qin , He Gaohong
Published: November 2021

Red fluorescent carbon dots are used in cell imaging and detection of ammonia gas using PVB films under visible light.
Orange-emissive N,S-co-doped carbon dots for label-free and sensitive fluorescence assay of vitamin B12
Authors: Fan Pengfei , Liu Can , Hu Congcong , Li Feifei , Lin Xi , Xiao Fubing , Liang Hao , Li Le , Yang Shengyuan
Published: November 2021

N,S-CDs with orange fluorescent emission were synthesized via a hydrothermal method using o-phenylenediamine and thiourea. A novel fluorometric method for the determination of VB12 based on the IFE was established.
One-pot, facile synthesis and fast separation of a UiO-66 composite by a metalloporphyrin using nanomagnetic materials for oxidation of olefins and allylic alcohols
Authors: Zamani Samira , Abbasi Alireza , Masteri-Farahani Majid , Rayati Saeed
Published: November 2021

One-pot facile synthesis of a new composite based on the incorporation of a metalloporphyrin within the UiO-66 metal–organic framework is reported.
Design, synthesis and biological evaluation of novel pteridinone derivatives possessing a sulfonyl moiety as potent dual inhibitors of PLK1 and BRD4
Authors: Chen Fei , Wang Yu , Gao Zhanfeng , Wang Shihui , Liu Jiuyu , Cui Xinhua , Wang Yuehan , Li Zhiwei , Qin Mingze , Liu Yajing , Gong Ping , Zhao Yanfang , Hou Yunlei
Published: November 2021

To develop novel simultaneous inhibition of PLK1 and BRD4 bromodomains by a single molecule, a series of novel pteridinone derivatives possessing a sulfonyl moiety were designed, synthesized and evaluated for their biological activity.
9-Nitrobenzo[b]quinolizinium as a fluorogenic probe for the detection of nitroreductase in vitro and in Escherichia coli
Authors: Wickhorst Peter Jonas , Ihmels Heiko , Lammert-Baumgartner Melanie Marianne , Müller Mareike , Schönherr Holger
Published: November 2021

The non-fluorescent 9-nitrobenzo[b]quinolizinium is readily reduced by nitroreductase to fluorescent reaction products whose formation depends on the reaction conditions.
A new porphyrinic vanadium-based MOF constructed from infinite V(OH)O4 chains: syntheses, characterization and photoabsorption properties
Authors: Nguyen My V. , Dong Hieu C. , Truong Vy T. N. , Nguyen Hung N. , Luu Loc C. , Dang Nam N. , Nguyen Tuyet A. T.
Published: November 2021

A new porphyrinic vanadium-based metal–organic framework (MOF), namely V-MOF-10 [V2(OH)2(H2TCPP)], constructed from {V(OH)O4}∞ chains and 4-tetracarboxyphenylporphyrin linkers, was synthesized by a solvothermal procedure.
Cascade synthesis of indolizines and pyrrolo[1,2-a]pyrazines from 2-formyl-1-propargylpyrroles
Authors: Escalante Carlos H. , Carmona-Hernández Fernando A. , Hernández-López Alberto , Martínez-Mora Eder I. , Delgado Francisco , Tamariz Joaquín
Published: November 2021

A cascade reaction of 2-formyl-N-propargylpyrroles or N-allenyl-2-formylpyrroles with active methylene compounds and ammonium acetate provides indolizines and pyrrolo[1,2-a]pyrazines, respectively.
Photoredox-catalyzed synthesis of sulfonated oxazolines from N-allylamides through the insertion of sulfur dioxide
Authors: Chen Zhichao , Zhang Hong , Zhou Shu-Feng , Cui Xiuling
Published: November 2021

Photoredox-catalyzed generation of sulfonated oxazolines starting from N-allylamides, DABCO·(SO2)2, and aryldiazonium salts has been developed and a range of sulfonated oxazolines were obtained in moderate to good yields.
Lipid oxidation and protein co-oxidation in ready-to-eat meat products as affected by temperature, antioxidant, and packaging material during 6 months of storage
Authors: Wazir Hazrati , Chay Shyan Yea , Ibadullah Wan Zunairah Wan , Zarei Mohammad , Mustapha Nor Afizah , Saari Nazamid
Published: November 2021

Ambient-storage-friendly, ready-to-eat (RTE) meat products are convenient in emergencies, such as earthquakes, flash floods and the current global Covid-19 lockdown.
Defect induced electrocatalytic hydrogen properties of pentagonal PdX2 (X = S, Se)
Authors: Li Jingjing , Liang Dan , Liu Gang , Jia Baonan , Cao Jingyu , Hao Jinbo , Lu Pengfei
Published: November 2021

The HER electrocatalytic activity of pentagonal PdX2 (X = S, Se) can significantly be improved by S/Se and Pd vacancies and can be further regulated by vacancy concentration.
Electrochemical properties of kenaf-based activated carbon monolith for supercapacitor electrode applications
Authors: Park Han Yul , Huang Minhu , Yoon Tae-Ho , Song Kyung Hun
Published: November 2021

Monolithic carbon from kenaf-based fiber for supercapacitor electrode application provided a specific capacitance of 212 F g−1via GCD at 1 A g−1, converting to an energy density of 6 W h kg−1 at the power density of 215 W kg−1 as well as 95.9% retention upon 5000 cycling test.
Retraction: Transition-metal-free synthesis of conjugated microporous polymers via amine-catalyzed Suzuki–Miyaura coupling reaction
Authors: Liu Qingmin , Jin Shangbin , Tan Bien
Published: November 2021

Retraction of ‘Transition-metal-free synthesis of conjugated microporous polymers via amine-catalyzed Suzuki–Miyaura coupling reaction’ by Qingmin Liu et al., Chem. Sci., 2021, DOI: 10.1039/d1sc03970a.
A COF-like conductive conjugated microporous poly(aniline) serving as a current collector modifier for high-performance Li–S batteries
Authors: Chen Xin , Wang Yubing , Wang Jianan , Liu Jianwei , Sun Shiyi , Zhu Lei , Ma Qianyue , Zhu Ningrui , Wang Xi , Chen Jie , Yan Wei
Published: November 2021

A COF-like CMPA was synthesized by the B–H coupling reaction, serving as the functional layer of the current collector in the sulfur cathode. Benefiting from the advantages of CMPA, the cathode achieved long-life cyclability and high energy density.
A transferable machine-learning scheme from pure metals to alloys for predicting adsorption energies
Authors: Li Xin , Li Bo , Yang Ze , Chen Zhiwen , Gao Wang , Jiang Qing
Published: November 2021

We propose a transferable machine-learning model based on the intrinsic descriptors, which can predict the adsorption energies of single-atom alloys, AB intermetallics and high-entropy alloys , simply by training the properties of transition metals.
Comparison of the uptake of untargeted and targeted immunostimulatory nanoparticles by immune cells in the microenvironment of metastatic breast cancer
Authors: Covarrubias Gil , Moon Taylor J. , Loutrianakis Georgia , Sims Haley M. , Umapathy Mayura P. , Lorkowski Morgan E. , Bielecki Peter A. , Wiese Michelle L. , Atukorale Prabhani U. , Karathanasis Efstathios
Published: November 2021

Using common targeting ligands, we developed four nanoparticle variants and assessed their microdistribution in the tumor immune microenvironment in three different breast cancer landscapes, including primary tumor, early and late metastasis.
Optical absorption by design in a ferroelectric: co-doping in BaTiO3
Authors: Hao Shenglan , Yao Minghai , Vitali-Derrien Gaëlle , Gemeiner Pascale , Otoničar Mojca , Ruello Pascal , Bouyanfif Housnny , Janolin Pierre-Eymeric , Dkhil Brahim , Paillard Charles
Published: November 2021

Co-doping BaTiO3 with (X3+, Y5+) transition metal ions improves its optical absorption properties while retaining good ferroelectricity.
Research progress of atomic layer deposition technology to improve the long-term stability of perovskite solar cells
Authors: Yang Yifan , Zhang Yujing , Bai Luyun , Malouangou Davy Maurice , Matondo Jadel Tsiba , Pan Jiahong , Dai Songyuan , Cai Molang , Liu Xuepeng , Guli Mina
Published: November 2021

This review summarizes the exploration of the long-term stability of perovskite solar cells using atomic layer deposition.
ATOMIUM: ALMA tracing the origins of molecules in dust forming oxygen rich M-type stars
Authors: Gottlieb C. A. , Decin L. , Richards A. M. S. , De Ceuster F. , Homan W. , Wallström S. H. J. , Danilovich T. , Millar T. J. , Montargès M. , Wong K. T. , McDonald I. , Baudry A. , Bolte J. , Cannon E. , De Beck E. , de Koter A. , El Mellah I. , Etoka S. , Gobrecht D. , Gray M. , Herpin F. , Jeste M. , Kervella P. , Khouri T. , Lagadec E. , Maes S. , Malfait J. , Menten K. M. , Müller H. S. P. , Pimpanuwat B. , Plane J. M. C. , Sahai R. , Van de Sande M. , Waters L. B. F. M. , Yates J. , Zijlstra A.
Published: November 2021

This overview paper presentsATOMIUM, a Large Programme in Cycle 6 with the Atacama Large Millimeter/submillimeter Array (ALMA). The goal ofATOMIUMis to understand the dynamics and the gas phase and dust formation chemistry in the winds of evolved asymptotic giant branch (AGB) and red supergiant (RSG) stars. A more general aim is to identify chemical processes applicable to other astrophysical environments. Seventeen oxygen-rich AGB and RSG stars spanning a range in (circum)stellar parameters and evolutionary phases were observed in a homogeneous observing strategy allowing for an unambiguous comparison. Data were obtained between 213.83 and 269.71 GHz at high (∼0″​​.025–0″​​.050), medium (∼0″​​.13–0″​​.24), and low (∼1″) angular resolution. The sensitivity per ∼1.3 km s−1channel was 1.5–5 mJy beam−1, and the line-free channels were used to image the millimetre wave continuum. Our primary molecules for studying the gas dynamics and dust formation are CO, SiO, AlO, AlOH, TiO, TiO2, and HCN; secondary molecules include SO, SO2, SiS, CS, H2O, and NaCl. The scientific motivation, survey design, sample properties, data reduction, and an overview of the data products are described. In addition, we highlight one scientific result – the wind kinematics of theATOMIUMsources. Our analysis suggests that theATOMIUMsources often have a slow wind acceleration, and a fraction of the gas reaches a velocity which can be up to a factor of two times larger than previously reported terminal velocities assuming isotropic expansion. Moreover, the wind kinematic profiles establish that the radial velocity described by the momentum equation for a spherical wind structure cannot capture the complexity of the velocity field. In fifteen sources, some molecular transitions other than12COv = 0J = 2 − 1 reach a higher outflow velocity, with a spatial emission zone that is often greater than 30 stellar radii, but much less than the extent of CO. We propose that a binary interaction with a (sub)stellar companion may (partly) explain the non-monotonic behaviour of the projected velocity field. TheATOMIUMdata hence provide a crucial benchmark for the wind dynamics of evolved stars in single and binary star models.
MHD study of the planetary magnetospheric response during extreme solar wind conditions: Earth and exoplanet magnetospheres applications
Authors: Varela J. , Brun A. S. , Strugarek A. , Réville V. , Zarka P. , Pantellini F.
Published: November 2021

Context.The stellar wind and the interplanetary magnetic field modify the topology of planetary magnetospheres. Consequently, the hazardous effect of the direct exposition to the stellar wind, for example, regarding the integrity of satellites orbiting the Earth or the habitability of exoplanets, depends upon the space weather conditions.

Aims.The aim of the study is to analyze the response of an Earth-like magnetosphere for various space weather conditions and interplanetary coronal mass ejections. The magnetopause standoff distance, the open-close field line boundary, and plasma flows toward the planet surface are calculated.

Methods.We used the magnetohydrodynamics code PLUTO in spherical coordinates to perform a parametric study of the dynamic pressure and temperature of the stellar wind as well as of the interplanetary magnetic field intensity and orientation. The range of the parameters we analyzed extends from regular to extreme space weather conditions, which is consistent with coronal mass ejections at the Earth orbit for the present and early periods of the solar main sequence. In addition, implications of sub-Afvénic solar wind configurations for the Earth and exoplanet magnetospheres were analyzed.

Results.The direct precipitation of the solar wind at the Earth dayside in equatorial latitudes is extremely unlikely even during super coronal mass ejections. On the other hand, for early evolution phases during the solar main sequence, when the solar rotation rate was at least five times faster (<440 Myr), the Earth surface was directly exposed to the solar wind during coronal mass ejections. Today, satellites at high, geosynchronous, and medium orbits are directly exposed to the solar wind during coronal mass ejections because part of the orbit at the Earth dayside is beyond the nose of the bow shock.