bluuebunny/crossref_metadata_2025 huggingface dataset:
High-speed and high-precision PbSe/PbI2 solution process mid-infrared camera
Authors: Dortaj Hannaneh , Dolatyari Mahboubeh , Zarghami Armin , Alidoust Farid , Rostami Ali , Matloub Samiye , Yadipour Reza
Published: January 2021

Infrared (IR) cameras based on semiconductors grown by epitaxial methods face two main challenges, which are cost and operating at room temperature. The alternative new technologies which can tackle these two difficulties develop new and facile material and methods. Moreover, the implementation of high speed camera, which makes high resolution images with normal methods, is very expensive. In this paper, a new nanostructure based on a cost-effective solution processed technology for the implementation of the high-speed mid-infrared light camera at room temperature is proposed. To this end, the chemically synthesized PbSe–PbI2 core–shell Quantum Dots (QDs) are used. In this work, a camera including 10 × 10 pixels is fabricated and synthesized QDs spin-coated on interdigitated contact (IDC) and then the fabricated system passivated by epoxy resin. Finally, using an electronic reading circuit, all pixels are converted to an image on the monitor. To model the fabricated camera, we solved Schrodinger–Poisson equations self consistently. Then output current from each pixel is modeled based on semiconductor physics and dark and photocurrent, as well as Responsivity and Detectivity, are calculated. Then the fabricated device is examined, and dark and photocurrents are measured and compared to the theoretical results. The obtained results indicate that the obtained theoretical and measured experimental results are in good agreement together. The fabricated detector is high speed with a rise time of 100 ns. With this speed, we can get 10 million frames per second; this means we can get very high-resolution images. The speed of operation is examined experimentally using a chopper that modulates input light with 50, 100, 250, and 500 Hz. It is shown that the fabricated device operates well in these situations, and it is not limited by the speed of detector. Finally, for the demonstration of the proposed device operation, some pictures and movies taken by the camera are attached and inserted in the paper.
WASP: a software package for correctly characterizing the topological development of ribbon structures
Authors: Sierzega Zachary , Wereszczynski Jeff , Prior Chris
Published: January 2021

We introduce the Writhe Application Software Package (WASP) which can be used to characterisze the topology of ribbon structures, the underlying mathematical model of DNA, Biopolymers, superfluid vorticies, elastic ropes and magnetic flux ropes. This characterization is achieved by the general twist–writhe decomposition of both open and closed ribbons, in particular through a quantity termed the polar writhe. We demonstrate how this decomposition is far more natural and straightforward than artificial closure methods commonly utilized in DNA modelling. In particular, we demonstrate how the decomposition of the polar writhe into local and non-local components distinctly characterizes the local helical structure and knotting/linking of the ribbon. This decomposition provides additional information not given by alternative approaches. As example applications, the WASP routines are used to characterise the evolving topology (writhe) of DNA minicircle and open ended plectoneme formation magnetic/optical tweezer simulations, and it is shown that the decomponsition into local and non-local components is particularly important for the detection of plectonemes. Finally it is demonstrated that a number of well known alternative writhe expressions are actually simplifications of the polar writhe measure.
The anti-tumor effects of cetuximab in combination with VTX-2337 are T cell dependent
Authors: Cheng Yinwen , Borcherding Nicholas , Ogunsakin Ayomide , Lemke-Miltner Caitlin D. , Gibson-Corley Katherine N. , Rajan Anand , Choi Allen B. , Wongpattaraworakul Wattawan , Chan Carlos H. F. , Salem Aliasger K. , Weiner George J. , Simons Andrean L.
Published: January 2021

The Toll-like receptor 8 (TLR8) agonist VTX-2337 (motolimod) is an anti-cancer immunotherapeutic agent that is believed to augment natural killer (NK) and dendritic cell (DC) activity. The goal of this work is to examine the role of TLR8 expression/activity in head and neck squamous cell carcinoma (HNSCC) to facilitate the prediction of responders to VTX-2337-based therapy. The prognostic role of TLR8 expression in HNSCC patients was assessed by TCGA and tissue microarray analyses. The anti-tumor effect of VTX-2337 was determined in SCCVII/C3H, mEERL/C57Bl/6 and TUBO-human EGFR/BALB/c syngeneic mouse models. The effect of combined VTX-2337 and cetuximab treatment on tumor growth, survival and immune cell recruitment was assessed. TLR8 expression was associated with CD8+ T cell infiltration and favorable survival outcomes. VTX-2337 delayed tumor growth in all 3 syngeneic mouse models and significantly increased the survival of cetuximab-treated mice. The anti-tumor effects of VTX-2337+ cetuximab were accompanied by increased splenic lymphoid DCs and IFNγ+ CD4+ and tumor-specific CD8+ T cells. Depletion of CD4+ T cells, CD8+ T cells and NK cells were all able to abolish the anti-tumor effect of VTX-2337+ cetuximab. Altogether, VTX-2337 remains promising as an adjuvant for cetuximab-based therapy however patients with high TLR8 expression may be more likely to derive benefit from this drug combination compared to patients with low TLR8 expression.
The dual effect of social ties on COVID-19 spread in Japan
Authors: Fraser Timothy , Aldrich Daniel P.
Published: January 2021

We investigate why some communities experience worse COVID-19 outcomes than others. Past studies have linked the resilience of communities against crisis to social vulnerability and the capacity of local governments to provide public goods and services like health care. Disaster studies, which frequently examine the effect of social ties and mobility, may better help illuminate the current spread of COVID-19. We analyze Japan’s 47 prefectures from February 12 to August 31 using 62,722 individual confirmed cases of COVID-19, paired with daily tallies of aggregate Facebook user movement among neighborhoods. Controlling for mobility levels, health care systems, government finance, gender balance, age, income, and education levels of communities, our analysis indicates that areas with strong linking social ties see no or far lower levels of COVID-19 case rates initially. However, case fatality rates rise in such communities once the disease enters as they lack horizontal (bonding) ties which can mitigate its health impacts. We anticipate this study to be a starting point for broader studies of how social ties and mobility influence COVID-19 outcomes worldwide along with shining a light on how different types of social relationships play different roles as a crisis or disaster progresses.
Simultaneous determination of spirodiclofen, spiromesifen, and spirotetramat and their relevant metabolites in edible fungi using ultra-performance liquid chromatography/tandem mass spectrometry
Authors: Tian Fajun , Qiao Chengkui , Wang Caixia , Luo Jing , Guo Linlin , Pang Tao , Li Jun , Wang Ruiping , Pang Rongli , Xie Hanzhong
Published: January 2021

A fast, sensitive, and reliable analytical method was developed and validated for simultaneous identification and quantification of spirodiclofen, spiromesifen, and spirotetramat and their relevant metabolites in edible fungi by ultra-performance liquid chromatography/tandem mass spectrometry (UHPLC–MS/MS). First, sample extraction was done with acetonitrile containing 1% formic acid followed by phase separation with the addition of MgSO4:NaOAc. Then, the supernatant was purified by primary secondary amine (PSA), octadecylsilane (C18), and graphitized carbon black (GCB). The linearities of the calibrations for all analytes were excellent (R2 ≥ 0.9953). Acceptable recoveries (74.5–106.4%) for all analytes were obtained with good intra- and inter- relative standard deviations of less than 14.5%. The limit of quantification (LOQs) for all analytes was 10 μg kg−1. For accurate quantification, matrix-matched calibration curve was applied to normalize the matrix effect. The results indicated that the method was suitable for detecting the three acaricides and their relevant metabolites in edible fungi.
CD14+ monocytes repress gamma globin expression at early stages of erythropoiesis
Authors: Heshusius Steven , Heideveld Esther , von Lindern Marieke , van den Akker Emile
Published: January 2021

In β-hemoglobinopathies, reactivation of gamma- at the expense of beta-globin is a prominent therapeutic option. Expression of the globin genes is not strictly intrinsically regulated during erythropoiesis, supported by the observation that fetal erythroid cells switch to adult hemoglobin expression when injected in mice. We show cultured erythroblasts are a mix of HbA restrictive and HbA/HbF expressing cells and that the proportion of cells in the latter population depends on the starting material. Cultures started from CD34+ cells contain more HbA/HbF expressing cells compared to erythroblasts cultured from total peripheral blood mononuclear cells (PBMC). Depletion of CD14+ cells from PBMC resulted in higher HbF/HbA percentages. Conversely, CD34+ co-culture with CD14+ cells reduced the HbF/HbA population through cell–cell proximity, indicating that CD14+ actively repressed HbF expression in adult erythroid cultures. RNA-sequencing showed that HbA and HbA/HbF populations contain a limited number of differentially expressed genes, aside from HBG1/2. Co-culture of CD14+ cells with sorted uncommitted hematopoietic progenitors and CD34-CD36+ erythroblasts showed that hematopoietic progenitors prior to the hemoglobinized erythroid stages are more readily influenced by CD14+ cells to downregulate expression of HBG1/2, suggesting temporal regulation of these genes. This possibly provides a novel therapeutic avenue to develop β-hemoglobinopathies treatments.
Early stability and late random tumor progression of a HER2-positive primary breast cancer patient-derived xenograft
Authors: Landuzzi Lorena , Palladini Arianna , Ceccarelli Claudio , Asioli Sofia , Nicoletti Giordano , Giusti Veronica , Ruzzi Francesca , Ianzano Marianna L. , Scalambra Laura , Laranga Roberta , Balboni Tania , Arigoni Maddalena , Olivero Martina , Calogero Raffaele A. , De Giovanni Carla , Dall’Ora Massimiliano , Di Oto Enrico , Santini Donatella , Foschini Maria Pia , Cucchi Maria Cristina , Zanotti Simone , Taffurelli Mario , Nanni Patrizia , Lollini Pier-Luigi
Published: January 2021

We established patient-derived xenografts (PDX) from human primary breast cancers and studied whether stability or progressive events occurred during long-term in vivo passages (up to 4 years) in severely immunodeficient mice. While most PDX showed stable biomarker expression and growth phenotype, a HER2-positive PDX (PDX-BRB4) originated a subline (out of 6 studied in parallel) that progressively acquired a significantly increased tumor growth rate, resistance to cell senescence of in vitro cultures, increased stem cell marker expression and high lung metastatic ability, along with a strong decrease of BCL2 expression. RNAseq analysis of the progressed subline showed that BCL2 was connected to three main hub genes also down-regulated (CDKN2A, STAT5A and WT1). Gene expression of progressed subline suggested a partial epithelial-to-mesenchymal transition. PDX-BRB4 with its progressed subline is a preclinical model mirroring the clinical paradox of high level-BCL2 as a good prognostic factor in breast cancer. Sequential in vivo passages of PDX-BRB4 chronically treated with trastuzumab developed progressive loss of sensitivity to trastuzumab while HER2 expression and sensitivity to the pan-HER tyrosine kinase inhibitor neratinib were maintained. Long-term PDX studies, even though demanding, can originate new preclinical models, suitable to investigate the mechanisms of breast cancer progression and new therapeutic approaches.
Mycobacterium tuberculosis Rv3160c is a TetR-like transcriptional repressor that regulates expression of the putative oxygenase Rv3161c
Authors: Tükenmez Hasan , Sarkar Souvik , Anoosheh Saber , Kruchanova Anastasiia , Edström Isabel , Harrison Gregory A. , Stallings Christina L. , Almqvist Fredrik , Larsson Christer
Published: January 2021

Tuberculosis, caused by Mycobacterium tuberculosis (Mtb), is a major health threat listed among the top 10 causes of death worldwide. Treatment of multidrug-resistant Mtb requires use of additional second-line drugs that prolong the treatment process and result in higher death rates. Our team previously identified a 2-pyridone molecule (C10) that blocks tolerance to the first-line drug isoniazid at C10 concentrations that do not inhibit bacterial growth. Here, we discovered that the genes rv3160c and rv3161c are highly induced by C10, which led us to investigate them as potential targets. We show that Rv3160c acts as a TetR-like transcriptional repressor binding to a palindromic sequence located in the rv3161c promoter. We also demonstrate that C10 interacts with Rv3160c, inhibiting its binding to DNA. We deleted the rv3161c gene, coding for a putative oxygenase, to investigate its role in drug and stress sensitivity as well as C10 activity. This Δrv3161c strain was more tolerant to isoniazid and lysozyme than wild type Mtb. However, this tolerance could still be blocked by C10, suggesting that C10 functions independently of Rv3161c to influence isoniazid and lysozyme sensitivity.
Effect of radiotherapy on survival in advanced hepatocellular carcinoma patients treated with sorafenib: a nationwide cancer-registry-based study
Authors: Chu Shou-Sheng , Kuo Yu-Hsuan , Liu Wen-Shan , Wang Shih-Chang , Ho Chung-Han , Chen Yi-Chen , Yang Ching-Chieh , Wu Hung-Chang
Published: January 2021

Sorafenib is the standard treatment for advanced hepatocellular carcinoma (HCC) patients. This study aims to determine whether combining radiotherapy with sorafenib administration increases its efficacy. The study cohort included 4763 patients with diagnosed advanced HCC who received sorafenib between January 2012 and December 2015, as reported in medical records in the Taiwan Cancer Registry database. The effect of sorafenib with or without radiotherapy on survival was calculated using the Kaplan–Meier method and compared using the log-rank test. A Cox proportional hazards model was used for multivariate analysis. Patients receiving sorafenib plus radiotherapy had greater 1-year survival than did those receiving sorafenib alone (P < 0.001). Uni- and multivariate analyses also showed that radiotherapy increased survival after adjusting for confounders (adjusted HR 0.57; 95% CI 0.51–0.63). Further stratified analysis according to the timing of radiotherapy relative to sorafenib treatment revealed that patients who underwent radiotherapy after sorafenib had greater 1-year survival than did those undergoing radiotherapy within sorafenib use or sorafenib alone (adjusted HR 0.39; 95% CI 0.27–0.54). Combined treatment with sorafenib and radiotherapy results in greater HCC patient survival and should be considered an option for treating this challenging disease.
Dietary intake and hospitalisation due to diabetic ketoacidosis and hypoglycaemia in individuals with type 1 diabetes
Authors: Ahola Aila J. , Harjutsalo Valma , Thomas Merlin C. , Forsblom Carol , Groop Per-Henrik
Published: January 2021

We investigated the association between diet and risk of hospitalisation for diabetic ketoacidosis (DKA) or hypoglycaemia in type 1 diabetes. Food records were used to assess dietary intake. Data on DKA and hypoglycaemia hospitalisations, within two years of dietary assessments, were obtained from registries. Analyses were conducted with and without macronutrient substitution. Data were available from 1391 participants, 28 (2.0%) and 55 (4.0%) of whom were hospitalised due to DKA or hypoglycaemia, respectively. In the adjusted model, self-reported alcohol intake was associated with increased (per 10 g: B = 1.463, 95% CI = 1.114–1.922, p = 0.006; per E%: B = 1.113, 95% CI = 1.027–1.206, p = 0.009), and fibre intake with reduced (per g/MJ: B = 0.934, 95% CI = 0.878–0.995, p = 0.034) risk of DKA hospitalisation. Substituting carbohydrates for fats was associated with increased risk for hypoglycaemia hospitalisation (B = 1.361, 95% CI = 1.031–1.795, p = 0.029), while substituting alcohol for carbohydrates (B = 1.644, 95% CI = 1.006–2.685, p = 0.047) or proteins (B = 2.278, 95% CI = 1.038–4.999, p = 0.040) increased the risk for DKA hospitalisation. In conclusion, refraining from alcohol intake is a preventable risk factor for DKA, while higher fibre intake seems rather protective. Increasing carbohydrate intake while decreasing that of fats, is associated with higher hypoglycaemia risk. Whether this is a cause or effect of hypoglycaemia remains to be established.
Pressure-assisted sintering and characterization of Nd:YAG ceramic lasers
Authors: Wagner Avital , Meshorer Yekutiel , Ratzker Barak , Sinefeld David , Kalabukhov Sergey , Goldring Sharone , Galun Ehud , Frage Nachum
Published: January 2021

Spark plasma sintering (SPS) is an advanced one-stage, rapid, near-net shape densification technique combining uniaxial pressure with resistive heating. Various transparent ceramics have been successfully fabricated by SPS, despite the existence of inherent carbon contamination and residual pores. Due to the disk-shape of SPS-processed samples, the technique may be suited for producing thin-disk ceramic laser materials. Nevertheless, an in-depth study of these materials has never been reported. With that goal in mind, the major focus of this study was to characterize the laser performance of Nd:YAG ceramics fabricated by one-stage SPS under conventional (60 MPa) and high (300 MPa) applied pressures. In addition to measuring the lasing slope efficiency and threshold, the passive losses associated with each sample were also evaluated. Surprisingly, it was found that in-line transmittance spectra do not provide accurate predictions of laser performance due to the nature of residual porosity. Moreover, homogeneity and beam quality were assessed, and comparisons were drawn between conventional and high-pressure SPS ceramics. This study lays the groundwork for the future of laser materials fabricated by SPS or similar pressure-assisted techniques.
The possible occurrence of iron-dependent anaerobic methane oxidation in an Archean Ocean analogue
Authors: Roland Fleur A. E. , Borges Alberto V. , Darchambeau François , Llirós Marc , Descy Jean-Pierre , Morana Cédric
Published: January 2021

In the ferruginous and anoxic early Earth oceans, photoferrotrophy drove most of the biological production before the advent of oxygenic photosynthesis, but its association with ferric iron (Fe3+) dependent anaerobic methane (CH4) oxidation (AOM) has been poorly investigated. We studied AOM in Kabuno Bay, a modern analogue to the Archean Ocean (anoxic bottom waters and dissolved Fe concentrations > 600 µmol L−1). Aerobic and anaerobic CH4 oxidation rates up to 0.12 ± 0.03 and 51 ± 1 µmol L−1 d−1, respectively, were put in evidence. In the Fe oxidation–reduction zone, we observed high concentration of Bacteriochlorophyll e (biomarker of the anoxygenic photoautotrophs), which co-occurred with the maximum CH4 oxidation peaks, and a high abundance of Candidatus Methanoperedens, which can couple AOM to Fe3+ reduction. In addition, comparison of measured CH4 oxidation rates with electron acceptor fluxes suggest that AOM could mainly rely on Fe3+ produced by photoferrotrophs. Further experiments specifically targeted to investigate the interactions between photoferrotrophs and AOM would be of considerable interest. Indeed, ferric Fe3+-driven AOM has been poorly envisaged as a possible metabolic process in the Archean ocean, but this can potentially change the conceptualization and modelling of metabolic and geochemical processes controlling climate conditions in the Early Earth.
Premature ventricular contraction is associated with increased risk of atrial fibrillation: a nationwide population-based study
Authors: Kim Yun Gi , Han Kyung-Do , Choi Jong-Il , Choi Yun Young , Choi Ha Young , Shim Jaemin , Kim Young-Hoon
Published: January 2021

Premature ventricular contraction (PVC) and atrial fibrillation (AF) are common arrhythmias affecting 1–2% of the general population. During PVC, retrograde ventriculo-atrial activation can occur and act like an atrial ectopy. However, the clinical significance of this phenomenon is not fully understood. We aimed to elucidate whether the clinical diagnosis of PVC can increase the risk of new-onset AF. We performed a nationwide population-based analysis using the Korean National Health Insurance Service database. A total of 9,537,713 people without prior history of PVC and AF were identified. Among these people, 4135 developed PVC in 2009, and people with and without PVC were followed until 2018. People who had PVC showed an increased risk of new-onset AF as compared with people without PVC (hazard ratio [HR] = 2.705; 95% confidence interval [CI] = 2.428–3.013; p < 0.001). The risk of ischemic stroke was also significantly increased in people with PVC (HR 1.160; 95% CI 1.048–1.284; p = 0.0041). New-onset AF developed in 72 people (19.3%) among 374 people with PVC who had ischemic stroke during their follow-up. A significant interaction was observed between PVC and age with people < 65 years at greater risk of new-onset AF for having PVC. In this observational analysis, the risk of new-onset AF and ischemic stroke was increased in people with PVC. Additional evaluation to identify AF in people with PVC can be helpful.
Movements of marine and estuarine turtles during Hurricane Michael
Authors: Lamont Margaret M. , Johnson Darren , Catizone Daniel J.
Published: January 2021

Natural disturbances are an important driver of population dynamics. Because it is difficult to observe wildlife during these events, our understanding of the strategies that species use to survive these disturbances is limited. On October 10, 2018, Hurricane Michael made landfall on Florida’s northwest coast. Using satellite and acoustic telemetry, we documented movements of 6 individual turtles: one loggerhead sea turtle, one Kemp’s ridley sea turtle, three green sea turtles and one diamondback terrapin, in a coastal bay located less than 30 km from hurricane landfall. Post-storm survival was confirmed for all but the Kemp’s ridley; the final condition of that individual remains unknown. No obvious movements were observed for the remaining turtles however the loggerhead used a larger home range in the week after the storm. This study highlights the resiliency of turtles in response to extreme weather conditions. However, long-term impacts to these species from habitat changes post-hurricane are unknown.
Integrated miRNA-mRNA analysis reveals the roles of miRNAs in the replanting benefit of Achyranthes bidentata roots
Authors: Yang Yan Hui , Li Ming Jie , Yi Yan Jie , Li Rui Fang , Li Cui Xiang , Yang Heng , Wang Jing , Zhou Jing Xuan , Shang Sui , Zhang Zhong Yi
Published: January 2021

The yield and quality of the medicinal plantAchyranthes bidentatacan be increased when it is replanted into a field cultivated previously with the same crop, however, fundamental aspects of its biology (so-called “replanting benefit”) still remain to be elucidated. miRNAs are sRNA molecules involved in the post-transcriptional regulation of gene expression in plant biological processes. Here, 267 conserved and 36 novel miRNAs were identified inA. bidentataroots. We compared the miRNA content of the roots (R1) from first-year planting with that of the roots (R2) of second-year replanting, and screened 21 differentially expressed (DE) miRNAs. Based on in silico functional analysis, integrated miRNA-mRNA datasets allowed the identification of 10 miRNA-target family modules, which might participate in the benefit. The expression profiles of the miRNA-target modules were potentially correlated with the presence of the replanting benefit. The indication was that the miRNA-responsive continuous monoculture could reprogram miRNA-mRNA expression patterns, which possibly promote the root growth and development, enhance its transport activity and strengthen its tolerance to various stresses, thereby improvingA. bidentataproductivity as observed in the replanting benefit. Our study provides basic data for further research on the molecular mechanisms of the benefit inA. bidentata.
Optimal blood pressure for patients with chronic kidney disease: a nationwide population-based cohort study
Authors: Lee You-Bin , Lee Ji Sung , Hong So-hyeon , Kim Jung A. , Roh Eun , Yoo Hye Jin , Baik Sei Hyun , Choi Kyung Mook
Published: January 2021

The effect of blood pressure (BP) on the incident cardiovascular events, progression to end-stage renal disease (ESRD) and mortality were evaluated among chronic kidney disease (CKD) patients with and without antihypertensive treatment. This nationwide study used the Korean National Health Insurance Service-Health Screening Cohort data. The hazards of outcomes were analysed according to the systolic BP (SBP) or diastolic BP (DBP) among adults (aged ≥ 40 years) with CKD and without previous cardiovascular disease or ESRD (n = 22,278). The SBP and DBP were ≥ 130 mmHg and ≥ 80 mmHg in 10,809 (48.52%) and 11,583 (51.99%) participants, respectively. During a median 6.2 years, 1271 cardiovascular events, 201 ESRD incidents, and 1061 deaths were noted. Individuals with SBP ≥ 130 mmHg and DBP ≥ 80 mmHg had higher hazards of hypertension-related adverse outcomes compared to the references (SBP 120–129 mmHg and DBP 70–79 mmHg). SBP < 100 mmHg was associated with hazards of all-cause death, and composite of ESRD and all-cause death during follow-up only among the antihypertensive medication users suggesting that the BP should be < 130/80 mmHg and the SBP should not be < 100 mmHg with antihypertensive agents to prevent the adverse outcome risk of insufficient and excessive antihypertensive treatment in CKD patients.
Mantle wedge diapirs detected by a dense seismic array in Northern Taiwan
Authors: Lin Cheng-Horng , Shih Min-Hung , Lai Ya-Chuan
Published: January 2021

It is conventionally believed that magma generation beneath the volcanic arc is triggered by the infiltration of fluids or melts derived from the subducted slab. However, recently geochemical analyses argue the arc magma may be formed by mélange diapirs that are physically mixed by sediment, altered oceanic crust, fluids, and mantle above the subducted slab. Further numerical modeling predicts that the mantle wedge diapirs have significant seismic velocity anomalies, even though these have not been observed yet. Here we show that unambiguously later P-waves scattered from some obstacles in the mantle wedge are well recorded at a dense seismic array (Formosa Array) in northern Taiwan. It is the first detection of seismic scattering obstacles in the mantle wedge. Although the exact shape and size of the scattered obstacles are not well constrained by the arrival-times of the later P-waves, the first order approximation of several spheres with radius of ~ 1 km provides a plausible interpretation. Since these obstacles were located just beneath the magma reservoirs around depths between 60 and 95 km, we conclude they may be mantle wedge diapirs that are likely associated with magma generation beneath active volcanoes.
A novel rabbit fixator made of a thermoplastic mask for awake imaging experiments
Authors: Lu Rencai , Hou Li , Wang Siyu , She Bo , He Hong , Gao Wentao , Wang Sidang , Xv Dongdong , Ji Yunhai , Yang Shasha , Yang Zhaohui , Wang Shaobo
Published: January 2021

This study aimed to develop and validate a novel rabbit fixator made from a thermoplastic mask for awake imaging experiments. When heated in a hot-water bath at 65–70 °C for 2–5 min, the thermoplastic mask became soft and could be molded to fit over the entire body of an anesthetized rabbit (4 ml of 3% pentobarbital sodium solution by intramuscular injection). Twenty rabbits were randomly divided into fixator (n = 10) and anesthesia (n = 10) groups. The animals’ vital signs, stress hormones (cortisol and adrenaline), and subjective image quality scores for the computed tomography (CT), positron emission tomography (PET), and magnetic resonance imaging (MRI) scanning were measured and compared. Phantom CT, MRI and PET studies were performed to assess the performance with and without the thermoplastic mask by using image agents at different concentrations or with different radioactivity. The respiration rate (RR), systolic blood pressure (SBP), diastolic blood pressure (DBP), peripheral capillary oxygen saturation (SpO2) and body temperature (T) decreased after anesthesia (all P < 0.05) but did not significantly decrease after fixation (all P > 0.05). The heart rate (HR), cortisol and adrenaline did not significantly decrease after either anesthesia or fixation (all P > 0.05). The subjective image quality scores for the CT and MRI images of the head, thorax, liver, kidney, intestines and pelvis and the subjective image quality scores for the PET images did not significantly differ between the two groups (all P > 0.05). For all examined organs except the muscle, 18F-FDG metabolism was lower after fixation than after anesthesia, and was almost identical of liver between two groups. The phantom study showed that the CT values, standard uptake values and MR T2 signal values did not differ significantly with or without the mask (all P > 0.05). A novel rabbit fixator created using a thermoplastic mask could be used to obtain high-quality images for different imaging modalities in an awake and near-physiological state.
Nuclear hyperpolarization of (1-13C)-pyruvate in aqueous solution by proton-relayed side-arm hydrogenation
Authors: Dagys Laurynas , Jagtap Anil P. , Korchak Sergey , Mamone Salvatore , Saul Philip , Levitt Malcolm H. , Glöggler Stefan
Published: January 2021

We employ parahydrogen induced polarization with side-Arm hydrogenation (PHIP-SAH) to polarize (1-13C)-pyruvate via a new pulsed magnetic resonance experiment.
A multi-residue analytical method for extraction and analysis of pharmaceuticals and other selected emerging contaminants in sewage sludge
Authors: Riva Francesco , Zuccato Ettore , Pacciani Carlo , Colombo Andrea , Castiglioni Sara
Published: January 2021

The present study developed and applied a reliable analytical method for the analysis of 44 ECs in sewage sludge. The most abundant compounds were antibiotics, anti-inflammatories and antihypertensives that showed seasonal variability.
Supramolecular nanoparticles self-assembled from reduction-responsive cabazitaxel prodrugs for effective cancer therapy
Authors: Jin Jiahui , Wan Jianqin , Hu Xiaoxiao , Fang Tao , Ye Zhijian , Wang Hangxiang
Published: January 2021

Short amphiphilic oligo(ethylene glycol)–oligolactide fragments were used to chemically modify a hydrophobic and toxic taxane drug, which induced the self-assembly of the resultant prodrug entities in aqueous media for intravenous administration.
Temporary (PO) directing group enabled carbazole ortho arylation via palladium catalysis
Authors: Qi Zhi-Chao , Lou Qin-Xin , Niu Yuan , Yang Shang-Dong
Published: January 2021

An efficient palladium-catalyzed, temporary P(O) directing group assisted C–H bond arylation of carbazoles was achieved, accompanied by the directing group being self-shed spontaneously.
A radical mixed-ligand gold bis(dithiolene) complex
Authors: Perochon Romain , Barrière Frédéric , Jeannin Olivier , Piekara-Sady Lidia , Fourmigué Marc
Published: January 2021

Asymmetry in the electronic structure of a mixed-ligand gold bis(dithiolene) complex explains its peculiar optical, electrochemical and structural features.
Facet stability of GaN during tri-halide vapor phase epitaxy: anab initio-based approach
Authors: Yosho Daichi , Matsuo Yuriko , Kusaba Akira , Kempisty Pawel , Kangawa Yoshihiro , Murakami Hisashi , Koukitu Akinori
Published: January 2021

Anab initio-based approach is used to study the facet stability of GaN during THVPE. The surface phase diagrams as functions of temperature and pressure are determined. Wulff construction is used to predict the crystal shape.
The formation and migration of non-equivalent oxygen vacancies in PrBaCo2−xMxO6−δ, where M = Fe, Co, Ni and Cu
Authors: Zhukov V. P. , Chulkov E. V. , Politov B. V. , Suntsov A. Yu. , Kozhevnikov V. L.
Published: January 2021

The ab initio calculated defect formation energies are used for assessment of high-temperature thermodynamic functions that govern the appearance of oxygen vacancies in PrBaCo2−xMxO6−δ.
Carbon nitride derivatives as photocatalysts for the CO2 reduction reaction: computational study
Authors: Li Siru , Tian Yu , Yan Likai , Su Zhongmin
Published: January 2021

Photocatalytic reduction of CO2 to hydrocarbons is considered to be a promising strategy to solve the energy crisis and environmental problems.
Anion effects on Li ion transference number and dynamic ion correlations in glyme–Li salt equimolar mixtures
Authors: Shigenobu Keisuke , Shibata Masayuki , Dokko Kaoru , Watanabe Masayoshi , Fujii Kenta , Ueno Kazuhide
Published: January 2021

Cation–anion interactions and Li ion coordination structure have a significant impact on dynamic ion correlations and Li ion transference number of glyme–Li salt molten mixtures.
Cadmium and manganese hypophosphite perovskites templated by formamidinium cations: dielectric, optical and magnetic properties
Authors: Mączka Mirosław , Stefańska Dagmara , Ptak Maciej , Gągor Anna , Pikul Adam , Sieradzki Adam
Published: January 2021

The first cadmium hypophosphite perovskite exhibiting reddish-orange emission, glass-like behaviour and order–disorder phase transition.
Comment on “Therapeutic target and molecular mechanism of vitamin C-treated pneumonia: a systematic study of network pharmacology” by R. Li, C. Guo, Y. Li, X. Liang, L. Yang and W. Huang, Food Funct., 2020, 11, 4765
Authors: Hemilä Harri , Carr Anitra
Published: January 2021

This Comment raises concerns about the article “Therapeutic target and molecular mechanism of vitamin C-treated pneumonia: a systematic study of network pharmacology”.
Halogen-free fixation of carbon dioxide into cyclic carbonates via bifunctional organocatalysts
Authors: Zhang Feng , Bulut Safak , Shen Xiaojun , Dong Minghua , Wang Yanyan , Cheng Xiaomeng , Liu Huizhen , Han Buxing
Published: January 2021

Bifunctional organocatalysts bearing diamine and carboxylic acid groups efficiently catalyze the coupling reaction of CO2 with epoxides under halogen-free conditions due to a synergy effect.
Toxico-metabolomics study of a deep eutectic solvent comprising choline chloride and urea suggests in vivo toxicity involving oxidative stress and ammonia stress
Authors: Jung Dasom , Jung Jae Back , Kang Seulgi , Li Ke , Hwang Inseon , Jeong Ji Hoon , Kim Hyung Sik , Lee Jeongmi
Published: January 2021

The in vitro and in vivo studies suggest that choline chloride-based deep eutectic solvents may not be considered as pure, safe mixtures even if they consist of safe compounds.
Evaluation of the effect of solution ageing on the DGT speciation of Rh and Pt
Authors: Abdulbur-Alfakhoury Ehab , Leermakers Martine
Published: January 2021

Synthetic solutions of Rh and Pt at near neutral pH, as well as spiked natural waters are subjected to an ageing effect, so that over time, due to aquation and hydrolysis, the speciation of the PGEs changes to various hydroxy and aqua complexes.
Initial development of preceramic polymer formulations for additive manufacturing
Authors: Al-Ajrash Saja M. Nabat , Browning Charles , Eckerle Rose , Cao Li
Published: January 2021

Investigation of three preceramic polymer formulations for potential use in additive manufacturing technologies.
Amine-functionalized multi-walled carbon nanotubes (EDA-MWCNTs) for electrochemical water splitting reactions
Authors: Narwade Shankar S. , Mali Shivsharan M. , Sathe Bhaskar R.
Published: January 2021

A study on the in situ decoration of ethylenediamine (EDA) on acid functionalized multi-walled carbon nanotubes (O-MWCNTs) for overall water splitting reactions at all pH as an efficient and inexpensive metal-free multifunctional electrocatalyst.
One-step hydrothermal method for preparation of Ni/carbon thin film electrodes for efficient electroreduction of imidacloprid
Authors: Liu Zongyu , Tian Ying , Dong Xuewei , Zhou Xiaohui , Liu Xiao , Huang Liping
Published: January 2021

A Ni/CTF was used as the cathode for electroreduction of imidacloprid, achieving a 92.1% removal efficiency for the electroreduction of imidacloprid.
Nanoscale flow cytometry for immunophenotyping and quantitating extracellular vesicles in blood plasma
Authors: Salmond Nikki , Khanna Karan , Owen Gethin R. , Williams Karla C.
Published: January 2021

Nanoscale flow cytometry permits analysis of small particles in unpurified plasma and supports identification and quantitation of different particle populations.
Brønsted acid-catalyzed homogeneous O–H and S–H insertion reactions under metal- and ligand-free conditions
Authors: Zhang Zhipeng , He Zhiqin , Xie Yuxing , He Tiantong , Fu Yaofeng , Yu Yang , Huang Fei
Published: January 2021

The economical and accessible CF3SO3H successfully catalyzed homogeneous O–H and S–H bond insertion reactions between hydroxyl compounds, thiols and diazo compounds under metal- and ligand-free conditions.
Host–guest modes and supramolecular frameworks of complexes of tetramethyl cucurbit[6]uril with 4-chloroaniline and 4,4′-diaminostilbene
Authors: Meng Ye , Zhao Weiwei , Zheng Jun , Jiang Daofa , Gao Jie , Jin Yanmei , Ma Peihua
Published: January 2021

Two TMeQ[6]-based multi-dimensional supramolecular frameworks were formed driven by weak interaction forces in the system (hydrogen bonding, C–H... π interactions, ion–dipole interactions, and dipole–dipole interactions).
Direct deposition of Sn-doped CsPbBr3 perovskite for efficient solar cell application
Authors: Abib Mukerem Helil , Li Junchun , Yang Heming , Wang Man , Chen Taotao , EnzeXu  , Jiang Yang
Published: January 2021

All inorganic carbon-based planar perovskites, particularly CsPbBr3, have attracted considerable attention due to their excellent stability against oxygen, moisture, and heat for photovoltaic utilization.
Alcohol functionality in the fatty acid backbone of sphingomyelin guides the inhibition of blood coagulation
Authors: Mallik S. , Prasad R. , Das K. , Sen P.
Published: January 2021

Cell-surface sphingomyelin (SM) inhibits binary and ternary complex activity of blood coagulation.
Synthesis of Mn-MOFs loaded zinc phosphate composite for water-based acrylic coatings with durable anticorrosion performance on mild steel
Authors: Chen Zesheng , He Kun-huan , Wei Runzhi , Lv Yiju , Liu Zheng , Han Guo-Cheng
Published: January 2021

The above scheme shows the preparation route of Mn-MOFs@Zn@acrylic coating. Mn-MOFs@Zn and water-based acrylic varnish were evenly dispersed in water; then the coating was applied to the surface of mild steel and then scratched with a knife.
Ligand compatibility of salacinol-type α-glucosidase inhibitors toward the GH31 family
Authors: Ishikawa Fumihiro , Hirano Aiko , Yoshimori Yuuto , Nishida Kana , Nakamura Shinya , Takashima Katsuki , Marumoto Shinsuke , Ninomiya Kiyofumi , Nakanishi Isao , Xie Weijia , Morikawa Toshio , Muraoka Osamu , Tanabe Genzoh
Published: January 2021

Salacinol-type α-glucosidase inhibitors are ligand-compatible with the GH 31 family. Salacinol and its 3′-O-benzylated analogs inhibit human lysosomal α-glucosidase at submicromolar levels.
A quantum chemical approach for the mechanisms of redox-active metalloenzymes
Authors: Siegbahn Per E. M.
Published: January 2021

During the past 20 years, quantum chemistry has grown to be a significant part in the investigation of mechanisms for redox-active enzymes.
Preparation of hybrid paper electrode based on hexagonal boron nitride integrated graphene nanocomposite for free-standing flexible supercapacitors
Authors: Rajendran Jerome , Reshetilov Anatoly N. , Sundramoorthy Ashok K.
Published: January 2021

As-prepared BN/GrP free-standing flexible conductive paper showed high electrical conductivity of 5.36 × 104 S m−1 with the sheet resistance of 8.87 Ω sq−1. Furthermore, BN/GrP showed excellent specific capacitance of 321.95 F g−1 at current density of 0.5 A g−1. In addition, the power and energy densities were obtained as 3588.3 W kg−1, and 44.7 W h kg−1.
A [3Cu:2S] cluster provides insight into the assembly and function of the CuZ site of nitrous oxide reductase
Authors: Zhang Lin , Bill Eckhard , Kroneck Peter M. H. , Einsle Oliver
Published: January 2021

Variants of all seven histidine ligands of the [4Cu:2S] active site of nitrous oxide reductase mostly result in loss of the metal site. However, a H382A variant retains a [3Cu:2S] cluster that hints towards a structural flexibility also present in the intact site.
Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”
Authors: Osipova Elena S. , Gulyaeva Ekaterina S. , Gutsul Evgenii I. , Kirkina Vladislava A. , Pavlov Alexander A. , Nelyubina Yulia V. , Rossin Andrea , Peruzzini Maurizio , Epstein Lina M. , Belkova Natalia V. , Filippov Oleg A. , Shubina Elena S.
Published: January 2021

Bimetallic complexes [LW(CO)2(μ-CO)⋯Pd(PCP)] cooperatively activate amine-boranes for their dehydrogenation via N–H proton tunneling at RDS and H2 evolution from two neutral hydrides.
Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Authors: Lee Jie Yie , Ling Sanliang , Argent Stephen P. , Senn Mark S. , Cañadillas-Delgado Laura , Cliffe Matthew J.
Published: January 2021

Metal thiocyanate hybrid perovskites can have multiple simultaneous complex orderings and combining these orderings appropriately can produce non-centrosymmetric structures.
Design and enhanced gene silencing activity of spherical 2′-fluoroarabinose nucleic acids (FANA-SNAs)
Authors: Fakih Hassan H. , Katolik Adam , Malek-Adamian Elise , Fakhoury Johans J. , Kaviani Sepideh , Damha Masad J. , Sleiman Hanadi F.
Published: January 2021

Optimizing FANA modified spherical nucleic acids (FANA-SNAs) for highly efficient delivery of nucleic acid therapeutics.
Programmable soft electrothermal actuators based on free-form printing of the embedded heater
Authors: Cao Yang , Dong Jingyan
Published: January 2021

We report soft electrothermal actuators with programmable deformations. By configuring the design of the printed heater, complex programmable deformations, including uniform bending, customized bending, folding, and twisting, can be achieved.
Rod–plate interactions in sepiolite–LAPONITE® gels: microstructure, surface chemistry and rheology
Authors: Liu Pengfei , Du Mingyong , Clode Peta , Liu Jishan , Leong Yee-Kwong
Published: January 2021

Pure and composite clay gels of sepiolite and LAPONITE® at 4 wt% solids were characterised microstructurally and rheologically.
Biodegradable copper–metformin nanoscale coordination polymers for enhanced chemo/chemodynamic synergistic therapy by reducing oxygen consumption to promote H2O2 accumulation
Authors: Meng Xiangyu , Zhang Xuezhong , Lei Yunfeng , Cao Dongwei , Wang Zhifei
Published: January 2021

A new therapeutic nanoplatform based on Dox@Cu–Met NPs was constructed, which could reduce the consumption of O2 and elevate H2O2 content for effective chemo/chemodynamic synergistic therapy.
Butyrylcholinesterase nanodepots with enhanced prophylactic and therapeutic performance for acute organophosphorus poisoning management
Authors: Yu Congwei , Zhao Ming , Pan Zuchen , Bo Yiyang , Zhao Weiwei , He Xiongkui , Zhang Jiaheng
Published: January 2021

Poly(4-acryloylmorpholine)-modified butyrylcholinesterase shows outstanding prophylactic and therapeutic efficacy against organophosphorus poisoning. Poly(4-acryloylmorpholine) holds promise as a PEG substitute in drug delivery.
Electrochemically mediated gradient metallic film generation
Authors: Ma Xiaoqian , Song Huan , Yan Junfeng
Published: January 2021

Metallic films with a controlled gradient can be fabricated on substrates via electrochemically induced metallic ion deposition.
Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner
Authors: Wang Yuning , Tadayon Roya , Santamaria Liliana , Mercier Pascal , Forristal Chantal J. , Shaw Gary S.
Published: January 2021

The membrane protein dysferlin (DYSF) is important for calcium-activated plasma membrane repair, especially in muscle fibre cells. Nearly 600 mutations in the DYSF gene have been identified that are causative for rare genetic forms of muscular dystrophy. The dysferlin protein consists of seven C2 domains (C2A–C2G, 13%–33% identity) used to recruit calcium ions and traffic accessory proteins and vesicles to injured membrane sites needed to reseal a wound. Amongst these, the C2A is the most prominent facilitating the calcium-sensitive interaction with membrane surfaces. In this work, we determined the calcium-free and calcium-bound structures of the dysferlin C2A domain using NMR spectroscopy and X-ray crystallography. We show that binding two calcium ions to this domain reduces the flexibility of the Ca2+-binding loops in the structure. Furthermore, calcium titration and mutagenesis experiments reveal the tight coupling of these calcium-binding sites whereby the elimination of one site abolishes calcium binding to its partner site. We propose that the electrostatic potential distributed by the flexible, negatively charged calcium-binding loops in the dysferlin C2A domain control first contact with calcium that promotes subsequent binding. Based on these results, we hypothesize that dysferlin uses a ‘calcium-catching’ mechanism to respond to calcium influx during membrane repair.
Remodeling hydrogen bond interactions results in relaxed specificity of Caspase-3
Authors: Yao Liqi , Swartz Paul , Hamilton Paul T. , Clark A. Clay
Published: January 2021

Caspase (or cysteinyl-aspartate specific proteases) enzymes play important roles in apoptosis and inflammation, and the non-identical but overlapping specificity profiles (that is, cleavage recognition sequence) direct cells to different fates. Although all caspases prefer aspartate at the P1 position of the substrate, the caspase-6 subfamily shows preference for valine at the P4 position, while caspase-3 shows preference for aspartate. In comparison with human caspases, caspase-3a from zebrafish has relaxed specificity and demonstrates equal selection for either valine or aspartate at the P4 position. In the context of the caspase-3 conformational landscape, we show that changes in hydrogen bonding near the S3 subsite affect selection of the P4 amino acid. Swapping specificity with caspase-6 requires accessing new conformational space, where each landscape results in optimal binding of DxxD (caspase-3) or VxxD (caspase-6) substrate and simultaneously disfavors binding of the other substrate. Within the context of the caspase-3 conformational landscape, substitutions near the active site result in nearly equal activity against DxxD and VxxD by disrupting a hydrogen bonding network in the substrate binding pocket. The converse substitutions in zebrafish caspase-3a result in increased selection for P4 aspartate over valine. Overall, the data show that the shift in specificity that results in a dual function protease, as in zebrafish caspase-3a, requires fewer amino acid substitutions compared with those required to access new conformational space for swapping substrate specificity, such as between caspases-3 and -6.