bluuebunny/crossref_metadata_2025 huggingface dataset:
High CO2 Expands Where Plants Can Grow in CESM‐CLM4‐CNDV
Authors: Kowalczyk Jennifer B. , Lee Jung‐Eun
Published: December 2021

As anthropogenic carbon emissions continue, it is important to predict how vegetation will change due to the warming climate, increasing atmospheric CO2, and changing precipitation patterns. Some projections show decreases in vegetation either regionally in the tropics (e.g., Falloon et al., 2012; Port et al., 2012) or globally (e.g., Bastin et al., 2019) due to high temperatures and drying, and there is large uncertainty surrounding the response of global vegetation to climate change (Arora et al., 2020; Friedlingstein et al., 2006; Walker et al., 2020). Here we use simulations with the NCAR Community Earth System Model (CESM) with dynamic vegetation to explore how increasing CO2 may affect vegetation and, through feedbacks, the climate. We find that globally, warming only decreases vegetation, but when we include the effects of CO2 on plant physiology, vegetated area increases by ∼23% relative to the preindustrial simulation. This greening occurs even without significant increases in precipitation, as high CO2 increases plant water use efficiency, allowing for more vegetation in arid and hot regions. Our results show that CO2‐induced vegetation changes affect climate by amplifying high latitude warming, cooling some areas of the tropics, and shifting global precipitation patterns. Our results highlight the importance of including climate‐vegetation feedbacks in Earth system modeling.
INTERSTAARS: Attention training for infants with elevated likelihood of developing ADHD: A proof-of-concept randomised controlled trial
Authors: Goodwin Amy , Jones Emily J. H. , Salomone Simona , Mason Luke , Holman Rebecca , Begum-Ali Jannath , Hunt Anna , Ruddock Martin , Vamvakas George , Robinson Emily , Holden Catherine J. , Taylor Chloë , Smith Tim J. , Sonuga-Barke Edmund , Bolton Patrick , Charman Tony , Pickles Andrew , Wass Sam , Johnson Mark H. ,   and the INTERSTAARS team
Published: December 2021

Attention-deficit/hyperactivity disorder (ADHD) is first diagnosed during middle childhood, when patterns of difficulty are often established. Pre-emptive approaches that strengthen developing cognitive systems could offer an alternative to post-diagnostic interventions. This proof-of-concept randomised controlled trial (RCT) tested whether computerised gaze-based attention training is feasible and improves attention in infants liable to develop ADHD. Forty-three 9- to 16-month-old infants with a first-degree relative with ADHD were recruited (11/2015–11/2018) at two UK sites and randomised with minimisation by site and sex to receive 9 weekly sessions of either (a) gaze-contingent attention training (intervention; n = 20); or (b) infant-friendly passive viewing of videos (control, n = 23). Sessions were delivered at home with blinded outcome assessments. The primary outcome was a composite of attention measures jointly analysed via a multivariate ANCOVA with a combined effect size (ES) from coefficients at baseline, midpoint and endpoint (Registration: ISRCTN37683928). Uptake and compliance was good but intention-to-treat analysis showed no significant differences between 20 intervention and 23 control infants on primary (ES −0.4, 95% CI −0.9 to 0.2; Complier-Average-Causal Effect ES −0.6, 95% CI −1.6 to 0.5) or secondary outcomes (behavioural attention). There were no adverse effects on sleep but a small increase in post-intervention session fussiness. Although feasible, there was no support for short-term effects of gaze-based attention training on attention skills in early ADHD. Longer-term outcomes remain to be assessed. The study highlights challenges and opportunities for pre-emptive intervention approaches to the management of ADHD.
Predictors of diagnostic transition from major depressive disorder to bipolar disorder: a retrospective observational network study
Authors: Nestsiarovich Anastasiya , Reps Jenna M. , Matheny Michael E. , DuVall Scott L. , Lynch Kristine E. , Beaton Maura , Jiang Xinzhuo , Spotnitz Matthew , Pfohl Stephen R. , Shah Nigam H. , Torre Carmen Olga , Reich Christian G. , Lee Dong Yun , Son Sang Joon , You Seng Chan , Park Rae Woong , Ryan Patrick B. , Lambert Christophe G.
Published: December 2021

Many patients with bipolar disorder (BD) are initially misdiagnosed with major depressive disorder (MDD) and are treated with antidepressants, whose potential iatrogenic effects are widely discussed. It is unknown whether MDD is a comorbidity of BD or its earlier stage, and no consensus exists on individual conversion predictors, delaying BD’s timely recognition and treatment. We aimed to build a predictive model of MDD to BD conversion and to validate it across a multi-national network of patient databases using the standardization afforded by the Observational Medical Outcomes Partnership (OMOP) common data model. Five “training” US databases were retrospectively analyzed: IBM MarketScan CCAE, MDCR, MDCD, Optum EHR, and Optum Claims. Cyclops regularized logistic regression models were developed on one-year MDD-BD conversion with all standard covariates from the HADES PatientLevelPrediction package. Time-to-conversion Kaplan-Meier analysis was performed up to a decade after MDD, stratified by model-estimated risk. External validation of the final prediction model was performed across 9 patient record databases within the Observational Health Data Sciences and Informatics (OHDSI) network internationally. The model’s area under the curve (AUC) varied 0.633–0.745 (µ = 0.689) across the five US training databases. Nine variables predicted one-year MDD-BD transition. Factors that increased risk were: younger age, severe depression, psychosis, anxiety, substance misuse, self-harm thoughts/actions, and prior mental disorder. AUCs of the validation datasets ranged 0.570–0.785 (µ = 0.664). An assessment algorithm was built for MDD to BD conversion that allows distinguishing as much as 100-fold risk differences among patients and validates well across multiple international data sources.
CPEB3 deficiency in mice affect ovarian follicle development and causes premature ovarian insufficiency
Authors: E. Fang , Zhang He , Yin Wanli , Wang Chongyang , Liu Yuanli , Li Yanze , Wang Linlin , Wu Yue , Zhang Runze , Zou Chendan , Song Tianjun , Matunda Cedric , Zou Chaoxia , Gao Xu
Published: December 2021

Premature ovarian insufficiency (POI) is a heterogeneous and multifactorial disorder. In recent years, there has been an increasing interest in research on the pathogenesis and treatment of POI, owing to the implementation of the second-child policy in China. Cytoplasmic polyadenylation element-binding protein 3 (CPEB3) is an RNA-binding protein that can bind to specific RNA sequences. CPEB3 can bind to and affect the expression, cellular location, and stability of target RNAs. Cpeb3 is highly expressed in the ovary; however, its functions remain unknown. In this study, Cpeb3-mutant mice were used to characterize the physiological functions of CPEB3. Cpeb3-mutant female mice manifested signs of gradual loss of ovarian follicles, ovarian follicle development arrest, increased follicle atresia, and subfertility with a phenotype analogous to POI in women. Further analysis showed that granulosa cell proliferation was inhibited and apoptosis was markedly increased in Cpeb3-mutant ovaries. In addition, the expression of Gdf9, a potential target of CPEB3, was decreased in Cpeb3-mutant ovaries and oocytes. Altogether, these results reveal that CPEB3 is essential for ovarian follicle development and female fertility as it regulates the expression of Gdf9 in oocytes, disruption of which leads to impaired ovarian follicle development and POI.
Colorectal cancer-associated fibroblasts promote metastasis by up-regulating LRG1 through stromal IL-6/STAT3 signaling
Authors: Zhong Beiping , Cheng Bing , Huang Xiaoming , Xiao Qian , Niu Zhitong , Chen Yu-feng , Yu Qiang , Wang Wenyu , Wu Xiao-Jian
Published: December 2021

Cancer-associated fibroblasts (CAFs) have been shown to play a strong role in colorectal cancer metastasis, yet the underlying mechanism remains to be fully elucidated. Using CRC clinical samples together with ex vivo CAFs-CRC co-culture models, we found that CAFs induce expression of Leucine Rich Alpha-2-Glycoprotein 1(LRG1) in CRC, where it shows markedly higher expression in metastatic CRC tissues compared to primary tumors. We further show that CAFs-induced LRG1 promotes CRC migration and invasion that is concomitant with EMT (epithelial-mesenchymal transition) induction. In addition, this signaling axis has also been confirmed in the liver metastatic mouse model which displayed CAFs-induced LRG1 substantially accelerates metastasis. Mechanistically, we demonstrate that CAFs-secreted IL-6 (interleukin-6) is responsible for LRG1 up-regulation in CRC, which occurs through a direct transactivation by STAT3 following JAK2 activation. In clinical CRC tumor samples, LRG1 expression was positively correlated with CAFs-specific marker, α-SMA, and a higher LRG1 expression predicted poor clinical outcomes especially distant metastasis free survival, supporting the role of LRG1 in CRC progression. Collectively, this study provided a novel insight into CAFs-mediated metastasis in CRC and indicated that therapeutic targeting of CAFs-mediated IL-6-STAT3-LRG1 axis might be a potential strategy to mitigate metastasis in CRC.
WTIP upregulates FOXO3a and induces apoptosis through PUMA in acute myeloid leukemia
Authors: Zhu Yunqi , Tong Xiangmin , Wang Ying , Lu Xiaoya
Published: December 2021

Acute myeloid leukemia (AML) is an aggressive and heterogeneous clonal hematologic malignancy for which novel therapeutic targets and strategies are required. Emerging evidence suggests that WTIP is a candidate tumor suppressor. However, the molecular mechanisms of WTIP in leukemogenesis have not been explored. Here, we report that WTIP expression is significantly reduced both in AML cell lines and clinical specimens compared with normal controls, and low levels of WTIP correlate with decreased overall survival in AML patients. Overexpression of WTIP inhibits cell proliferation and induces apoptosis both in vitro and in vivo. Mechanistic studies reveal that the apoptotic function of WTIP is mediated by upregulation and nuclear translocation of FOXO3a, a member of Forkhead box O (FOXO) transcription factors involved in tumor suppression. We further demonstrate that WTIP interacts with FOXO3a and transcriptionally activates FOXO3a. Upon transcriptional activation of FOXO3a, its downstream target PUMA is increased, leading to activation of the intrinsic apoptotic pathway. Collectively, our results suggest that WTIP is a tumor suppressor and a potential target for therapeutic intervention in AML.
Nuclear factor I-C disrupts cellular homeostasis between autophagy and apoptosis via miR-200b-Ambra1 in neural tube defects
Authors: Huang Wanqi , Huang Tianchu , Liu Yusi , Fu Jialin , Wei Xiaowei , Liu Dan , Ma Wei , Gu Hui , Yuan Zhengwei
Published: December 2021

Impaired autophagy and excessive apoptosis disrupt cellular homeostasis and contribute to neural tube defects (NTDs), which are a group of fatal and disabling birth defects caused by the failure of neural tube closure during early embryonic development. However, the regulatory mechanisms underlying NTDs and outcomes remain elusive. Here, we report the role of the transcription factor nuclear factor I-C (NFIC) in maintaining cellular homeostasis in NTDs. We demonstrated that abnormally elevated levels of NFIC in a mouse model of NTDs can interact with the miR-200b promoter, leading to the activation of the transcription of miR-200b, which plays a critical role in NTD formation, as reported in our previous study. Furthermore, miR-200b represses autophagy and triggers apoptosis by directly targeting the autophagy-related gene Ambra1 (Autophagy/Beclin1 regulator 1). Notably, miR-200b inhibitors mitigate the unexpected effects of NFIC on autophagy and apoptosis. Collectively, these results indicate that the NFIC-miR-200b-Ambra1 axis, which integrates transcription- and epigenome-regulated miRNAs and an autophagy regulator, disrupts cellular homeostasis during the closure of the neural tube, and may provide new insight into NTD pathogenesis.
Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM
Authors: Wang Yifan , Xu Cong , Wang Yanxing , Hong Qin , Zhang Chao , Li Zuyang , Xu Shiqi , Zuo Qinyu , Liu Caixuan , Huang Zhong , Cong Yao
Published: December 2021

The emergence of SARS-CoV-2 Kappa and Beta variants with enhanced transmissibility and resistance to neutralizing antibodies has created new challenges for the control of the ongoing COVID-19 pandemic. Understanding the structural nature of Kappa and Beta spike (S) proteins and their association with ACE2 is of significant importance. Here we present two cryo-EM structures for each of the Kappa and Beta spikes in the open and open-prone transition states. Compared with wild-type (WT) or G614 spikes, the two variant spikes appear more untwisted/open especially for Beta, and display a considerable population shift towards the open state as well as more pronounced conformational dynamics. Moreover, we capture four conformational states of the S-trimer/ACE2 complex for each of the two variants, revealing an enlarged conformational landscape for the Kappa and Beta S-ACE2 complexes and pronounced population shift towards the three RBDs up conformation. These results implicate that the mutations in Kappa and Beta may modify the kinetics of receptor binding and viral fusion to improve virus fitness. Combined with biochemical analysis, our structural study shows that the two variants are enabled to efficiently interact with ACE2 receptor despite their sensitive ACE2 binding surface is modified to escape recognition by some potent neutralizing MAbs. Our findings shed new light on the pathogenicity and immune evasion mechanism of the Beta and Kappa variants.
Influence of shape resonances on the angular dependence of molecular photoionization delays
Authors: Holzmeier F. , Joseph J. , Houver J. C. , Lebech M. , Dowek D. , Lucchese R. R.
Published: December 2021

Characterizing time delays in molecular photoionization as a function of the ejected electron emission direction relative to the orientation of the molecule and the light polarization axis provides unprecedented insights into the attosecond dynamics induced by extreme ultraviolet or X-ray one-photon absorption, including the role of electronic correlation and continuum resonant states. Here, we report completely resolved experimental and computational angular dependence of single-photon ionization delays in NO molecules across a shape resonance, relying on synchrotron radiation and time-independent ab initio calculations. The angle-dependent time delay variations of few hundreds of attoseconds, resulting from the interference of the resonant and non-resonant contributions to the dynamics of the ejected electron, are well described using a multichannel Fano model where the time delay of the resonant component is angle-independent. Comparing these results with the same resonance computed in e-NO+ scattering highlights the connection of photoionization delays with Wigner scattering time delays.
Domain-selective thermal decomposition within supramolecular nanoribbons
Authors: Cho Yukio , Christoff-Tempesta Ty , Kim Dae-Yoon , Lamour Guillaume , Ortony Julia H.
Published: December 2021

Self-assembly of small molecules in water provides a powerful route to nanostructures with pristine molecular organization and small dimensions (<10 nm). Such assemblies represent emerging high surface area nanomaterials, customizable for biomedical and energy applications. However, to exploit self-assembly, the constituent molecules must be sufficiently amphiphilic and satisfy prescribed packing criteria, dramatically limiting the range of surface chemistries achievable. Here, we design supramolecular nanoribbons that contain: (1) inert and stable internal domains, and (2) sacrificial surface groups that are thermally labile, and we demonstrate complete thermal decomposition of the nanoribbon surfaces. After heating, the remainder of each constituent molecule is kinetically trapped, nanoribbon morphology and internal organization are maintained, and the nanoribbons are fully hydrophobic. This approach represents a pathway to form nanostructures that circumvent amphiphilicity and packing parameter constraints and generates structures that are not achievable by self-assembly alone, nor top-down approaches, broadening the utility of molecular nanomaterials for new targets.
Unveiling the three-dimensional magnetic texture of skyrmion tubes
Authors: Wolf Daniel , Schneider Sebastian , Rößler Ulrich K. , Kovács András , Schmidt Marcus , Dunin-Borkowski Rafal E. , Büchner Bernd , Rellinghaus Bernd , Lubk Axel
Published: December 2021

Magnetic skyrmions are stable topological solitons with complex non-coplanar spin structures. Their nanoscopic size and the low electric currents required to control their motion has opened a new field of research, skyrmionics, that aims for the usage of skyrmions as information carriers. Further advances in skyrmionics call for a thorough understanding of their three-dimensional (3D) spin texture, skyrmion–skyrmion interactions and the coupling to surfaces and interfaces, which crucially affect skyrmion stability and mobility. Here, we quantitatively reconstruct the 3D magnetic texture of Bloch skyrmions with sub-10-nanometre resolution using holographic vector-field electron tomography. The reconstructed textures reveal local deviations from a homogeneous Bloch character within the skyrmion tubes, details of the collapse of the skyrmion texture at surfaces and a correlated modulation of the skyrmion tubes in FeGe along their tube axes. Additionally, we confirm the fundamental principles of skyrmion formation through an evaluation of the 3D magnetic energy density across these magnetic solitons.
Influence of a Darcy-Forchheimer porous medium on the flow of a radiative magnetized rotating hybrid nanofluid over a shrinking surface
Authors: Dero Sumera , Shaikh Hisamuddin , Talpur Ghulam Hyder , Khan Ilyas , Alharbim Sayer O. , Andualem Mulugeta
Published: December 2021

In this paper, the heat transfer properties in the three-dimensional (3D) magnetized with the Darcy-Forchheimer flow over a shrinking surface of the $$Cu + Al_{2} O_{3} /$$

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u
+
A

l
2

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3

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water hybrid nanofluid with radiation effect were studied. Valid linear similarity variables convert the partial differential equations (PDEs) into the ordinary differential equations (ODEs). With the help of the shootlib function in the Maple software, the generalized model in the form of ODEs is numerically solved by the shooting method. Shooting method can produce non-unique solutions when correct initial assumptions are suggested. The findings are found to have two solutions, thereby contributing to the introduction of a stability analysis that validates the attainability of first solution. Stability analysis is performed by employing if bvp4c method in MATLAB software. The results show limitless values of dual solutions at many calculated parameters allowing the turning points and essential values to not exist. Results reveal that the presence of dual solutions relies on the values of the porosity, coefficient of inertia, magnetic, and suction parameters for the specific values of the other applied parameters. Moreover, it has been noted that dual solutions exist in the ranges of $$F_{s} \le F_{sc}$$

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s

≤

F

sc

, $$M \ge M_{C}$$

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≥

M
C

,$$S \ge S_{C} ,$$

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≥

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C

,

and $$K_{C} \le K$$

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C

≤
K

whereas no solution exists in the ranges of $$F_{s} > F_{sc}$$

F
s

>

F

sc

, $$M < M_{c}$$

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<

M
c

, $$S < S_{c}$$

S
<

S
c

, and $$K_{C} > K$$

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C

>
K

. Further, a reduction in the rate of heat transfer is noticed with a rise in the parameter of the copper solid volume fraction.
Scaling the U-net: segmentation of biodegradable bone implants in high-resolution synchrotron radiation microtomograms
Authors: Baltruschat Ivo M. , Ćwieka Hanna , Krüger Diana , Zeller-Plumhoff Berit , Schlünzen Frank , Willumeit-Römer Regine , Moosmann Julian , Heuser Philipp
Published: December 2021

Highly accurate segmentation of large 3D volumes is a demanding task. Challenging applications like the segmentation of synchrotron radiation microtomograms (SRμCT) at high-resolution, which suffer from low contrast, high spatial variability and measurement artifacts, readily exceed the capacities of conventional segmentation methods, including the manual segmentation by human experts. The quantitative characterization of the osseointegration and spatio-temporal biodegradation process of bone implants requires reliable, and very precise segmentation. We investigated the scaling of 2D U-net for high resolution grayscale volumes by three crucial model hyper-parameters (i.e., the model width, depth, and input size). To leverage the 3D information of high-resolution SRμCT, common three axes prediction fusing is extended, investigating the effect of adding more than three axes prediction. In a systematic evaluation we compare the performance of scaling the U-net by intersection over union (IoU) and quantitative measurements of osseointegration and degradation parameters. Overall, we observe that a compound scaling of the U-net and multi-axes prediction fusing with soft voting yields the highest IoU for the class “degradation layer”. Finally, the quantitative analysis showed that the parameters calculated with model segmentation deviated less from the high quality results than those obtained by a semi-automatic segmentation method.
Pan-cancer classification by regularized multi-task learning
Authors: Hossain Sk Md Mosaddek , Khatun Lutfunnesa , Ray Sumanta , Mukhopadhyay Anirban
Published: December 2021

Classifying pan-cancer samples using gene expression patterns is a crucial challenge for the accurate diagnosis and treatment of cancer patients. Machine learning algorithms have been considered proven tools to perform downstream analysis and capture the deviations in gene expression patterns across diversified diseases. In our present work, we have developed PC-RMTL, a pan-cancer classification model using regularized multi-task learning (RMTL) for classifying 21 cancer types and adjacent normal samples using RNASeq data obtained from TCGA. PC-RMTL is observed to outperform when compared with five state-of-the-art classification algorithms, viz. SVM with the linear kernel (SVM-Lin), SVM with radial basis function kernel (SVM-RBF), random forest (RF), k-nearest neighbours (kNN), and decision trees (DT). The PC-RMTL achieves 96.07% accuracy and 95.80% MCC score for a completely unknown independent test set. The only method that appears as the real competitor is SVM-Lin, which nearly equalizes the accuracy in prediction of PC-RMTL but only when complete feature sets are provided for training; otherwise, PC-RMTL outperformed all other classification models. To the best of our knowledge, this is a significant improvement over all the existing works in pan-cancer classification as they have failed to classify many cancer types from one another reliably. We have also compared gene expression patterns of the top discriminating genes across the cancers and performed their functional enrichment analysis that uncovers several interesting facts in distinguishing pan-cancer samples.
Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints
Authors: Shang Shun-Li , Sun Hui , Pan Bo , Wang Yi , Krajewski Adam M. , Banu Mihaela , Li Jingjing , Liu Zi-Kui
Published: December 2021

Forming metallurgical phases has a critical impact on the performance of dissimilar materials joints. Here, we shed light on the forming mechanism of equilibrium and non-equilibrium intermetallic compounds (IMCs) in dissimilar aluminum/steel joints with respect to processing history (e.g., the pressure and temperature profiles) and chemical composition, where the knowledge of free energy and atomic diffusion in the Al–Fe system was taken from first-principles phonon calculations and data available in the literature. We found that the metastable and ductile (judged by the presently predicted elastic constants) Al6Fe is a pressure (P) favored IMC observed in processes involving high pressures. The MoSi2-type Al2Fe is brittle and a strong P-favored IMC observed at high pressures. The stable, brittle η-Al5Fe2 is the most observed IMC (followed by θ-Al13Fe4) in almost all processes, such as fusion/solid-state welding and additive manufacturing (AM), since η-Al5Fe2 is temperature-favored, possessing high thermodynamic driving force of formation and the fastest atomic diffusivity among all Al–Fe IMCs. Notably, the ductile AlFe3, the less ductile AlFe, and most of the other IMCs can be formed during AM, making AM a superior process to achieve desired IMCs in dissimilar materials. In addition, the unknown configurations of Al2Fe and Al5Fe2 were also examined by machine learning based datamining together with first-principles verifications and structure predictions. All the IMCs that are not P-favored can be identified using the conventional equilibrium phase diagram and the Scheil-Gulliver non-equilibrium simulations.
Surgical treatment of valve endocarditis in high-risk patients and predictors of long-term outcomes
Authors: Nasso Giuseppe , Santarpino Giuseppe , Moscarelli Marco , Condello Ignazio , Dell’Aquila Angelo Maria , Peivandi Armin Darius , Gaudino Mario , Fiore Flavio , Mastroroberto Pasquale , Di Bari Nicola , Speziale Giuseppe
Published: December 2021

Infective endocarditis represents a surgical challenge associated with perioperative mortality. The aim of this study is to evaluate the predictors of operative mortality and long-term outcomes in high-risk patients. We retrospectively analyzed 123 patients operated on for infective endocarditis from January 2011 to December 2020. Logistic regression model was used to identify prognostic factors of in-hospital mortality. Long term follow-up was made to asses late prognosis. Preoperative renal failure, an elevation EuroSCORE II and prior aortic valve re-replacement were found to be preoperative risk factors significantly associated with mortality. In-hospital mortality was 27% in patients who had previously undergone aortic valve replacement (n = 4 out of 15 operated, p = 0.01). Patients who were operated on during the active phase of infective endocarditis showed a higher mortality rate than those operated on after the acute phase (16% vs. 0%; p = 0.02). The type of prosthesis used (biological or mechanical) was not associated with mortality, whereas cross-clamp time significantly correlated with mortality (mean cross-clamp time 135 ± 65 min in dead patients vs. 76 ± 32 min in surviving patients; p = 0.0005). Mean follow up was 57.94 ± 30.9 months. Twelve patients died (11.65%). Among the twelve mortalities, five were adjudicated to cardiac causes and seven were non-cardiac (two cancers, one traumatic accident, one cerebral hemorrhage, two bronchopneumonia, one peritonitis). Overall survival probability (freedom from death, all causes) at 3, 5, 7 and 8 years was 98.9% (95% CI 97–100%), 96% (95% CI 92–100%), 85.9% (95% CI 76–97%), and 74% (95% CI 60–91%) respectively. Our study demonstrates that an early surgical approach may represent a valuable treatment option for high-risk patients with infective endocarditis, also in case of prosthetic valve endocarditis. Although several risk factors are associated with higher mortality, no patient subset is inoperable. These findings can be helpful to inform decision-making in heart team discussion.
GuPPy, a Python toolbox for the analysis of fiber photometry data
Authors: Sherathiya Venus N. , Schaid Michael D. , Seiler Jillian L. , Lopez Gabriela C. , Lerner Talia N.
Published: December 2021

Fiber photometry (FP) is an adaptable method for recording in vivo neural activity in freely behaving animals. It has become a popular tool in neuroscience due to its ease of use, low cost, the ability to combine FP with freely moving behavior, among other advantages. However, analysis of FP data can be challenging for new users, especially those with a limited programming background. Here, we present Guided Photometry Analysis in Python (GuPPy), a free and open-source FP analysis tool. GuPPy is designed to operate across computing platforms and can accept data from a variety of FP data acquisition systems. The program presents users with a set of graphic user interfaces (GUIs) to load data and provide input parameters. Graphs are produced that can be easily exported for integration into scientific figures. As an open-source tool, GuPPy can be modified by users with knowledge of Python to fit their specific needs.
Transcriptomic profiling and pathway analysis of cultured human lung microvascular endothelial cells following ionizing radiation exposure
Authors: Bouten Roxane M. , Dalgard Clifton L. , Soltis Anthony R. , Slaven John E. , Day Regina M.
Published: December 2021

The vascular system is sensitive to radiation injury, and vascular damage is believed to play a key role in delayed tissue injury such as pulmonary fibrosis. However, the response of endothelial cells to radiation is not completely understood. We examined the response of primary human lung microvascular endothelial cells (HLMVEC) to 10 Gy (1.15 Gy/min) X-irradiation. HLMVEC underwent senescence (80–85%) with no significant necrosis or apoptosis. Targeted RT-qPCR showed increased expression of genes CDKN1A and MDM2 (10–120 min). Western blotting showed upregulation of p2/waf1, MDM2, ATM, and Akt phosphorylation (15 min–72 h). Low levels of apoptosis at 24–72 h were identified using nuclear morphology. To identify novel pathway regulation, RNA-seq was performed on mRNA using time points from 2 to 24 h post-irradiation. Gene ontology and pathway analysis revealed increased cell cycle inhibition, DNA damage response, pro- and anti- apoptosis, and pro-senescence gene expression. Based on published literature on inflammation and endothelial-to-mesenchymal transition (EndMT) pathway genes, we identified increased expression of pro-inflammatory genes and EndMT-associated genes by 24 h. Together our data reveal a time course of integrated gene expression and protein activation leading from early DNA damage response and cell cycle arrest to senescence, pro-inflammatory gene expression, and endothelial-to-mesenchymal transition.
Experimental investigation on n-butanol/methyl oleate dual fuel RCCI combustion in a single cylinder engine at high-load condition
Authors: Wang Xin , Zhang Qian , Liu Fangjie , Jin Yifan , Li Xin
Published: December 2021

Reactivity controlled compression ignition (RCCI) engines have a high thermal efficiency as well as low emissions of soot and nitrogen oxides (NOx). However, there is a conflict between combustion stability and harmful emissions at high engine load. Therefore, this work presented a novel approach for regulating n-butanol/methyl oleate dual fuel RCCI at high engine load in attaining lower pollutant emissions while maintaining stable combustion and avoiding excessive in-cylinder pressure. The tests were conducted on a single cylinder engine under rated speed and 90% full load. In this study, n-butanol was selected as a low-reactivity fuel for port injection, and n-butanol/methyl oleate blended fuel was used for in-cylinder direct injection. Combustion and emission characteristics of the engine were first investigated with varied ratios of n-butanol port injection (PFI) and direct injection (DI). Results showed that as the ratio of n-butanol PFI and DI rose, the peak cylinder pressure and heat release rate increased, while NOx and soot emissions reduced, and carbon monoxide (CO) and hydrocarbon (HC) emissions increased under most test conditions. When RNBPI = 40% and RNBDI = 20%, the soot and NOx emissions of the engine were near the lowest values of all test conditions, yet the peak in-cylinder pressure and fuel consumption could not increase significantly. Therefore, the possibility of optimizing the combustion process and lowering emissions by adjusting the pilot injection strategy was investigated utilizing these fuel injection ratios. The results revealed that with an appropriate pilot injection ratio and interval, the peak in-cylinder pressure and NOx emission were definitely reduced, while soot, CO, and HC emissions did not significantly increase.
Design and development of a multi-functional bi-anisotropic metasurface with ultra-wide out of band transmission
Authors: Ahmed Fahad , Tamoor Tania , Hassan Tayyab , Shoaib Nosherwan , Alomainy Akram , Abbasi Qammer H.
Published: December 2021

This paper presents a multi-functional bi-anisotropic metasurface having ultra-wide out of band transmission characteristics. The proposed metasurface is comprised of 90° rotated T-shaped configuration yielding greater than or equal to 50% out-of-band transmission from above L- to X-band. Moreover, this metasurface achieves a maximum of 99% out-of-band transmission at lower frequency bands (i.e., L-band). The simultaneous absorptive and controlled reflection functionalities are achieved at 15.028 to 15.164 GHz along with polarization-insensitive and angular stable properties. The proposed metasurface yields state-of-the-art features compared to already published papers and has broader scope for Fabry Perot cavity, Radar cross-section (RCS) reduction, electromagnetic compatibility and interference (EMC/I) shielding, selective multi-frequency bolometers, ultrathin wave trapping filters, sensors and beam-splitters in the microwave domain.
The associations between infertility-related stress, family adaptability and family cohesion in infertile couples
Authors: Lei Anjiang , You Huaxuan , Luo Biru , Ren Jianhua
Published: December 2021

To explore the association between infertility-related stress, family adaptability and family cohesion in infertile couples and the determinants of infertility-related stress in infertile couples. Fertility Problem Inventory (FPI) and Family Adaptability and Cohesion Evaluation Scales (FACESII-CV) were used to measure the infertility-related stress and family adaptability and cohesion of infertile couples. T-test, ANOVA and multiple comparisons (LSD) were conducted to compare the FPI scores of different demographic characteristics subgroups. Stepwise multivariate linear regression was used to explore the determinants of infertility-related stress. Women had greater global stress than men (P < 0.001). Women scored higher on desired family adaptability, cohesion dissatisfaction and adaptive dissatisfaction than men (P = 0.039, P = 0.036, P = 0.008). FPI scores were higher in men and women who lived in rural (P < 0.001, P < 0.001). Family cohesion and education level was negatively correlated with infertility-related stress in men. Family adaptability and education level was negatively correlated with infertility-related stress in women. Healthcare providers should pay more attention and give more support to infertile couples who lived in rural or with low education level, and provide easier medical accessing for them. Moreover, healthcare providers should value more the family function and family support in intervention of reducing infertility-related stress.
Accelerated mass loss of Himalayan glaciers since the Little Ice Age
Authors: Lee Ethan , Carrivick Jonathan L. , Quincey Duncan J. , Cook Simon J. , James William H. M. , Brown Lee E.
Published: December 2021

Himalayan glaciers are undergoing rapid mass loss but rates of contemporary change lack long-term (centennial-scale) context. Here, we reconstruct the extent and surfaces of 14,798 Himalayan glaciers during the Little Ice Age (LIA), 400 to 700 years ago. We show that they have lost at least 40 % of their LIA area and between 390 and 586 km3 of ice; 0.92 to 1.38 mm Sea Level Equivalent. The long-term rate of ice mass loss since the LIA has been between − 0.011 and − 0.020 m w.e./year, which is an order of magnitude lower than contemporary rates reported in the literature. Rates of mass loss depend on monsoon influence and orographic effects, with the fastest losses measured in East Nepal and in Bhutan north of the main divide. Locally, rates of loss were enhanced with the presence of surface debris cover (by 2 times vs clean-ice) and/or a proglacial lake (by 2.5 times vs land-terminating). The ten-fold acceleration in ice loss we have observed across the Himalaya far exceeds any centennial-scale rates of change that have been recorded elsewhere in the world.
Corneal Scheimpflug topography values to distinguish between normal eyes, ocular allergy, and keratoconus in children
Authors: Vieira Matheus Ivan Schmitz , Jammal Alessandro Adad , Arieta Carlos Eduardo Leite , Alves Monica , de Vasconcellos Jose Paulo Cabral
Published: December 2021

To identify and compare keratometric, corneal thickness, and elevation parameters and indices among healthy children, ocular allergy, and keratoconus using the OCULUS Pentacam Scheimpflug topography system. This study included healthy children, children with ocular allergy (OA) without keratoconus, and children with keratoconus (KC). The study design consisted of a prospective evaluation and review of medical records from a Brazilian ophthalmology department. The exclusion criteria were inability to undergo the ocular exam, other ocular diseases, contact lens wear, and topographic corneal ectasia. The effect of each corneal parameter was evaluated using univariate and multivariate logistic regression models adjusted for sex and age, and ROC curves were used to assess the ability each variable to discriminate among groups. A total of 182 subjects were included: healthy children (n = 99), children with OA (n = 32), and children with KC (n = 51). Groups differed in terms of sex, with more males in the OA group (73.2%) and the KC group (67.7%) than in the control group (40.9%). All corneal parameters studied differed significantly between the control and KC groups, and between the OA and KC groups; they also differed significantly between the three groups in terms of astigmatism, q-value, CCT, TP, BAD-D, and ARTmax values. We present the first study to describe and compare corneal tomographic parameters in healthy children, OA, and KC. Keratometry indices, ACD, ARTmax, AETP, and PETP were found to be the most useful for differentiating between healthy and KC children.

IBR registry number: CAAE 54921916.9.0000.5404.
Highly sensitive detection of Tb3+ and ATP based on a novel asymmetric anthracene derivative
Authors: Zhao Song , Jiang Hongbo , Gong Chengbin , Qi Wenjing , Hu Lianzhe , Zhang Yan
Published: December 2021

Detection mechanism and effect of SSAPA for Tb3+ and ATP detection.
Cobalt-catalyzed highly diastereoselective [3 + 2] carboannulation reactions: facile access to substituted indane derivatives
Authors: Dey Arnab , Singh Anurag , Volla Chandra M. R.
Published: December 2021

Cobalt(ii)-catalyzed oxidative annulation of hydrazones with heterobicyclic alkenes has been accomplished for accessing functionalized indane derivatives under aerobic conditions.
Highly efficient catalytic oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid using bimetallic Pt–Cu alloy nanoparticles as catalysts
Authors: Cheng Xiaomeng , Li Shaopeng , Liu Shulin , Xin Yu , Yang Junjuan , Chen Bingfeng , Liu Huizhen
Published: December 2021

Bimetallic Pt–Cu alloy nanoparticles were used as highly active and selective catalysts for the oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) under base-free conditions.
Polyhalogenated aminobenzonitrilesvs.their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence
Authors: Vaganova Tamara A. , Benassi Enrico , Gatilov Yurij V. , Chuikov Igor P. , Pishchur Denis P. , Malykhin Evgenij V.
Published: December 2021

Strengthening (para-isomers) or weakening (ortho-isomers) of π-electron aggregation due to the crystal structure rearrangement results in the bathochromic or hypsochromic shift of the fluorescence maximum.
The effect of pressure on the structural, electronic and vibrational properties of solid carbon dioxide phases
Authors: Li Wen-Guang , Gan Yun-Dan , Bai Zhi-Xin , Li Xing-Han , Liu Fu-Sheng , Liu Zheng-Tang , Liu Qi-Jun , Hong Dan , Chang Xiang-Hui
Published: December 2021

The effect of pressure causes the band gap of solid carbon dioxide to increase first and then decrease. This work explains this phenomenon in terms of charge density and atomic orbitals.
Biocatalysis making waves in organic chemistry
Authors: Hanefeld Ulf , Hollmann Frank , Paul Caroline E.
Published: December 2021

The many waves of biocatalysis have arisen to solve long-standing synthetic challenges. From industrially applied hydrolases to enzymes catalysing selective C–C-bond formation, biocatalysis enables new tools to access a plethora of compounds.
Effects of biofouling on the uptake of perfluorinated alkyl acids by organic-diffusive gradients in thin films passive samplers
Authors: Wang Po , Challis Jonathan K. , He Zi-Xuan , Wong Charles S. , Zeng Eddy Y.
Published: December 2021

Biofouling did not significantly influence o-DGT performance for common PFAS during long-term deployment under flowing conditions, but the additional diffusive distance through biofilms may need correction under static conditions.
On-board smartphone micromotor-based fluorescence assays
Authors: Yuan Kaisong , de la Asunción-Nadal Víctor , Cuntín-Abal Carmen , Jurado-Sánchez Beatriz , Escarpa Alberto
Published: December 2021

Herein, we describe the design of a portable device integrated with micromotors for real-time fluorescence sensing of (bio)markers.
Structural insights into Lewis acid- and F4TCNQ-doped conjugated polymers by solid-state magnetic resonance spectroscopy
Authors: Dixon Alana L. , Vezin Hervé , Nguyen Thuc-Quyen , Reddy G. N. Manjunatha
Published: December 2021

Polymer–dopant intermolecular interactions characterized by solid-state NMR and EPR spectroscopy techniques offer clues about the different doping mechanisms and efficiencies.
Hierarchically porous activated carbons prepared via a dissipative process: a high-capacity cathode for Li-ion capacitors
Authors: Cao Qi , Ning Guoqing , Yang Fan , Wang Ye , Li Bofeng , Ma Xinlong
Published: December 2021

Hierarchically porous activated carbons (PACs) are synthesized by a tableting-activation method. As a cathode for LICs, the optimal PACs exhibit an ultrahigh specific capacity of 251 mA h g−1 at 0.5 A g−1 and still retain 158 mA h g−1 at 15 A g−1.
Transdermal delivery of poly-hyaluronic acid-based spherical nucleic acids for chemogene therapy
Authors: Jiang Kai , Zhao Di , Ye Rui , Liu Xinlong , Gao Chao , Guo Yuanyuan , Zhang Chuan , Zeng Jian , Wang Shi , Song Jie
Published: December 2021

PHAAD NPs, PHA-based spherical nucleic acids, represent a new transdermal delivery system for efficient combinatorial chemo and gene therapy for HS therapy.
Retraction: A highly antibacterial polymeric hybrid micelle with efficiently targeted anticancer siRNA delivery and anti-infection in vitro/in vivo
Authors: Zhou Li , Xi Yuewei , Chen Mi , Niu Wen , Wang Min , Ma Peter X. , Lei Bo
Published: December 2021

Retraction of ‘A highly antibacterial polymeric hybrid micelle with efficiently targeted anticancer siRNA delivery and anti-infection in vitro/in vivo’ by Li Zhou et al., Nanoscale, 2018, 10, 17304–17317, DOI: 10.1039/C8NR03001D.
Electrochemically-mediated C–H functionalization of allenes and 1,3-dicarbonyl compounds to construct tetrasubstituted furans
Authors: He Mu-Xue , Yao Yan , Ai Chun-Zhi , Mo Zu-Yu , Wu Yu-Zheng , Zhou Qi , Pan Ying-Ming , Tang Hao-Tao
Published: December 2021

We reported an electrocatalytic C–H activation method to construct novel highly functionalized tetrasubstituted furan derivatives, which uses allenes and 1,3-dicarbonyl compounds as substrates.
Au nanoparticle-decorated TiO2 hollow fibers with enhanced visible-light photocatalytic activity toward dye degradation
Authors: Panomsuwan Gasidit , Wongcharoen Sittan , Chokradcharoen Chayanapat , Tipplook Mongkol , Jongprateep Oratai , Saito Nagahiro
Published: December 2021

Plasmonic Au nanoparticles-decorated TiO2 hollow fibers with enhanced visible-light photocatalytic activity have been successfully prepared by a two-step process: (i) template method using kapok and (ii) solution plasma process.
Modification of carbon-based nanomaterials by polyglycerol: recent advances and applications
Authors: Rafiee Zeinab , Omidi Sakineh
Published: December 2021

Modification of carbon nanomaterials by hyperbranched polyglycerol improves their properties.
Superior nanopatterns via adjustable nanoimprint lithography on aluminum oxide in high-K thin films with ultraviolet curable polymer
Authors: Oh Jin Young , Kim Eun-Mi , Heo Gi-Seok , Kim Dong Hyun , Lee DongWook , Jeong Hae-Chang , Seo Dae-Shik
Published: December 2021

The present study substantiate that ultraviolet-nanoimprint lithography (UV-NIL) can be used to transfer a one-dimensional nano-pattern onto a high-k thin film of aluminum oxide mixed with a UV photocuring agent.
Direct synthesis of tetraalkoxysilanes in a high-pressure mechanochemical reactor
Authors: Krizhanovskiy Ilya N. , Temnikov Maxim N. , Anisimov Anton A. , Ratnikov Andrey K. , Levin Ivan S. , Naumkin Alexander V. , Chistovalov Sergey M. , Muzafarov Aziz M.
Published: December 2021

A high-pressure mechanochemical reactor was used for selective and solvent free conversion of gross technical grade silicon to tetraalkoxysilanes. This technique provided high silicon conversions and unprecedented low reaction temperature.
Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers
Authors: Dishman Sarah N. , Laconsay Croix J. , Fettinger James C. , Tantillo Dean J. , Shaw Jared T.
Published: December 2021

Intramolecular C–H insertions with donor/donor dirhodium carbenes provide a concise and highly stereoselective method to access trisubstituted benzodihydrofurans.
Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand
Authors: Zhou Weinan , Sarma Tridib , Su Yonghuan , Lei Chuanhu , Sessler Jonathan L.
Published: December 2021

Carbazole containing expanded carbaporphyrinoid ligand supports the formation of 2 : 1 metal-to-ligand complexes with Pd, Co, and Zn. Solid-state studies also revealed formation of a 6 : 3 metal-to-ligand metallocage in the case of Co complexation.
Aluminium vanadate with unsaturated coordinated V centers and oxygen vacancies: surface migration and partial phase transformation mechanism in high performance zinc-ion batteries
Authors: Liu Yang , Xiao Xiao , Liu Xing , Cui Lei Lei , Gong Yun
Published: December 2021

Aluminium vanadate with unsaturated coordinated V centers and oxygen vacancies shows excellent Zn2+ storage due to the low Zn2+ migration barrier along the (001) surface, the co-(de)intercalation mechanism of H+/Zn2+ and the partial transformation.
Stable twisted conformation aza-BODIPY NIR-II fluorescent nanoparticles with ultra-large Stokes shift for imaging-guided phototherapy
Authors: Tian Youliang , Zhou Huiting , Cheng Quan , Dang Huiping , Qian Hongyun , Teng Changchang , Xie Kai , Yan Lifeng
Published: December 2021

A stable aza-BODIPY photosensitizer with NIR-II emission has been synthesized, and the amphiphilic polypeptide encapsulated nanoparticles showed efficient NIR-II imaging-guided photothermal therapy for cancer.
Targeting extracellular lectins of Pseudomonas aeruginosa with glycomimetic liposomes
Authors: Metelkina Olga , Huck Benedikt , O'Connor Jonathan S. , Koch Marcus , Manz Andreas , Lehr Claus-Michael , Titz Alexander
Published: December 2021

Glyco-functionalized liposomes inhibiting two Pseudomonas aeruginosa lectins LecA and LecB using multivalent interactions. The impact of the ligand density of the surface was studied by the specially designed in vitro microfluidic model.