bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of myocardial viscoelasticity with Brillouin spectroscopy in myocardial infarction and aortic stenosis models
Authors: Villalba-Orero María , Jiménez-Riobóo Rafael J. , Gontán Nuria , Sanderson Daniel , López-Olañeta Marina , García-Pavía Pablo , Desco Manuel , Lara-Pezzi Enrique , Gómez-Gaviro Maria Victoria
Published: November 2021

Heart diseases are associated with changes in the biomechanical properties of the myocardial wall. However, there is no modality available to assess myocardial stiffness directly. Brillouin microspectroscopy (mBS) is a consolidated mechanical characterization technique, applied to the study of the viscoelastic and elastic behavior of biological samples and may be a valuable tool for assessing the viscoelastic properties of the cardiac tissue. In this work, viscosity and elasticity were assessed using mBS in heart samples obtained from healthy and unhealthy mice (n = 6 per group). Speckle-tracking echocardiography (STE) was performed to evaluate heart deformation. We found that mBS was able to detect changes in stiffness in the ventricles in healthy myocardium. The right ventricle showed reduced stiffness, in agreement with its increased compliance. mBS measurements correlated strongly with STE data, highlighting the association between displacement and stiffness in myocardial regions. This correlation was lost in pathological conditions studied. The scar region in the infarcted heart presented changes in stiffness when compared to the rest of the heart, and the hypertrophied left ventricle showed increased stiffness following aortic stenosis, compared to the right ventricle. We demonstrate that mBS can be applied to determine myocardial stiffness, that measurements correlate with functional parameters and that they change with disease.
Ni2P nanocrystals embedded Ni-MOF nanosheets supported on nickel foam as bifunctional electrocatalyst for urea electrolysis
Authors: Wang Haitao , Zou Haiyan , Liu Yingying , Liu Zhenglong , Sun Wenshuang , Lin Kunyi Andrew , Li Tielong , Luo Shuangjiang
Published: November 2021

It’s highly desired but challenging to synthesize self-supporting nanohybrid made of conductive nanoparticles with metal organic framework (MOF) materials for the application in the electrochemical field. In this work, we report the preparation of Ni2P embedded Ni-MOF nanosheets supported on nickel foam through partial phosphidation (Ni2P@Ni-MOF/NF). The self-supporting Ni2P@Ni-MOF/NF was directly tested as electrode for urea electrolysis. When served as anode for urea oxidation reaction (UOR), it only demands 1.41 V (vs RHE) to deliver a current of 100 mA cm−2. And the overpotential of Ni2P@Ni-MOF/NF to reach 10 mA cm−2 for hydrogen evolution reaction HER was only 66 mV, remarkably lower than Ni2P/NF (133 mV). The exceptional electrochemical performance was attributed to the unique structure of Ni2P@Ni-MOF and the well exposed surface of Ni2P. Furthermore, the Ni2P@Ni-MOF/NF demonstrated outstanding longevity for both HER and UOR. The electrolyzer constructed with Ni2P@Ni-MOF/NF as bifunctional electrode can attain a current density of 100 mA cm−2 at a cell voltage as low as 1.65 V. Our work provides new insights for prepare MOF based nanohydrid for electrochemical application.
Identification of bread wheat genotypes with superior grain yield and agronomic traits through evaluation under rust epiphytotic conditions in Kenya
Authors: Msundi Elizabeth Akinyi , Owuoche James Otieno , Oyoo Maurice Edwards , Macharia Godwin , Singh Ravi Prakash , Randhawa Mandeep Singh
Published: November 2021

Bread wheat (Triticum aestivumL.) cultivars adapted to specific environments and resistant to prevalent pathogens are preferred for obtaining high yield. This study aimed to identify wheat genotypes with superior grain yield (GY) and yield associated traits from 168 genotypes of International Maize and Wheat Improvement Center’s 13th Stem Rust Resistance Screening Nursery evaluated over two seasons during 2019 and 2020 under high disease pressure of both stem rust (SR) and yellow rust (YR) in a 21 × 8α-lattice design with 3 replications in Kenya. Effects due to seasons were significant for YRAud, SRAud, 1000-kernel weight (TKW), days to heading (DH), plant height (PH) and number of spikelets spike−1(SS), while genotypes and genotypes × season interaction effects were significant for all traits except number of kernels spike−1. Respectively, heritability values of 0.95, 0.93, 0.87, 0.86, 0.77 and 0.75 were observed for area under disease progress curve for SR (SRAud), YR (YRAud), TKW, DH, biomass (BM) and GY. Path analysis showed positive direct effects on GY via PH, SS, BM, and TKW. Biplot analysis identified 16 genotypes with superior desirable traits GY, BM and harvest index. The SR contributed the highest reduction in GY and TKW while YR contributed the most reduction in BM. These identified genotypes with superior GY combined with adequate resistance to both SR and YR are potentially valuable resources for improvement of locally adapted wheat cultivars.
Intramuscular fat in gluteus maximus for different levels of physical activity
Authors: Belzunce Martin A. , Henckel Johann , Di Laura Anna , Hart Alister
Published: November 2021

We aimed to determine if gluteus maximus (GMAX) fat infiltration is associated with different levels of physical activity. Identifying and quantifying differences in the intramuscular fat content of GMAX in subjects with different levels of physical activity can provide a new tool to evaluate hip muscles health. This was a cross-sectional study involving seventy subjects that underwent Dixon MRI of the pelvis. The individuals were divided into four groups by levels of physical activity, from low to high: inactive patients due to hip pain; and low, medium and high physical activity groups of healthy subjects (HS) based on hours of exercise per week. We estimated the GMAX intramuscular fat content for each subject using automated measurements of fat fraction (FF) from Dixon images. The GMAX volume and lean volume were also measured and normalized by lean body mass. The effects of body mass index (BMI) and age were included in the statistical analysis. The patient group had a significantly higher FF than the three groups of HS (median values of 26.2%, 17.8%, 16.7% and 13.7% respectively, p < 0.001). The normalized lean volume was significantly larger in the high activity group compared to all the other groups (p < 0.001, p = 0.002 and p = 0.02). Employing a hierarchical linear regression analysis, we found that hip pain, low physical activity, female gender and high BMI were statistically significant predictors of increased GMAX fat infiltration.
Increased risk of stroke in patients with diffuse idiopathic skeletal hyperostosis: a nationwide population-based cohort study
Authors: Cheng Yuan-Yang , Lin Ching-Heng , Tsai Po-Yi , Chen Yi-Huei , Lin Shih-Yi , Chang Shin-Tsu
Published: November 2021

Diffuse idiopathic skeletal hyperostosis (DISH) is frequently an incidental finding during X-ray examination. Although it has been shown to be associated with several chronic diseases, the hazard of cerebrovascular disease has seldom been explored. Our study aimed at determining the risk of stroke conferred by DISH, which is a retrospective cohort study adopting the largest medical database in Taiwan. Patients with a diagnosis of DISH at least three times from 2005 to 2010 were identified as the study group, and those in the control group were selected by matching age and gender. Patients were followed up until the end of 2015 to trace the incidence of stroke. Cox regression analysis was performed to compute the hazard ratio of stroke. Among the included 5300 patients, 1060 had a diagnosis of DISH. Significantly higher prevalence rates of stroke, hypertension, diabetes, and hyperlipidemia were noted in these patients. Overall, DISH conferred a 1.68 times higher risk of developing stroke. The significantly higher hazard ratio could be identified in both genders whether hypertension existed or not. Even in those without comorbidities, DISH still conferred a significantly higher risk of cerebrovascular disease in the future, which should never be ignored when encountered during clinical practice.
A novel wastewater-based epidemiology indexing method predicts SARS-CoV-2 disease prevalence across treatment facilities in metropolitan and regional populations
Authors: Melvin Richard G. , Hendrickson Emily N. , Chaudhry Nabiha , Georgewill Onimitein , Freese Rebecca , Schacker Timothy W. , Simmons Glenn E.
Published: November 2021

There is a need for wastewater based epidemiological (WBE) methods that integrate multiple, variously sized surveillance sites across geographic areas. We developed a novel indexing method, Melvin’s Index, that provides a normalized and standardized metric of wastewater pathogen load for qPCR assays that is resilient to surveillance site variation. To demonstrate the utility of Melvin’s Index, we used qRT-PCR to measure SARS-CoV-2 genomic RNA levels in influent wastewater from 19 municipal wastewater treatment facilities (WWTF’s) of varying sizes and served populations across the state of Minnesota during the Summer of 2020. SARS-CoV-2 RNA was detected at each WWTF during the 20-week sampling period at a mean concentration of 8.5 × 104 genome copies/L (range 3.2 × 102–1.2 × 109 genome copies/L). Lag analysis of trends in Melvin’s Index values and clinical COVID-19 cases showed that increases in indexed wastewater SARS-CoV-2 levels precede new clinical cases by 15–17 days at the statewide level and by up to 25 days at the regional/county level. Melvin’s Index is a reliable WBE method and can be applied to both WWTFs that serve a wide range of population sizes and to large regions that are served by multiple WWTFs.
Increased VLCFA-lipids and ELOVL4 underlie neurodegeneration in frontotemporal dementia
Authors: He Ying , Phan Katherine , Bhatia Surabhi , Pickford Russell , Fu YuHong , Yang Yue , Hodges John R. , Piguet Olivier , Halliday Glenda M. , Kim Woojin Scott
Published: November 2021

Rare, yet biologically critical, lipids that contain very long chain fatty acids (VLCFA-lipids) are synthesized in the brain by the enzyme ELOVL4. High levels of VLCFA-lipids are toxic to cells and excess VLCFA-lipids are actively removed by ABCD1 in an ATP-dependent manner. Virtually nothing is known about the impact of VLCFA-lipids in neurodegenerative diseases. Here, we investigated the possible role of VLCFA-lipids in frontotemporal dementia (FTD), which is a leading cause of younger-onset dementia. Using quantitative discovery lipidomics, we identified three VLCFA-lipid species that were significantly increased in FTD brain compared to controls, with strong correlations with ELOVL4. Increases in ELOVL4 expression correlated with significant decreases in the membrane-bound synaptophysin in FTD brain. Furthermore, increases in ABCD1 expression correlated with increases in VLCFA-lipids. We uncovered a new pathomechanism that is pertinent to understanding the pathogenesis of FTD.
Pip shape echoes grapevine domestication history
Authors: Bonhomme Vincent , Ivorra Sarah , Lacombe Thierry , Evin Allowen , Figueiral Isabel , Maghradze David , Marchal Cécile , Pagnoux Clémence , Pastor Thierry , Pomarèdes Hervé , Bacilieri Roberto , Terral Jean-Frédéric , Bouby Laurent
Published: November 2021

The pip, as the most common grapevine archaeological remain, is extensively used to document past viticulture dynamics. This paper uses state of the art morphological analyses to analyse the largest reference collection of modern pips to date, representative of the present-day diversity of the domesticated grapevine from Western Eurasia. We tested for a costructure between the form of the modern pips and the: destination use (table/wine), geographical origins, and populational labels obtained through two molecular approaches. Significant structuring is demonstrated for each of these cofactors and for the first time it is possible to infer properties of varieties without going through the parallel with modern varieties. These results provide a unique tool that can be applied to archaeological pips in order to reconstruct the spatio-temporal dynamics of grape diversity on a large scale and to better understand viticulture history. The models obtained were then used to infer the affiliations with archaeobotanical remains recovered in Mas de Vignoles XIV (Nîmes, France). The results show a twofold shift between the Late Iron Age and the Middle Ages, from table to wine grape varieties and from eastern to western origins which correlates with previous palaeogenomic results.
Genetic and physical interactions between Polη and Rev1 in response to UV-induced DNA damage in mammalian cells
Authors: Bi Tonghui , Niu Xiaohong , Qin Chunping , Xiao Wei
Published: November 2021

In response to UV irradiation, translesion DNA synthesis (TLS) utilizes specialized DNA polymerases to bypass replication-blocking lesions. In a well-established polymerase switch model, Polη is thought to be a preferred TLS polymerase to insert correct nucleotides across from the thymine dimer, and Rev1 plays a scaffold role through physical interaction with Polη and the Rev7 subunit of Polζ for continual DNA synthesis. Defective Polη causes a variant form of xeroderma pigmentosum (XPV), a disease with predisposition to sunlight-induced skin cancer. Previous studies revealed that expression of Rev1 alone is sufficient to confer enhanced UV damage tolerance in mammalian cells, which depends on its physical interaction with Polζ but is independent of Polη, a conclusion that appears to contradict current literature on the critical roles of Polη in TLS. To test a hypothesis that the Rev1 catalytic activity is required to backup Polη in TLS, we found that the Rev1 polymerase-dead mutation is synergistic with either Polη mutation or the Polη-interaction mutation in response to UV-induced DNA damage. On the other hand, functional complementation of polH cells by Polη relies on its physical interaction with Rev1. Hence, our studies reveal critical interactions between Rev1 and Polη in response to UV damage.
Within patient genetic diversity of blaKPC harboring Klebsiella pneumoniae in a Colombian hospital and identification of a new NTEKPC platform
Authors: Abril Deisy , Vergara Erika , Palacios Diana , Leal Aura Lucía , Marquez-Ortiz Ricaurte Alejandro , Madroñero Johana , Corredor Rozo Zayda Lorena , De La Rosa Zandra , Nieto Carlos A. , Vanegas Natasha , Cortés Jorge A. , Escobar-Perez Javier
Published: November 2021

Resistance to carbapenems in Klebsiellapneumoniae has been mostly related with the worldwide dissemination of KPC, largely due to the pandemic clones belonging to the complex clonal (CC) 258. To unravel blaKPC post-endemic clinical impact, here we describe clinical characteristics of 68 patients from a high complexity hospital, and the molecular and genetic characteristics of their 139 blaKPC—K.pneumoniae (KPC-Kp) isolates. Of the 26 patients that presented relapses or reinfections, 16 had changes in the resistance profiles of the isolates recovered from the recurrent episodes. In respect to the genetic diversity of KPC-Kp isolates, PFGE revealed 45 different clonal complexes (CC). MLST for 12 representative clones showed ST258 was present in the most frequent CC (23.0%), however, remaining 11 representative clones belonged to non-CC258 STs (77.0%). Interestingly, 16 patients presented within-patient genetic diversity of KPC-Kp clones. In one of these, three unrelated KPC-Kp clones (ST258, ST504, and ST846) and a blaKPC—K.variicola isolate (ST182) were identified. For this patient, complete genome sequence of one representative isolate of each clone was determined. In K.pneumoniae isolates blaKPC was mobilized by two Tn3-like unrelated platforms: Tn4401b (ST258) and Tn6454 (ST504 and ST846), a new NTEKPC-IIe transposon for first time characterized also determined in the K.variicola isolate of this study. Genome analysis showed these transposons were harbored in different unrelated but previously reported plasmids and in the chromosome of a K.pneumoniae (for Tn4401b). In conclusion, in the blaKPC post-endemic dissemination in Colombia, different KPC-Kp clones (mostly non-CC258) have emerged due to integration of the single blaKPC gene in new genetic platforms. This work also shows the intra-patient resistant and genetic diversity of KPC-Kp isolates. This circulation dynamic could impact the effectiveness of long-term treatments.
CYP3A-status is associated with blood concentration and dose-requirement of tacrolimus in heart transplant recipients
Authors: Déri Máté , Szakál-Tóth Zsófia , Fekete Ferenc , Mangó Katalin , Incze Evelyn , Minus Annamária , Merkely Béla , Sax Balázs , Monostory Katalin
Published: November 2021

High inter-individual variability in tacrolimus clearance is attributed to genetic polymorphisms of CYP3A enzymes. However, due to CYP3A phenoconversion induced by non-genetic factors, continuous changes in tacrolimus-metabolizing capacity entail frequent dose-refinement for optimal immunosuppression. In heart transplant recipients, the contribution of patients’ CYP3A-status (CYP3A5 genotype and CYP3A4 expression) to tacrolimus blood concentration and dose-requirement was evaluated in the early and late post-operative period. In low CYP3A4 expressers carrying CYP3A5*3/*3, the dose-corrected tacrolimus level was significantly higher than in normal CYP3A4 expressers or in those with CYP3A5*1. Modification of the initial tacrolimus dose was required for all patients: dose reduction by 20% for low CYP3A4 expressers, a 40% increase for normal expressers and a 2.4-fold increase for CYP3A5*1 carriers. The perioperative high-dose corticosteroid therapy was assumed to ameliorate the low initial tacrolimus-metabolizing capacity during the first month. The fluctuation of CYP3A4 expression and tacrolimus blood concentration (C0/D) was found to be associated with tapering and cessation of corticosteroid in CYP3A5 non-expressers, but not in those carrying CYP3A5*1. Although monitoring of tacrolimus blood concentration cannot be omitted, assaying recipients’ CYP3A-status can guide optimization of the initial tacrolimus dose, and can facilitate personalized tacrolimus therapy during steroid withdrawal in the late post-operative period.
Estimating the COVID-19 prevalence and mortality using a novel data-driven hybrid model based on ensemble empirical mode decomposition
Authors: Wang Yongbin , Xu Chunjie , Yao Sanqiao , Wang Lei , Zhao Yingzheng , Ren Jingchao , Li Yuchun
Published: November 2021

In this study, we proposed a new data-driven hybrid technique by integrating an ensemble empirical mode decomposition (EEMD), an autoregressive integrated moving average (ARIMA), with a nonlinear autoregressive artificial neural network (NARANN), called the EEMD-ARIMA-NARANN model, to perform time series modeling and forecasting based on the COVID-19 prevalence and mortality data from 28 February 2020 to 27 June 2020 in South Africa and Nigeria. By comparing the accuracy level of forecasting measurements with the basic ARIMA and NARANN models, it was shown that this novel data-driven hybrid model did a better job of capturing the dynamic changing trends of the target data than the others used in this work. Our proposed mixture technique can be deemed as a helpful policy-supportive tool to plan and provide medical supplies effectively. The overall confirmed cases and deaths were estimated to reach around 176,570 [95% uncertainty level (UL) 173,607 to 178,476] and 3454 (95% UL 3384 to 3487), respectively, in South Africa, along with 32,136 (95% UL 31,568 to 32,641) and 788 (95% UL 775 to 804) in Nigeria on 12 July 2020 using this data-driven EEMD-ARIMA-NARANN hybrid technique. The contributions of this study include three aspects. First, the proposed hybrid model can better capture the dynamic dependency characteristics compared with the individual models. Second, this new data-driven hybrid model is constructed in a more reasonable way relative to the traditional mixture model. Third, this proposed model may be generalized to estimate the epidemic patterns of COVID-19 in other regions.
Persistent Plasmodium falciparum infections enhance transmission-reducing immunity development
Authors: Ayanful-Torgby Ruth , Sarpong Esther , Abagna Hamza B. , Donu Dickson , Obboh Evans , Mensah Benedicta A. , Adjah Joshua , Williamson Kim C. , Amoah Linda E.
Published: November 2021

Subclinical infections that serve as reservoir populations to drive transmission remain a hurdle to malaria control. Data on infection dynamics in a geographical area is required to strategically design and implement malaria interventions. In a longitudinal cohort, we monitored Plasmodium falciparum infection prevalence and persistence, and anti-parasite immunity to gametocyte and asexual antigens for 10 weeks. Of the 100 participants, only 11 were never infected, whilst 16 had persistent infections detected by reverse transcriptase-quantitative polymerase chain reaction (RT-qPCR), and one participant had microscopic parasites at all visits. Over 70% of the participants were infected three or more times, and submicroscopic gametocyte prevalence was high, ≥ 48% of the parasite carriers. Naturally induced responses against recombinant Pfs48/45.6C, Pfs230proC, and EBA175RIII–V antigens were not associated with either infection status or gametocyte carriage, but the antigen-specific IgG titers inversely correlated with parasite and gametocyte densities consistent with partial immunity. Longitudinal analysis of gametocyte diversity indicated at least four distinct clones circulated throughout the study period. The high prevalence of children infected with distinct gametocyte clones coupled with marked variation in infection status at the individual level suggests ongoing transmission and should be targeted in malaria control programs.
Prognostic value of galectin-3 and right ventricular function for long-term mortality in heart failure patients treated with cardiac resynchronization therapy
Authors: Zaborska Beata , Pilichowska-Paszkiet Ewa , Makowska Ewa , Sygitowicz Grażyna , Słomski Tomasz , Zaborski Michał , Budaj Andrzej
Published: November 2021

Recently, associations between the biomarker galectin-3 and numerous pathological processes involved in heart failure (HF) and right ventricular (RV) function have been observed. We aimed to assess the long-term prognostic ability of galectin-3 and RV function parameters for all-cause mortality in HF patients treated with cardiac resynchronization therapy (CRT). We prospectively studied 63 symptomatic HF patients with a left ventricular (LV) ejection fraction (EF) ≤ 35%. The median serum galectin-3 concentration was 13.4 ng/mL (IQR 11.05, 17.15). A detailed assessment of LV and RV geometry and function was performed with echocardiography. CRT defibrillator implantation was achieved in all patients without major complications. The follow-up lasted 5 years. In the multivariable Cox regression model, independent predictors for all-cause mortality were log baseline galectin-3 and baseline RV function expressed as tricuspid annular plane systolic excursion with HR 2.96 (p = 0.037) and HR 0.88 (p = 0.023), respectively. Analysis of subgroups defined by galectin-3 concentration and CRT response showed that patients with high baseline galectin-3 concentrations and a lack of response to CRT had a significantly lower probability of survival. In our patient cohort, the baseline galectin-3 concentration and RV function were independent predictors of long-term all-cause mortality in HFrEF patients following CRT implantation.
Identifying spatio-temporal seizure propagation patterns in epilepsy using Bayesian inference
Authors: Vattikonda Anirudh N. , Hashemi Meysam , Sip Viktor , Woodman Marmaduke M. , Bartolomei Fabrice , Jirsa Viktor K.
Published: November 2021

Focal drug resistant epilepsy is a neurological disorder characterized by seizures caused by abnormal activity originating in one or more regions together called as epileptogenic zone. Treatment for such patients involves surgical resection of affected regions. Epileptogenic zone is typically identified using stereotactic EEG recordings from the electrodes implanted into the patient’s brain. Identifying the epileptogenic zone is a challenging problem due to the spatial sparsity of electrode implantation. We propose a probabilistic hierarchical model of seizure propagation patterns, based on a phenomenological model of seizure dynamics called Epileptor. Using Bayesian inference, the Epileptor model is optimized to build patient specific virtual models that best fit to the log power of intracranial recordings. First, accuracy of the model predictions and identifiability of the model are investigated using synthetic data. Then, model predictions are evaluated against a retrospective patient cohort of 25 patients with varying surgical outcomes. In the patients who are seizure free after surgery, model predictions showed good match with the clinical hypothesis. In patients where surgery failed to achieve seizure freedom model predictions showed a strong mismatch. Our results demonstrate that proposed probabilistic model could be a valuable tool to aid the clinicians in identifying the seizure focus.
Comprehensive functional core microbiome comparison in genetically obese and lean hosts under the same environment
Authors: Martínez-Álvaro Marina , Zubiri-Gaitán Agostina , Hernández Pilar , Greenacre Michael , Ferrer Alberto , Blasco Agustín
Published: November 2021

Our study provides an exhaustive comparison of the microbiome core functionalities (captured by 3,936 microbial gene abundances) between hosts with divergent genotypes for intramuscular lipid deposition. After 10 generations of divergent selection for intramuscular fat in rabbits and 4.14 phenotypic standard deviations (SD) of selection response, we applied a combination of compositional and multivariate statistical techniques to identify 122 cecum microbial genes with differential abundances between the lines (ranging from −0.75 to +0.73 SD). This work elucidates that microbial biosynthesis lipopolysaccharides, peptidoglycans, lipoproteins, mucin components, and NADH reductases, amongst others, are influenced by the host genetic determination for lipid accretion in muscle. We also differentiated between host-genetically influenced microbial mechanisms regulating lipid deposition in body or intramuscular reservoirs, with only 28 out of 122 MGs commonly contributing to both. Importantly, the results of this study are of relevant interest for the efficient development of strategies fighting obesity.
Modular amphiphilic poly(aryl ether)-based supramolecular nanomicelles: an efficient endocytic drug carrier
Authors: Kannan Ramya , Datta Ayan , Prabakaran Palani , Prasad Edamana , Muthuvijayan Vignesh
Published: November 2021

A rationally designed amphiphilic poly(aryl ether)-based dendrimer self-assembles into nanomicelles and exhibits tunable morphology upon varying the hydrophilic chain length.
Two scandium-based coordination polymers: rapid ultrasound-assisted synthesis, crystal transformation, and catalytic properties
Authors: Liu Rui , Jiang Yansong , Gong Yiran , Fu Yu , Shen Jieyu , Wang Li , Fan Yong , Guo Yupeng , Xu Jianing
Published: November 2021

Assisted by ultrasound waves, a Sc-based coordination polymer CP 1 was synthesized successfully. With 1 as the precursor, another stable CP 2 can be obtained by single-crystal to single-crystal transformation and 2 exhibited good catalytic activities.
Kinetics of IO radicals with ethyl formate and ethyl acetate: a study using cavity ring-down spectroscopy and theoretical methods
Authors: Mondal Koushik , Kumar Avinash , Rajakumar B.
Published: November 2021

The gas-phase kinetics of the reactions of IO radicals with ethyl formate (EF) and ethyl acetate (EA) were investigated experimentally using cavity ring-down spectroscopy (CRDS).
Path-dependency of energy decomposition analysis & the elusive nature of bonding
Authors: Poater Jordi , Andrada Diego M. , Solà Miquel , Foroutan-Nejad Cina
Published: November 2021

Here, we provide evidence of the path-dependency of the energy components of the energy decomposition analysis scheme, EDA, by studying a set of thirty-one closed-shell model systems with the D2h symmetry point group.
Direct Z-scheme hierarchical heterostructures of oxygen-doped g-C3N4/In2S3 with efficient photocatalytic Cr(vi) reduction activity
Authors: Liu Anyu , Hu Jianqiang , He Jiale , Huang Xinyue , Hu Na , Li Yuqin , Huang Qingling , Guo Shien , Liu Xin , Yang Zhen , Zhou Yong , Zou Zhigang
Published: November 2021

Direct Z-scheme hierarchical heterostructures of O-doped g-C3N4/In2S3 were simply prepared, exhibiting efficient photocatalytic Cr(vi) reduction under visible light illumination.
Harnessing the power of machine learning for carbon capture, utilisation, and storage (CCUS) – a state-of-the-art review
Authors: Yan Yongliang , Borhani Tohid N. , Subraveti Sai Gokul , Pai Kasturi Nagesh , Prasad Vinay , Rajendran Arvind , Nkulikiyinka Paula , Asibor Jude Odianosen , Zhang Zhien , Shao Ding , Wang Lijuan , Zhang Wenbiao , Yan Yong , Ampomah William , You Junyu , Wang Meihong , Anthony Edward J. , Manovic Vasilije , Clough Peter T.
Published: November 2021

A review of the state-of-the-art applications of machine learning for CO2 capture, transport, storage, and utilisation.
Catalysts derived from Earth-abundant natural biomass enable efficient photocatalytic CO2conversion for achieving a closed-loop carbon cycle
Authors: Huang Qi-Su , Wei Wei , Ni Bing-Jie
Published: November 2021

A one-pot, facile, sulfuric-acid-assisted carbonization method was developed to fabricate a series of biomass-derived metal-free carbonaceous photocatalysts for high performance CO2conversion, which satisfied a closed-loop carbon cycle.
Screening for cerebral amyloid angiopathy based on serological biomarkers analysis using a dielectrophoretic force-driven biosensor platform
Authors: Kim Hye Jin , Park Dongsung , Yun Gyihyaon , Kim Hongrae , Kim Hyug-Gi , Lee Kyung Mi , Hong Il Ki , Park Key-Chung , Lee Jin San , Hwang Kyo Seon
Published: November 2021

Screening of cerebral amyloid angiopathy and Alzheimer's disease by analyzing plasma amyloid-β using a highly sensitive dielectrophoretic force-driven biosensor platform.
Mechanistic insights on CO2 utilization using sustainable catalysis
Authors: Qaroush Abdussalam K. , Hasan Areej K. , Hammad Suhad B. , Al-Qaisi Feda’a M. , Assaf Khaleel I. , Alsoubani Fatima , Eftaiha Ala’a F.
Published: November 2021

Caffeinium halides were used to catalyse the cycloaddition of CO2 to form cyclic carbonates. The reaction intermediates were isolated and characterized experimentally. The reaction mechanism has been confirmed by DFT calculations.
A fluorescent triboelectric nanogenerator manufactured with a flexible janus nanobelt array concurrently acting as a charge-generating layer and charge-trapping layer
Authors: Xie Yunrui , Ma Qianli , Qi Haina , Liu Xiaona , Chen Xingyu , Jin Ying , Li Dan , Yu Wensheng , Dong Xiangting
Published: November 2021

A Janus nanobelts array is used as both a charge-generating layer and charge-trapping layer to assemble a fluorescent TENG.
Porous polycaprolactone and polycarbonate poly(urethane urea)s via emulsion templating: structures, properties, cell growth
Authors: Kapilov-Buchman Katya , Bialystocki Tslil , Niezni Danna , Perry Luba , Levenberg Shulamit , Silverstein Michael S.
Published: November 2021

Macroporous, emulsion-templated, linear poly(urethane urea) elastomers were synthesized from polyols (poly(ε-caprolactone)s or polycarbonates) and a diisocyanate. Growing cells adhered to the walls, spread, and penetrated into the porous structures.
Polytriphenylamine composites for energy storage electrodes: effect of pendant vs. backbone polymer architecture of the electroactive group
Authors: Dianatdar Afshin , Akin Okan , Mongatti Irene , Momand Jamo , Ruggeri Giacomo , Picchioni Francesco , Bose Ranjita K.
Published: November 2021

Interaction between (a) CNT-rP-CNT with CNTs sliding next to each other, (b) CNT-cP-CNT with CNTs repulsed via steric hinderance.
Exploiting nanoscale effects enables ultra-low temperature to produce porous silicon
Authors: Yan Maximilian , Patwardhan Siddharth V.
Published: November 2021

We show the first evidence of reduction of silica occurring at temperatures as low as 380 °C to produce porous silicon without sacrificing the porosity and yield, thus paving the way for sustainable manufacturing.
Recent advances of anion regulated NiFe-based electrocatalysts for water oxidation
Authors: Zhai Zhihua , Jia Guixing , Wang Yu , Chen Xiaoting , Zhang Zhonghua
Published: November 2021

The oxygen evolution reaction, an important half-reaction of water splitting, plays a key role in overcoming the future fossil fuel crisis and sustainable development.
Re-entrance to a ferromagnetic insulator with oxygen-vacancy ordering in the La0.7Sr0.3MnO3/SrTiO3 superlattice
Authors: Zhang Bangmin , Wu Lijun , Feng Xin , Wang Dongyang , Chi Xiao , Chai Guozhi , Yang Ping , Ding Jun , Han Jiaguang , Chen Jingsheng , Zhu Yimei , Chow Gan Moog
Published: November 2021

The ordering of oxygen vacancies induces the formation of a ferromagnetic charge-ordering (CO)/charge-density-wave (CDW) phase in La0.7Sr0.3MnO3, and the re-entrance to the ferromagnetic insulator CO/CDW could be induced by a high magnetic field.
Understanding the charge storage mechanism of supercapacitors:in situ/operandospectroscopic approaches and theoretical investigations
Authors: Patra Abhinandan , K. Namsheer , Jose Jeena Rose , Sahoo Surjit , Chakraborty Brahmananda , Rout Chandra Sekhar
Published: November 2021

This review provides insights into the charge storage mechanism of supercapacitors based onin situcharacterization techniques together with theoretical investigations.
Photo-charge regulation of metal-free photocatalyst by carbon dots for efficient and stable hydrogen peroxide production
Authors: Li Yi , Zhao Yu , Wu Jie , Han Yidong , Huang Hui , Liu Yang , Kang Zhenhui
Published: November 2021

The metal-free photocatalyst CN1.8/ICT/CDs by photo-charge regulation of CDs exhibits an excellent and stable H2O2 yield under visible light in air atmosphere without sacrificial agent (2202.81 μmol h−1 g−1).
Single Mo atoms paired with neighbouring Ti atoms catalytically decompose ammonium bisulfate formed in low-temperature SCR
Authors: Chen Junxiao , Fang Xue , Ren Zhouhong , Qu Weiye , Hu Xiaolei , Ma Zhen , Chen Liwei , Liu Xi , Chen Yaxin , Tang Xingfu
Published: November 2021

We developed a TiO2-supported single-atom Mo catalyst (Mo1/TiO2) where single Mo atoms paired with the neighboring surface Ti atoms function as Mo–Ti acid–base dual sites, realizing the decomposition of ABS at ∼225 °C.
Photoactivated materials and sensors for NO2 monitoring
Authors: Šetka Milena , Claros Martha , Chmela Ondřej , Vallejos Stella
Published: November 2021

This review presents the fundamentals of photoactivated gas sensing, materials, and enabling technologies for sensing ppb concentrations of NO2. Literature photoactivated gas sensors show competitive detection limits and form factors.
Polymer-stabilized bistable dual-frequency cholesteric liquid crystal devices assisted by a predesigned chiral dopant
Authors: Liu Chun-Yen , Yen Chi-Feng , Hung Yi-Hua , Tu Chia-Min , Wu Guan-Yi , Chen Hung-Yi
Published: November 2021

Fabricated polymer-stabilized bistable cholesteric liquid crystal devices show a stable opaque focal conic state and a stable transparent planar state without any energy consumption once they are turned.
Samarium and manganese incorporation to improve color rendering of LuAG:Ce3+ phosphor ceramics for laser-driven lighting: a Color-tunable and energy transfer study
Authors: Sun Bingheng , Jiang Benxue , Zhang Long
Published: November 2021

A multi-channel energy transfer scheme was established in LuAG:Ce3+,Sm3+,Mn2+ phosphor ceramics to obtain a high color rendering index of white LDs.
KMT2D deficiency disturbs the proliferation and cell cycle activity of dental epithelial cell line (LS8) partially via Wnt signaling
Authors: Pang Liping , Tian Hua , Gao Xuejun , Wang Weiping , Wang Xiaoyan , Zhang Zhichun
Published: November 2021

Lysine methyltransferase 2D (KMT2D), as one of the key histone methyltransferases responsible for histone 3 lysine 4 methylation (H3K4me), has been proved to be the main pathogenic gene of Kabuki syndrome disease. Kabuki patients with KMT2D mutation frequently present various dental abnormalities, including abnormal tooth number and crown morphology. However, the exact function of KMT2D in tooth development remains unclear. In this report, we systematically elucidate the expression pattern of KMT2D in early tooth development and outline the molecular mechanism of KMT2D in dental epithelial cell line. KMT2D and H3K4me mainly expressed in enamel organ and Kmt2d knockdown led to the reduction in cell proliferation activity and cell cycling activity in dental epithelial cell line (LS8). RNA-sequencing (RNA-seq) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis screened out several important pathways affected by Kmt2d knockdown including Wnt signaling. Consistently, Top/Fop assay confirmed the reduction in Wnt signaling activity in Kmt2d knockdown cells. Nuclear translocation of β-catenin was significantly reduced by Kmt2d knockdown, while lithium chloride (LiCl) partially reversed this phenomenon. Moreover, LiCl partially reversed the decrease in cell proliferation activity and G1 arrest, and the down-regulation of Wnt-related genes in Kmt2d knockdown cells. In summary, the present study uncovered a pivotal role of histone methyltransferase KMT2D in dental epithelium proliferation and cell cycle homeostasis partially through regulating Wnt/β-catenin signaling. The findings are important for understanding the role of KMT2D and histone methylation in tooth development.
Stable feature selection based on brain storm optimisation for high‐dimensional data
Authors: Li Mengmeng , Liu Yi , Zheng Qibin , Qin Wei , Ren Xiaoguang
Published: November 2021

Feature selection is a widely used data pre‐processing method. However, the research on feature selection stability is very rare. Although there are some related studies that mainly focus on filters rather than wrappers, especially wrappers based on evolutionary algorithms. In this paper, a stable feature selection method called stable brain storm optimisation (SBSO) is proposed. It puts forward a new population initialisation strategy, which treats stable feature selection results as guide information for initialisation and utilises such chaos to initialise population. SBSO also sets up an information archive to store the historical optimal individuals dynamically. A large number of experiments show that SBSO gives excellent classification performance when compared with other methods, and superior feature selection stability when compared with other wrappers.
Chaos in self-gravitating many-body systems
Authors: Portegies Zwart S. F. , Boekholt T. C. N. , Por E. H. , Hamers A. S. , McMillan S. L. W.
Published: November 2021

In self-gravitatingN-body systems, small perturbations introduced at the start, or infinitesimal errors that are produced by the numerical integrator or are due to limited precision in the computer, grow exponentially with time. For Newton’s gravity, we confirm earlier results that for relatively homogeneous systems, this rate of growth per crossing time increases withNup toN ∼ 30, but that for larger systems, the growth rate has a weaker scaling withN. For concentrated systems, however, the rate of exponential growth continues to scale withN. In relativistic self-gravitating systems, the rate of growth is almost independent ofN. This effect, however, is only noticeable when the system’s mean velocity approaches the speed of light to within three orders of magnitude. The chaotic behavior of systems with more than a dozen bodies for the usually adopted approximation of only solving the pairwise interactions in the Einstein-Infeld-Hoffmann equation of motion is qualitatively different than when the interaction terms (or cross terms) are taken into account. This result provides a strong motivation for follow-up studies on the microscopic effect of general relativity on orbital chaos, and on the influence of higher-order cross-terms in the Taylor-series expansion of the Einstein-Infeld-Hoffmann equations of motion.
Staged Z-pinch modeling of high and low atomic number liners compressing deuterium targets using parameters of the Z pulsed power facility
Authors: Ruskov E. , Ney P. , Rahman H. U.
Published: November 2021

The staged Z-pinch is a potentially transformative magneto-inertial fusion energy concept where a high atomic number liner implodes on a deuterium or deuterium-tritium target using multi-MA pulsed current. Over the past several years, this concept was studied experimentally on 1 MA facilities with argon or krypton gas puffs compressing a magnetized deuterium target. Consistent thermonuclear neutron yield of 1010 per shot was measured with krypton liners. In this paper, we investigate the fusion performance of deuterium targets of varying density undergoing compression with low (beryllium) and high atomic number liners (silver, tantalum) using parameters of the Z pulsed power facility. Silver and tantalum liners create strong shocks that preheat the target plasma above 100 eV and pile up liner material at the liner-target interface. The increased mass density at the interface creates strong ram pressure just before the pinch stagnation time. The target plasma is heated to 2–4 keV, in contrast to the < 0.5 kV temperature calculated for the beryllium case. The high atomic number liners produce neutron yield orders of magnitude higher than the yield from the low atomic number liner.
Algorithms for accurate spectrum measurement of high-resolution analog-to-digital converter with non-coherent sampling
Authors: Ma Min , Zeng Yuqin , Du Mingrui , Zhu Ming
Published: November 2021

In Analog-to-Digital Converter (ADC) spectrum measurement, the realization of coherent sampling is difficult to implement, which has always been one of the bottlenecks. When coherent sampling is not available, researchers have been looking for some precise methods to test high-resolution ADCs under non-coherent sampling conditions. This study introduces two algorithms to, respectively, resolve harmonic distortion and ADC amplitude clipping problems with non-coherent sampling based on the idea of replacement. In algorithm 1, in order to accurately depict a signal spectrogram with harmonics under non-coherent sampling, signal fundamental and harmonics are basically estimated twice, a rough estimate and a fine estimate to get accurate values, and then they are replaced by a coherent sampling spectrum. In algorithm 2, we first determine the sampling period, then propose a three-parameter approach to calculate parameters of clipped signal, analyze and correct the parameter error, and finally apply the corresponding idea signal to replace the clipped signal. This paper proves the two algorithms’ superiority through a lot of simulation results, such as 12-bit, 14-bit, and 16-bit ADC tests. Finally, we process the experiment on the ADC chip automatic test system to obtain 16-bit AD9268 spectrum data and verify the effectiveness of the two algorithms. The two algorithms correct the spectrum error caused by non-coherent sampling and clipping, ideally suitable for high-resolution ADCs.
Critical effective radius for holes in thin films: Energetic and dynamic considerations
Authors: Zigelman Anna , Novick-Cohen Amy
Published: November 2021

Questions regarding the stability of holes and arrays of holes in solid thin films have attracted much attention over the past few decades since an absence of holes is necessary for certain devices to operate properly and a presence of holes is needed in various industrial applications. Here, we study the energetic and dynamic stability of a single axisymmetric grain with a hole at its center, under the assumption that the exterior surface evolves by surface diffusion. Our energetic considerations enable us to formulate a criterion in terms of a critical effective hole radius, which distinguishes between energetically stable and unstable steady state hole configurations and which, somewhat surprisingly, is independent of the contact angle at the substrate and should be readily measurable in experiments. The set of steady states for the system is characterized in terms of admissible nodoidal surfaces, whose dynamic stability is studied via numerical simulation of the full non-linear dynamic problem for zero-volume perturbations. Our dynamic stability study confirms and extends our conclusions based on energetic considerations. Our results, moreover, confirm and extend the classical results of Srolovitz and Safran [J. Appl. Phys. 60, 247–254 (1986); J. Appl. Phys. 60, 255–260 (1986)] and Wong et al. [J. Appl. Phys. 81, 6091–6099 (1997); Acta Mater. 45, 2477–2484 (1997)]. Furthermore, our studies of the steady states and their stability contribute to our understanding of various phenomena observed in experiments: void formation, hillock formation, hole induction and propagation, ligament formation and evolution, blistering prior to film rupture, etc. Importantly, our study shows that in order to relate theory with experiments, careful monitoring of spatial variations in the mean curvature in experiments is required.
Unitary coupled-cluster based self-consistent polarization propagator theory: A quadratic unitary coupled-cluster singles and doubles scheme
Authors: Liu Junzi , Cheng Lan
Published: November 2021

The development of a quadratic unitary coupled-cluster singles and doubles (qUCCSD) based self-consistent polarization propagator method is reported. We present a simple strategy for truncating the commutator expansion of the unitary version of coupled-cluster transformed Hamiltonian H̄. The qUCCSD method for the electronic ground state includes up to double commutators for the amplitude equations and up to cubic commutators for the energy expression. The qUCCSD excited-state eigenvalue equations include up to double commutators for the singles–singles block of H̄, single commutators for the singles–doubles and doubles–singles blocks, and the bare Hamiltonian for the doubles–doubles block. Benchmark qUCCSD calculations of the ground-state properties and excitation energies for representative molecules demonstrate significant improvement of the accuracy and robustness over the previous UCC3 scheme derived using Møller–Plesset perturbation theory.
A digital bandwidth interleaved structure correction method based on itemized correction
Authors: Zhou Yi , Ye Peng , Zhang Qinchuan , Yang Kuojun , Jiang Jun , Huang Wuhuang , Zhao Yu , Zhang Yijiao
Published: November 2021

To satisfy the input bandwidth and sampling rate requirements of data acquisition systems, digital bandwidth-interleaved analog-to-digital converters (DBI-ADCs) offer a practical parallel structure. However, the existing DBI-ADC correction methods are broadly inadequate in terms of design, testing, and implementation. Moreover, the evaluation and correction of the most significant feature of the DBI-ADC structure—wideband acquisition performance—is also imperfect. This paper proposes an itemized correction method for DBI-ADC structures. The proposed method simplifies the complex correction filter bank design algorithm into multiple simple correction filters and then separates and corrects the various errors of the DBI-ADC system. This dramatically simplifies the design, testing, and implementation process of the system, resulting in a highly convenient method for practical engineering. In addition, this method achieves a good correction effect, with an appropriate balance between the correction effect and the project implementation. Simulation results and experimental results verify the effectiveness of the proposed method.