bluuebunny/crossref_metadata_2025 huggingface dataset:
Intravenous iron infusion in patients with heart failure: a systematic review and study‐level meta‐analysis
Authors: Salah Husam M. , Savarese Gianluigi , Rosano Giuseppe M.C. , Ambrosy Andrew P. , Mentz Robert J. , Fudim Marat
Published: February 2023

Aims

There is considerable variability in the effect of intravenous iron on hard cardiovascular (CV)‐related outcomes in patients with heart failure (HF) in randomized controlled trials (RCTs). We use a meta‐analytic approach to analyse data from existing RCTs to derive a more robust estimate of the effect size of intravenous iron infusion on CV‐related outcomes in patients with HF.

Method and results

PubMed/Medline was searched using the following terms: (‘intravenous’ and ‘iron’ and ‘heart failure’) from inception till 6 November 2022 for RCTs comparing intravenous iron infusion with placebo or standard of care in patients with HF and iron deficiency. Outcomes were the composite of CV mortality and first hospitalization for HF; all‐cause mortality; CV mortality; first hospitalization for HF; and total hospitalizations for HF. Random effects risk ratio (RR) with 95% confidence intervals (CIs) were calculated. Ten RCTs with a total of 3438 patients were included. Intravenous iron resulted in a significant reduction in the composite of CV mortality and first hospitalization for HF [RR 0.0.85; 95% CI (0.77, 0.95)], first hospitalization for HF [RR 0.82; 95% CI (0.67, 0.99)], and total hospitalizations for HF [RR 0.74; 95% CI (0.60, 0.91)] but no statistically significant difference in all‐cause mortality [RR 0.95; 95% CI. (0.83, 1.09)] or CV mortality [OR 0.89; 95% CI (0.75, 1.05)].

Conclusions

Intravenous iron infusion in patients with HF reduces the composite risk of first hospitalization for HF and CV mortality as well as the risks of first and recurrent hospitalizations for HF, with no effect on all‐cause mortality or CV mortality alone.
The miR‐124‐3p regulates the allergic airway inflammation and remodeling in an ovalbumin‐asthmatic mouse model by inhibiting S100A4
Authors: Liu Min , Liu Shuang , Li Fajiu , Li Chenghong , Chen Shi , Gao Xiaoyan , Wang Xiaojiang
Published: February 2023

Objective

Asthma is a chronic respiratory disease with an increasing incidence every year. microRNAs (miRNAs) have been demonstrated to have implications for asthma. However, limited information is available regarding the effect of miR‐124‐3p on this disease. Therefore, this study aimed to explore the possible effects of miR‐124‐3p and S100A4 on inflammation and epithelial–mesenchymal transition (EMT) in asthma using mouse models.

Method

Ovalbumin was used to induce asthmatic mouse models. Lung injury in mouse models was assessed, and the bronchoalveolar lavage fluid of mice was collected to determine the number of eosinophilic granulocytes and assess inflammation. The expression levels of miR‐124‐3p, S100A4, E‐cadherin, N‐cadherin, Snail1, vimentin, and TGF‐β1/Smad2 signaling pathway‐related proteins were measured using reverse transcription‐quantitative polymerase chain reaction (RT‐qPCR) and western blot analysis. In vitro experiments, cells were transfected with miR‐124‐3p mimics or inhibitors to test the expression of S100A4 by RT‐qPCR and western blot analysis, and the mutual binding of miR‐124‐3p and S100A4 was validated by dual‐luciferase reporter gene assay.

Results

Overexpression of miR‐124‐3p or inhibition of S100A4 expression attenuated bronchial mucus secretion and collagenous fibers and suppressed inflammatory cell infiltration. Additionally, upon miR‐124‐3p overexpression or S100A4 suppression, eosinophilic granulocytes were decreased, interleukin‐4 (IL‐4) and IL‐13 expression levels were reduced in the bronchoalveolar lavage fluid, serum total IgE level was reduced, and the TGF‐β1/Smad2 signaling pathway was suppressed. Mechanically, a dual‐luciferase reporter gene assay verified the binding relationship between miR‐124‐3p and S100A4.

Conclusion

miR‐124‐3p can negatively target S100A4 to attenuate inflammation in asthmatic mouse models by suppressing the EMT process and the TGF‐β/smad2 signaling pathway.
Characterisation of a smoke/ aerosol exposure in vitro system (SAEIVS) for delivery of complex mixtures directly to cells at the air‐liquid interface
Authors: Wieczorek Roman , Trelles Sticken Edgar , Pour Sarah Jean , Chapman Fiona , Röwer Karin , Otte Sandra , Stevenson Matthew , Simms Liam
Published: February 2023

In vitro testing is important to characterise biological effects of consumer products, including nicotine delivery products such as cigarettes, e‐cigarettes and heated tobacco products. Users' cells are exposed to these products' aerosols, of variant chemical compositions, as they move along the respiratory tract. In vitro exposure systems are available to model such exposures, including delivery of whole aerosols to cells, and at the air‐liquid interface. Whilst there are clear advantages of such systems, factors including time to aerosol delivery, aerosol losses and number of cell cultures that can be exposed at one time could be improved. This study aimed to characterise a custom‐built smoke/ aerosol exposure in vitro system (SAEIVS) using 1R6F reference cigarette smoke. This system contains five parallel smoking chambers and delivers different dilutions of smoke/ aerosol to two separate cell culture exposure chambers in <10 s. Using two dosimetry measures (optical density 400 nm [OD400]; mass spectrometric nicotine quantification), the SAEIVS demonstrated excellent linearity of smoke dilution prior to exposure (R2 = 0.9951 for mass spectrometric quantification; R2 = 0.9965 for OD400) and consistent puff‐wise exposures across 24 and 96 well plates in cell culture relevant formats (e.g., within inserts). Smoke loss was lower than previously reported for other systems (OD400: 16%; nicotine measurement: 20%). There was good correlation of OD400 and nicotine measurements, indicating that OD was a useful surrogate for exposure dosimetry for the product tested. The findings demonstrated that the SAEIVS is a fit‐for‐purpose exposure system for the reproducible dose‐wise exposure assessment of nicotine delivery product aerosols.
CRISPR/Cas9 correction of a dominant cis-double-variant in COL1A1 isolated from a patient with osteogenesis imperfecta increases the osteogenic capacity of induced pluripotent stem cells
Authors: Cao Yixuan , Li Lulu , Ren Xiuzhi , Mao Bin , Yang Yujiao , Mi Huan , Guan Yun , Li Shan , Zhou Siji , Guan Xin , Yang Tao , Zhao Xiuli
Published: February 2023

Osteogenesis imperfecta (OI) is a hereditary skeletal disorder that is mainly caused by variants in COL1A1/2. So far, no specific treatment has been developed to correct its underlying etiology. We aimed to gain a better understanding of the pathological mechanisms of OI and develop gene therapies to correct OI-causing variants. A de novel cis-double-variant c.[175C>T; 187T>A] in COL1A1 was identified from a 5-year-old OI patient by whole-exome sequencing (WES). Three peptide nucleic acids (PNAs) were designed and then transfected patient-derived fibroblasts. PNA2 affected the translational strand and induced an optimal interfering effect at 0.25μM concentration, proved by Sanger sequencing, qPCR, Western blot, and immunostaining. Additionally, induced pluripotent stem cells (iPSCs) were cultured from patient-derived fibroblasts. Clones of iPSCs with c.187T>A variant and those with both variants largely restored their osteogenic capacities after CRISPR/Cas9 gene editing, which corrected the variants. Importantly, correcting c.187T>A variant alone in CRISPR-edited iPSCs was sufficient to alleviate OI phenotypes, as indicated by increased levels of COL1A1, COL1A2, ALP mRNAs, and COL1A1 protein. Our findings suggest that c.187T>A is the dominant variant of cis-double-variant in COL1A1 that led to OI, and PNA interference and CRISPR/Cas9 gene editing may be new therapeutic tools for OI treatment. © 2023 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).
Enhanced conformational exploration of protein loops using a global parameterization of the backbone geometry
Authors: O'Donnell Timothée , Cazals Frédéric
Published: February 2023

Flexible loops are paramount to protein functions, with action modes ranging from localized dynamics contributing to the free energy of the system, to large amplitude conformational changes accounting for the repositioning whole secondary structure elements or protein domains. However, generating diverse and low energy loops remains a difficult problem. This work introduces a novel paradigm to sample loop conformations, in the spirit of the hit‐and‐run (HAR) Markov chain Monte Carlo technique. The algorithm uses a decomposition of the loop into tripeptides, and a novel characterization of necessary conditions for Tripeptide Loop Closure to admit solutions. Denoting m the number of tripeptides, the algorithm works in an angular space of dimension 12 m. In this space, the hyper‐surfaces associated with the aforementioned necessary conditions are used to run a HAR‐like sampling technique. On classical loop cases up to 15 amino acids, our parameter free method compares favorably to previous work, generating more diverse conformational ensembles. We also report experiments on a 30 amino acids long loop, a size not processed in any previous work.
Unraveling multilayered extracellular vesicles: Speculation on cause
Authors: Broad Kelly , Walker Sierra A. , Davidovich Irina , Witwer Kenneth , Talmon Yeshayahu , Wolfram Joy
Published: February 2023

Extracellular vesicles (EVs) are cell‐released, heterogenous nanoparticles that play important roles in (patho)physiological processes through intercellular communication. EVs are often depicted as having a single lipid bilayer, but many studies have demonstrated the existence of multilayered EVs. There has been minimal inquiry into differences between unilamellar and multilamellar EVs in terms of biogenesis mechanisms and functional effects. This commentary speculates on potential causes and roles of multilamellar EVs and serves as a call to action for the research community to unravel the complex layers of EVs.
Features of T1 pancreatic cancer and validation of the eighth edition AJCC staging system definition using a Korean–Japanese joint cohort and the SEER database
Authors: Kwon Wooil , Heo Jin Seok , Han In Woong , Kang Chang Moo , Hwang Ho Kyoung , Kim Song Cheol , Park Sang‐Jae , Yoon Yoo‐Seok , Kim Yong Hoon , Lim Chang‐Sup , Lee Seung Yeoun , Park Taesung , Takami Hideki , Watanabe Nobuyuki , Shimizu Yasuhiro , Okuno Masataka , Yamaue Hiroki , Kawai Manabu , Seiko Hirono , Nagakawa Yuichi , Osakabe Hiroaki , Sugiura Teiichi , Toyama Hirochika , Ohtsuka Masayuki , Unno Michiaki , Endo Itaru , Kitago Minoru , Jang Jin‐Young
Published: February 2023

Background/Purpose

Little is known about the features of T1 pancreatic ductal adenocarcinoma (PDAC) and its definition in the eighth edition of the American Joint Committee on Cancer (AJCC) staging system needs validation. The aims were to analyze the clinicopathologic features of T1 PDAC and investigate the validity of its definition.

Method

Data from 1506 patients with confirmed T1 PDAC between 2000 and 2019 were collected and analyzed. The results were validated using 3092 T1 PDAC patients from the Surveillance, Epidemiology, and End Results (SEER) database.

Results

The median survival duration of patients was 50 months, and the 5‐year survival rate was 45.1%. R0 resection was unachievable in 10.0% of patients, the nodal metastasis rate was 40.0%, and recurrence occurred in 55.2%. The current T1 subcategorization was not feasible for PDAC, tumors with extrapancreatic extension (72.8%) had worse outcomes than those without extrapancreatic extension (median survival 107 vs. 39 months, p < .001). Extrapancreatic extension was an independent prognostic factor whereas the current T1 subcategorization was not. The results of this study were reproducible with data from the SEER database.

Conclusion

Despite its small size, T1 PDAC displayed aggressive behavior warranting active local and systemic treatment. The subcategorization by the eighth edition of the AJCC staging system was not adequate for PDAC, and better subcategorization methods need to be explored. In addition, the role of extrapancreatic extension in the staging system should be reconsidered.
High C‐reactive protein to lymphocyte ratio predicts mortality outcomes of patients with severe fever with thrombocytopenia syndrome: A multicenter study in China
Authors: Qian Fang , Zhou Wei , Liu Yuanni , Ge Ziruo , Lai Jianming , Zhao Zhenghua , Feng Yang , Lin Ling , Shen Yi , Zhang Zhonglu , Zhang Wei , Fan Tianli , Zhao Yongxiang , Chen Zhihai
Published: February 2023

Severe fever with thrombocytopenia syndrome (SFTS) is a life‐threatening infectious disease caused by the SFTS virus (SFTSV). This study aimed to evaluate the predictive power of C‐reactive protein to lymphocyte ratio (CLR) and establish an early‐warning model for SFTS mortality. We retrospectively analyzed hospitalized SFTS patients in six clinical centers from May 2011 to 2022. The efficacy of CLR prediction was evaluated by the receiver operating characteristic (ROC) analysis. A nomogram was established and validated. Eight hundred and eighty‐two SFTS patients (median age 64 years, 48.5% male) were enrolled in this study, with a mortality rate of 17.8%. The area under the ROC curve (AUC) of CLR was 0.878 (95% confidence interval [CI]: 0.850−0.903, p < 0.001), which demonstrates high predictive strength. The least absolute shrinkage and selection operator regression selected seven potential predictors. Multivariate logistic regression analysis determined three independent risk factors, including CLR, to construct the nomogram. The performance of the nomogram displayed excellent discrimination and calibration, with significant net benefits in clinical uses. CLR is a brand‐new predictor for SFTS mortality. The nomogram based on CLR can serve as a convenient tool for physicians to identify critical SFTS cases in clinical practice.
Investigating the effect of ribavirin treatment on genetic mutations in Crimean–Congo haemorrhagic fever virus (CCHFV) through next‐generation sequencing
Authors: D'Addiego Jake , Elaldi Nazif , Wand Nadina , Osman Karen , Bagci Binnur Koksal , Kennedy Emma , Pektas Ayse Nur , Hart Eilish , Slack Gillian , Hewson Roger
Published: February 2023

Crimean–Congo haemorrhagic fever (CCHF) is the most widespread tick‐borne viral haemorrhagic fever affecting humans, and yet a licensed drug against the virus (CCHFV) is still not available. While several studies have suggested the efficacy of ribavirin against CCHFV, current literature remains inconclusive. In this study, we have utilised next‐generation sequencing to investigate the mutagenic effect of ribavirin on the CCHFV genome during clinical disease. Samples collected from CCHF patients receiving ribavirin treatment or supportive care only at Sivas Cumhuriyet University Hospital, Turkey, were analysed. By comparing the frequency of mutations in each group, we found little evidence of an overall mutagenic effect. This suggests that ribavirin, administered at the acute stages of CCHFV infection (at the World Health Organization‐recommended dose) is unable to induce lethal mutagenesis that would cause an extinction event in the CCHFV population and reduce viremia.
When time is running out: A growth curve analysis of older workers' retirement intentions
Authors: Cregan Christina , Kulik Carol T. , Perera Sanjeewa , Sardeshmukh Shruti
Published: February 2023

Using dynamic theory and methods, we investigate the phenomenon of older workers who withdraw from paid work while still healthy. We focus on intention to retire as the penultimate stage in the retirement process. We extend socio‐emotional selectivity theory to explain the growth of intention to retire. Older workers have a rising perception of time running out but good health allows for an ongoing choice between remaining in work or active retirement. While, in general, older people in poor health have a greater intention to retire than those in good health, we hypothesize that the passage of time motivates the healthy to increase their intention to retire, especially when manager support is low. We examine longitudinal data consisting of three waves of survey responses (2011, 2012, and 2013) from 495 workers in their 50th year and older. We employ growth curve analysis (random coefficient modeling). The findings show that over a 2‐year period, in contrast to other older workers whose retirement intention remains stable, individuals in consistently good health but with low manager support demonstrate a growth in intention to retire. That is, we identify the “queue jumpers”: those workers who speeded up their retirement process relative to other older workers.
Conditional survival in patients treated for gastric cancer with a curative intent
Authors: Ayloor Seshadri Ramakrishnan , Soman Arya C. , Aggrawal Ajit , Karnawat Anand , Patidar Shailesh , Swaminathan Rajaraman
Published: February 2023

Background and Objectives

Conditional survival (CS) provides the probability that a patient who has already survived a certain number of years after treatment will survive an additional number of years. We aim to study the CS of patients with gastric cancer.

Methods

Patients who underwent curative intent treatment for gastric cancer in a single institution between 2007 and 2018 were included in the analysis. The probability (CS) that a patient who has already survived x years will survive an additional y year, was calculated as CS (y/x) = S(x + y)/S(x).

Results

The probability of surviving an additional 3 years if a patient had already survived 1, 2, 3, 4, and 5 years after treatment were 64.2%, 74.5%, 81.6%, 83.2%, and 88.2%, respectively whereas the 4‐, 5‐, 6‐, 7‐, and 8‐year actuarial OS were only 47.2%, 43.2%, 41%, 39.4%, and 38.2%, respectively. The independent prognostic factors associated with poor survival were age >60 years, T stage ≥T3, N stage ≥N2, proximal tumor location, and lymph node ratio > 0.18. Patients with these high‐risk features showed the greatest increase in CS3 over time.

Conclusion

CS estimates provided a more dynamic prognostic information over time for patients treated for gastric cancer with curative intent.
Coherent Random Lasing in Subwavelength Quasi‐2D Perovskites
Authors: Fruhling Colton , Wang Kang , Chowdhury Sarah , Xu Xiaohui , Simon Jeffrey , Kildishev Alexander , Dou Letian , Meng Xiangeng , Boltasseva Alexandra , Shalaev Vladimir M.
Published: February 2023

Quasi‐2D lead halide perovskites have garnered increasing interest as lasing gain media. Relatively simple fabrication, high refractive index, and unique quantum well structure encourage their use in traditional cavity lasers and cavity‐free systems called random lasers (RLs). Despite tremendous advances reported thus far, coherent random lasing in quasi‐2D perovskite subwavelength films has not been reported. Consequently, coherent optical feedback mechanisms in quasi‐2D perovskite systems are still unexplored. Here, this work reports the observation of coherent random lasing in subwavelength quasi‐2D perovskite films. Statistical analysis of spectral measurements reveals Lévy‐like intensity fluctuations, replica symmetry breaking confirms random lasing, and the coherent modes are studied with spectral and spatial correlation techniques. The observed coherent lasing modes are found to be extended states that arise from the random crystal grain structure during fabrication and span the entire pump volume. These modes out‐compete diffusive lasing due to their coherence.
A general sufficient criterion for energy conservation in the Navier–Stokes system
Authors: Wang Yanqing , Ye Yulin
Published: February 2023

In this paper, we derive an energy conservation criterion based on a combination of velocity and its gradient for the weak solutions of both the homogeneous incompressible Navier–Stokes equations and the general compressible Navier–Stokes equations. For the incompressible case, this class implies almost known corresponding results on periodic domain via either the velocity or its gradient including the famous Lions' energy conservation criterion obtained in [1, Rend. Semin. Mat. Univ. Padova, 30 (1960)]. For the compressible case, this helps us to extend the previously known criteria for the energy conservation of weak solutions from the incompressible fluid to compressible flow and improve the recent results due to Nguyen‐Nguyen‐Tang in [26, Nonlinearity, 32 (2019)] and Liang in [27, Proc. Roy. Soc. Edinburgh Sect. A, (2020)].
Image‐based scatter correction for cone‐beam CT using flip swin transformer U‐shape network
Authors: Zhang Xueren , Jiang Yangkang , Luo Chen , Li Dengwang , Niu Tianye , Yu Gang
Published: February 2023

Background

Cone beam computed tomography (CBCT) plays an increasingly important role in image‐guided radiation therapy. However, the image quality of CBCT is severely degraded by excessive scatter contamination, especially in the abdominal region, hindering its further applications in radiation therapy.

Purpose

To restore low‐quality CBCT images contaminated by scatter signals, a scatter correction algorithm combining the advantages of convolutional neural networks (CNN) and Swin Transformer is proposed.

Methods

In this paper a scatter correction model for CBCT image, the Flip Swin Transformer U‐shape network (FSTUNet) model, is proposed. In this model, the advantages of CNN in texture detail and Swin Transformer in global correlation are used to accurately extract shallow and deep features, respectively. Instead of using the original Swin Transformer tandem structure, we build the Flip Swin Transformer Block to achieve a more powerful inter‐window association extraction. The validity and clinical relevance of the method is demonstrated through extensive experiments on a Monte Carlo (MC) simulation dataset and frequency split dataset generated by a validated method, respectively.

Result

Experimental results on the MC simulated dataset show that the root mean square error of images corrected by the method is reduced from over 100 HU to about 7 HU. Both the structural similarity index measure (SSIM) and the universal quality index (UQI) are close to 1. Experimental results on the frequency split dataset demonstrate that the method not only corrects shading artifacts but also exhibits a high degree of structural consistency. In addition, comparison experiments show that FSTUNet outperforms UNet, Deep Residual Convolutional Neural Network (DRCNN), DSENet, Pix2pixGAN, and 3DUnet methods in both qualitative and quantitative metrics.

Conclusions

Accurately capturing the features at different levels is greatly beneficial for reconstructing high‐quality scatter‐free images. The proposed FSTUNet method is an effective solution to CBCT scatter correction and has the potential to improve the accuracy of CBCT image‐guided radiation therapy.
Composite nerve conduction scores and signs for diagnosis and somatic staging of diabetic polyneuropathy: Mid North American ethnic cohort survey
Authors: Davies Jenny L. , Lodermeier Karen A. , Klein Diane M. , Carter Rickey E. , Dyck P. James B. , Litchy William J. , Dyck Peter J.
Published: February 2023

Introduction/Aims

In the Diabetes Control and Complications Trial (DCCT), the minimal nerve conduction (NC) criterion for diabetic sensorimotor polyneuropathy (DSPN) was abnormality of NC in more than one peripheral nerve without specifying the attributes of NCs to be evaluated. In the present study, we assess individual and composite scores of NCs meeting the DCCT criterion and signs for improved diagnosis and assessment of DSPN severity.

Methods

Evaluated were 13 attributes and 6 composite NC scores and signs and symptoms in 395 healthy subjects (HS) and 388 persons with diabetes (DM).

Results

Percent abnormality between subjects with DM and HS was remarkably different among individual attributes and the six composite NC scores. For diagnosis of DSPN using the DCCT criterion, assessment of conduction velocities (CVs) and distal latencies (DLs) provided sensitive diagnoses of DSPN. NC amplitudes provided stronger measures of severity. In studied cohorts, DSPN was staged: N0, no NC abnormality using NC score 2 (CVs and DLs), 60.0%; N1, NC abnormality only, 18.4%; N2, NC abnormality and signs of feet or legs, 16.3%; and N3, NC abnormality and signs of thighs, 5.3%.

Discussion

For sensitive and standard diagnosis of DSPN using the DCCT NC criterion, specifically defined composite scores of CVs and DLs, e.g., score 2, is recommended. A composite score of amplitudes, e.g., score 4, provides a stronger measure of neuropathy severity. Also, provided are HS reference values of evaluated attributes of NCs and estimates of staged severity of DSPN of mid North American DM cohorts.
A kind of linear‐quadratic Pareto cooperative differential game with partial information
Authors: Nie Panpan , Wang Guangchen , Wang Yu
Published: February 2023

This article is concerned with a linear‐quadratic (LQ) Pareto cooperative differential game of stochastic differential equation (SDE) with partial information, where the control system is nonhomogeneous. First, we give the existence and uniqueness of solution to a new class of conditional mean‐field forward‐backward stochastic differential equations (CMF‐FBSDEs). Next, we obtain Pareto efficient strategies with a method of weighted sum optimization. It should be noted that the results depend on weight here. Feedback Pareto efficient strategies are obtained under some special information structure, and Pareto solutions are derived through six equations. Meanwhile, we give a characterization of optimal weight under stochastic case. Finally, the theoretical results are used to solve a kind of national income problem, and numerical simulations are given.
Incorporation of graphene oxide to metal‐free phthalocyanine through hydrogen bonding for optoelectronic applications: An experimental and computational study
Authors: Yabaş Ebru , Şenadım‐Tüzemen Ebru , Kaya Savaş , Maslov Michael M. , Erden Fuat
Published: February 2023

This paper focuses on incorporation of graphene oxide (GO) to metal‐free phthalocyanine (MPc) through only hydrogen bonding and π‐π stacking. Briefly, Pc‐GO composites at various concentrations were prepared by self‐assembly method. The processing time was kept below 10 min to avoid covalent attachment and we aimed at answering the research question of what will happen if the conjugation is realized only through hydrogen bonding under extremely limited processing times. The as‐prepared MPc‐GO composites were characterized by Fourier transform infrared (FT‐IR), UV‐Vis, scanning electron microscope (SEM), and fluorescence analysis. We report that the interaction between MPc and GO could immediately be initiated upon mixing of corresponding solutions. Also, complete conjugation by hydrogen bonding and π‐π stacking could be reached even only in 5 min of sonication time. In addition, it was also determined that the prepared MPc‐GO composites are stable at room conditions and during dilution. Finally, the optoelectronic properties of MPc and MPc‐GO composites were also investigated experimentally and theoretically. Both experimental and theoretical results suggest that MPc‐GO composites exhibit improved optoelectronic properties as compared to MPc, even though the conjugation of GO to MPc was only via hydrogen bonding without covalent attachment.
Inhibition of heat‐induced protein aggregation by zirconium phthalocyanines
Authors: Chernii Svitlana , Losytskyy Mykhaylo , Tretyakova Iryna , Kharchuk Maksym , Vakarov Serhii , Kovalskyy Dmytro , Gerasymchyk Yuriy , Pekhnyo Vasyl , Chernii Viktor , Kovalska Vladyslava
Published: February 2023

Specific proteins found in food sources tend to aggregate into fibrils under heat treatment; studying these aggregation processes and developing tools to control protein heat‐induced aggregation is an active area of research. Phthalocyanine complexes are known to exhibit antiprionic and anti‐fibrillogenic activity. Thus, the anti‐fibrillogenic effect of a series of Zr phthalocyanines with different out‐of‐plane coordinated ligands, namely positively charged (PcZrLys2), negatively charged (PcZrCitr2), and group able to form disulfide bridges (PcZrS2), on the heat‐induced aggregation of such proteins as BLG, insulin, and lysozyme was studied. The inhibition of reaction activity up to about 90% was observed in the presence of these compounds for all proteins. The effective concentration of the inhibitor was calculated for the compound with the highest activity (PcZrS2) to be 10.6 ± 3.6 and 7.3 ± 1.2 μM/L, respectively. Fluorescence spectroscopy studies demonstrated similar binding constants of three phthalocyanines binding with BLG globule. This is consistent with the results of molecular dynamics simulation, which imply the interaction of the globule with the tetrapyrrole macrocycle of phthalocyanine, leading to the globule stabilization. At the same time, TEM shows that in the presence of phthalocyanine PcZrS2, thinner and longer fibrils were formed compared to control in all three proteins (BLG, insulin, and lysozyme). Thus, we can conclude that phthalocyanine PcZrS2 affects the amyloid aggregation's general mechanism, which is typical for proteins of different structures. Therefore, the phthalocyanine PcZrS2 is proposed as an anti‐amyloidogenic agent suppressing heat‐induced aggregation of proteins of different structures, making it potentially suitable for application in the food industry.
Spatial analysis of the ancient proteome of archeological teeth using mass spectrometry imaging
Authors: Dekker Joannes , Larson Tony , Tzvetkov Jordan , Harvey Virginia L. , Dowle Adam , Hagan Richard , Genever Paul , Schrader Sarah , Soressi Marie , Hendy Jessica
Published: February 2023

Rationale

Proteins extracted from archaeological bone and teeth are utilised for investigating the phylogeny of extinct and extant species, the biological sex and age of past individuals, as well as ancient health and physiology. However, variable preservation of proteins in archaeological materials represents a major challenge.

Methods

To better understand the spatial distribution of ancient proteins preserved within teeth, we applied matrix assisted laser desorption/ionisation mass spectrometry imaging (MALDI‐MSI) for the first time to bioarchaeological samples to visualise the intensity of proteins in archaeological teeth thin sections. We specifically explored the spatial distribution of four proteins (collagen type I, of which the chains alpha‐1 and alpha‐2, alpha‐2‐HS‐glycoprotein, haemoglobin subunit alpha and myosin light polypeptide 6).

Results

We successfully identified ancient proteins in archaeological teeth thin sections using mass spectrometry imaging. The data are available via ProteomeXchange with identifier PXD038114. However, we observed that peptides did not always follow our hypotheses for their spatial distribution, with distinct differences observed in the spatial distribution of several proteins, and occasionally between peptides of the same protein.

Conclusions

While it remains unclear what causes these differences in protein intensity distribution within teeth, as revealed by MALDI‐MSI in this study, we have demonstrated that MALDI‐MSI can be successfully applied to mineralised bioarchaeological tissues to detect ancient peptides. In future applications, this technique could be particularly fruitful not just for understanding the preservation of proteins in a range of archaeological materials, but making informed decisions on sampling strategies and the targeting of key proteins of archaeological and biological interest.
Using a variety of machine learning approaches to predict and map topsoil pH of arable land on a regional scale
Authors: Sun Yueqi , Sun Xiaomei , Wu Zhenfu , Yan Junying , Ma Chongyang , Zhang Jingyi , Zhao Yanfeng , Chen Jie
Published: February 2023

In order to accurately predict soil properties, various machine learning (ML) approaches and hybrid models constructed by integrating ML into regression kriging framework were used to predict and map arable land topsoil pH in Henan province, central China. Random forest (RF), cubist (Cu), support vector machine, artificial neural network, multiple linear regression, classification and regression trees (CART) and their hybrid models were compared for pH accuracy prediction. Among all standalone ML models, RF had the best predictive performance, in terms of the metrics employed in this study, followed by Cu, and CART was the worst. Compared with their ML counterparts, hybrid models could improve the accuracy of topsoil pH prediction to various extents. The accuracy improvement of the hybrid models constructed based on the simple ML was much greater than that based on the complex ensemble ML. Except for artificial neural network kriging , there was no significant difference between different hybrid models in the predicted results of topsoil pH. The outputs from the best predictive models showed that weak acidic soils and weak alkaline soils were the dominant arable soils in the study region, accounting for more than 30% and more than 50% of the total arable land area respectively, the topsoil pH of arable land in the north of the study area is generally higher than that in the south. Boruta variable selection revealed that altitude, climatic covariates closely related to soil moisture availability and some soil properties were the most critical factors affecting and controlling the topsoil pH of arable land.
Conditional concordance‐assisted learning under matched case‐control design for combining biomarkers for population screening
Authors: Li Wen , Li Ruosha , Yan Qingxiang , Feng Ziding , Ning Jing
Published: February 2023

Incorporating promising biomarkers into cancer screening practices for early‐detection is increasingly appealing because of the unsatisfactory performance of current cancer screening strategies. The matched case‐control design is commonly adopted in biomarker development studies to evaluate the discriminative power of biomarker candidates, with an intention to eliminate confounding effects. Data from matched case‐control studies have been routinely analyzed by the conditional logistic regression, although the assumed logit link between biomarker combinations and disease risk may not always hold. We propose a conditional concordance‐assisted learning method, which is distribution‐free, for identifying an optimal combination of biomarkers to discriminate cases and controls. We are particularly interested in combinations with a clinically and practically meaningful specificity to prevent disease‐free subjects from unnecessary and possibly intrusive diagnostic procedures, which is a top priority for cancer population screening. We establish asymptotic properties for the derived combination and confirm its favorable finite sample performance in simulations. We apply the proposed method to the prostate cancer data from the carotene and retinol efficacy trial (CARET).
Insights into the Electrochemical Behavior of Manganese Oxides as Catalysts for the Oxygen Reduction and Evolution Reactions: Monometallic Core‐Shell Mn/Mn3O4
Authors: Pei Yu , Wilkinson David P. , Gyenge Előd
Published: February 2023

Overcoming the sluggish electrode kinetics of both oxygen reduction and evolution reactions (ORR/OER) with non‐precious metal electrocatalysts will accelerate the development of rechargeable metal‐air batteries and regenerative fuel cells. The authors investigated the electrochemical behavior and ORR/OER catalytic activity of core‐porous shell Mn/Mn3O4 nanoparticles in comparison with other manganese dioxides (β‐ and γ‐MnO2), and benchmarked against Pt/C and Pt/C‐IrO2. Under reversible operation in O2‐saturated 5 M KOH at 22 °C, the early stage activity of core‐shell Mn/Mn3O4 shows two times higher ORR and OER current density compared to the other MnO2 structures at 0.32 and 1.62 V versus RHE, respectively. It is revealed that Mn(III) oxidation to Mn(IV) is the primary cause of Mn/Mn3O4 activity loss during ORR/OER potential cycling. To address it, an electrochemical activation method using Co(II) is proposed. By incorporating Co(II) into MnOx, new active sites are introduced and the content of Mn(II) is increased, which can stabilize the Mn(III) sites through comproportionation with Mn(IV). The Co‐incorporated Mn/Mn3O4 has superior activity and durability. Furthermore, it also surpassed the activity of Pt/C‐IrO2 with similar durability. This study demonstrates that cost‐effective ORR/OER catalysis is possible.
Breaking through Barriers: Ultrafast Microbullet Based on Cavitation Bubble
Authors: Feng Yiwen , Jia Deli , Yue Honger , Wang Jie , Song Wenping , Li Longqiu , Zhang A‐Man , Li Shuai , Chang Xiaocong , Zhou Dekai
Published: February 2023

Micromotors hold great promise for extensive practical applications such as those in biomedical domains and reservoir exploration. However, insufficient propulsion of the micromotor limits its application in crossing biological barriers and breaking reservoir boundaries. In this study, an ultrafast microbullet based on laser cavitation that can utilize the energy of a cavitation bubble and realize its own hurtling motion is reported. The experiments are performed using high‐speed photography. A boundary integral method is adopted to reveal the motion mechanism of a polystyrene (PS)/magnetic nanoparticle (MNP) microbullet under the action of laser cavitation. Furthermore, the influence of certain factors (including laser intensity, microbullet size, and ambient temperature) on the motion of the microbullet was explored. For the PS/MNP microbullet driven by laser cavitation, the instantaneous velocity obtained can reach 5.23 m s−1. This strategy of driving the PS/MNP microbullet provides strong penetration ability and targeted motion. It is believed that the reported propulsion mechanism opens up new possibilities for micromotors in a wide range of engineering applications.
Low‐Temperature Resistant Stretchable Micro‐Supercapacitor Based on 3D Printed Octet‐Truss Design
Authors: Lin Congjian , Zhang Yuan‐Fang , Lu Dingjie , Silva Arlindo , Liu Zhuangjian , Yang Hui Ying
Published: February 2023

Recently, stretchable micro‐supercapacitors (MSCs) that can be easily integrated into electronic devices have attracted research and industrial attentions. In this work, three‐dimensional (3D) stretchable MSCs with an octet‐truss electrode (OTE) design have been demonstrated by a rapid digital light processing (DLP) process. The 3D‐printed electrode structure is beneficial for electrode‐electrolyte interface formation and consequently increases the number of ions adsorbed on the electrode surface. The designed MSCs can achieve a high capacitance as ≈74.76 mF cm−3 under 1 mA cm−3 at room temperature even under a high mechanical deformation, and can achieve 19.53 mF cm−3 under 0.1 mA cm−3 at a low temperature (−30 °C). Moreover, finite element analysis (FEA) reveals the OTE structure provides 8 times more contact area per unit volume at the electrode‐electrolyte interface compared to the traditional interdigital electrode (IDE). This work combines structural design and 3D printing techniques, which provides new insights into highly stretchable MSCs for next‐generation electronic devices.
Boosting Activity and Selectivity of UiO‐66 through Acidity/Alkalinity Functionalization in Dimethyl Carbonate Catalysis
Authors: Wu Han‐Ying , Qin Ye‐Yan , Xiao Yi‐Hong , Chen Jian‐Shan , Ye Runping , Guo Rong , Yao Yuan‐Gen
Published: February 2023

The acid–base properties of supports have an enormous impact on catalytic reactions to regulate the selectivity and activity of supported catalysts. Herein, a train of Pd‐X‐UiO‐66 (X = NO2, NH2, and CH3) catalysts with different acidity/alkalinity functional groups and encapsulated Pd(II) species is first developed, whose activities in dimethyl carbonate (DMC) catalysis are then investigated in details. Thereinto, the Pd‐NO2‐UiO‐66 catalyst with acidity functionalization exhibits the best catalytic behavior: the DMC selectivity stemmed from methyl nitrite (MN) is up to 68%, the conversion of CO is 73.4%. The obtained experimental results demonstrate that the NO2 group not only affected the interaction between X‐UiO‐66 and Pd(II) active sites but also play an indispensable role in the adsorption and activation of MN and CO, which remarkably promote the formation of the COOCH3* intermediate and DMC product.
Polymer–Structure‐Induced Room‐Temperature Phosphorescence of Carbon Dot Materials
Authors: Zheng Chengyu , Tao Songyuan , Yang Bai
Published: February 2023

As emerging carbon‐based nanomaterials, carbon dots (CDs) are widely studied with regard to their luminescent properties. CDs obtained by the bottom‐up method exhibit polymeric characteristics after crosslinking, polymerization, and incomplete carbonization processes, herein referred to as carbonized polymer dots (CPDs). In recent years, large progress has been achieved on the room‐temperature phosphorescence (RTP) properties of CPDs. The developments and synthesis strategies for RTP CPD materials are reviewed. However, less attention has been devoted to the influence of polymeric structures on RTP of CPD materials. Polymer structures are a common feature of CPD materials. The extensive polymer structures are the key factors facilitating the RTP of CPD materials. Herein, the effects of the polymer structures on the RTP emission of self‐protective CPD and matrix‐assisted CPD materials are discussed. It is considered that the polymer structures can effectively immobilize subluminophores and protect triplet excited states to facilitate the RTP emission of CPD materials. The crosslink‐enhanced emission (CEE) effect is proposed to further explain the RTP emission of CPD materials, which can provide an effective strategy to immobilize CPDs. Benefiting from CEE effect, efficient RTP can be achieved for CPD materials. The applications of CPD materials are then briefly summarized.
Asymmetric Synthesis of a Quaternary Carbon Stereogenic Center by Organocatalysis Using a Primary Amino Acid and Its Salt
Authors: Yoshida Masanori
Published: February 2023

In this personal account, our recent developments on the asymmetric synthesis of a quaternary carbon stereogenic center by organocatalysis using a primary amino acid and its salt as a catalyst are described in three chapters: (1) conjugate addition to nitroalkenes and vinyl ketones, (2) nucleophilic addition to π‐allyl palladium complexes, and (3) nucleophilic substitution reactions with allyl and propargyl halides. By these methods, asymmetric α‐allylation of α‐branched aldehydes and ketones smoothly proceeded to give γ‐nitroaldehydes, ketoaldehydes, α‐allylated aldehydes, and α‐allylated β‐ketoesters possessing a quaternary carbon stereogenic center in good yields with high enantioselectivities.
Field evaluation of semi‐automated moisture estimation from geophysics using machine learning
Authors: Terry Neil , Day‐Lewis Frederick D. , Lane John W. , Johnson Carole D. , Werkema Dale
Published: February 2023

Geophysical methods can provide three‐dimensional (3D), spatially continuous estimates of soil moisture. However, point‐to‐point comparisons of geophysical properties to measure soil moisture data are frequently unsatisfactory, resulting in geophysics being used for qualitative purposes only. This is because (1) geophysics requires models that relate geophysical signals to soil moisture, (2) geophysical methods have potential uncertainties resulting from smoothing and artifacts introduced from processing and inversion, and (3) results from multiple geophysical methods are not easily combined within a single soil moisture estimation framework. To investigate these potential limitations, an irrigation experiment was performed wherein soil moisture was monitored through time, and several surface geophysical datasets indirectly sensitive to soil moisture were collected before and after irrigation: ground penetrating radar, electrical resistivity tomography (ERT), and frequency domain electromagnetics (FDEM). Data were exported in both raw and processed form, and then snapped to a common 3D grid to facilitate moisture prediction by standard calibration techniques, multivariate regression, and machine learning. A combination of inverted ERT data, raw FDEM, and inverted FDEM data was most informative for predicting soil moisture using a random regression forest model (one‐thousand 60/40 training/test cross‐validation folds produced root mean squared errors ranging from 0.025–0.046 cm3/cm3). This cross‐validated model was further supported by a separate evaluation using a test set from a physically separate portion of the study area. Machine learning was conducive to a semi‐automated model‐selection process that could be used for other sites and datasets to locally improve accuracy.
A roadmap for required technological advancements to further reduce onshore wind turbine noise impact on the environment
Authors: Bertagnolio Franck , Herr Michaela , Madsen Kaj Dam
Published: February 2023

The noise emission of wind turbines and farms can be an important and limiting factor for future cost reductions and growth of wind energy. Closing scientific and technological gaps on wind turbine noise is thus directly supporting the further development of renewable energy while reducing adverse reactions toward wind farms. The present article is providing guidance on the most relevant research directions from an engineering perspective, namely: simulation methods, wind tunnel testing, and wind turbine design. Each topic is addressed separately and specific scientific challenges are identified. Future research directions that may improve our physical understanding of wind turbine noise, as well as facilitate the deployment of wind energy, are outlined. It is concluded that future scientific research on the topic of wind turbine noise should be conducted in a multidisciplinary context to maximize its impact. The suggested topics shall be seen as a collection of what is seen as the most relevant topics across research and product development but shall not be seen as exclusive or interlinked with specific development plans.

This article is categorized under:

Sustainable Energy > Wind Energy

Human and Social Dimensions > Social Acceptance
Mechanism of Dihydrogen Splitting by An Apparent Bimetallic Frustrated Lewis Pair based on Ir(III)/Pt(0)
Authors: Moreno Juan J. , Pita‐Milleiro Alejandra , Luque‐Gómez Ana , Espada María F. , López‐Serrano Joaquín , Campos Jesús
Published: February 2023

The incorporation of transition metals into frustrated Lewis pairs (FLPs) offers multiple opportunities for bond activation and catalysis. In this work, we explore the combination of the Lewis acidic Ir(III) cation [(η5‐C5Me5)IrCl(PMe2ArDipp2)]+ (ArDipp2=C6H3−2,6‐(C6H3−2,6‐iPr2)2) with the Lewis basic Pt(0) compound Pt(PtBu3)2. The bulkiness of the phosphine ligands prevents the formation of a bimetallic adduct. We have explored the cooperative cleavage of dihydrogen to gauge bimetallic FLP reactivity. As anticipated, compounds [(η5‐C5Me5)Ir(Cl)(H)(PMe2ArDipp2)] and [PtH(PtBu3)2]+ are rapidly formed, which suggests an actual FLP mechanism operating. However, our in‐depth experimental/computational study evidences that the whole process is considerably more complicated. Instead of a genuine FLP‐type activation, we favor a synergistic route that entails a number of equilibrium processes and the Brønsted catalyzed hydrogenation of the Pt(0) precursor.