bluuebunny/crossref_metadata_2025 huggingface dataset:
Profiling of small‐molecule necroptosis inhibitors based on the subpockets of kinase–ligand interactions
Authors: Xu Lijuan , Zhuang Chunlin
Published: April 2023

Necroptosis is a highly regulated cell death (RCD) form in various inflammatory diseases. Receptor‐interacting protein kinase 1 (RIPK1) and RIPK3 are involved in the pathway. Targeting the kinase domains of RIPK1 and/or 3 is a drug design strategy for related diseases. It is generally accepted that essential reoccurring features are observed across the human kinase domains, including RIPK1 and RIPK3. They present common N‐ and C‐terminal domains that are built up mostly by α‐helices and β‐sheets, respectively. The current RIPK1/3 kinase inhibitors mainly interact with the kinase catalytic cleft. This article aims to present an in‐depth profiling for ligand–kinase interactions in the crucial cleft areas by carefully aligning the kinase‐ligand cocrystal complexes or molecular docking models. The similarity and differential structural segments of ligands are systematically evaluated. New insights on the adaption of the conserved and selective kinase domains to the diversity of chemical scaffolds are also provided. In a word, our analysis can provide a better structural requirement for RIPK1 and RIPK3 inhibition and a guide for inhibitor discovery and optimization of their potency and selectivity.
Propagation dynamics of a discrete diffusive equation with non‐local delay
Authors: Tian Ge , Zhang Guo‐Bao
Published: April 2023

This paper is concerned with the propagation dynamics of a discrete diffusive equation with non‐local delay. First of all, by exploring the asymptotic behavior of the solution of the upper system corresponding to the perturbation equation, we obtain the global stability of semi‐wavefronts. It is noteworthy that the kernel function
can be asymmetric (i.e.,
). Secondly, we estimate the level set of the equation on the basis of the above stability. In particular, the results show that the solution of the compact supported initial value problem is not persistent in special case.
MicroRNA‐29a Compromises Hepatic Adiposis and Gut Dysbiosis in High Fat Diet‐Fed Mice via Downregulating Inflammation
Authors: Yang Ya‐Ling , Huang Ying‐Hsien , Wang Feng‐Sheng , Tsai Ming‐Chao , Chen Chien‐Hung , Lian Wei‐Shiung
Published: April 2023

Scope

miR‐29a expression patterns influence numerous physiological phenomena. Of note, upregulation of miR‐29a ameliorates high‐fat diet (HFD)‐induced liver dysfunctions in mice. However, the miR‐29a effect on gut microbiome composition and HFD‐induced gut microbiota changes during metabolic disturbances remains unclear. The study provides compelling evidence for the protective role of miR‐29a in gut barrier dysfunction and steatohepatitis.

Methods and results

miR‐29a overexpressed mice (miR‐29aTg) are bred to characterize intestinal, serum biochemical, and fecal microbiota profiling features compared to wild‐type mice (WT). Mice are fed an HFD for 8 months to induce steatohepatitis, and intestinal dysfunction is determined via histopathological analysis. miR‐29aTg has better lipid metabolism capability that decreases total cholesterol and triglyceride levels in serum than WT of the same age. The study further demonstrates that miR‐29aTg contributes to intestinal integrity by maintaining periodic acid Schiff positive cell numbers and diversity of fecal microorganisms. HFD‐induced bacterial community disturbance and steatohepatitis result in more severe WT than miR‐29aTg. Gut microorganism profiling reveals Lactobacillus, Ruminiclostridium_9, and Lachnoclostridium enrichment in miR‐29aTg and significantly decreases interleukin‐6 expression in the liver and intestinal tract.

Conclusion

This study provides new evidence that sheds light on the host genetic background of miR‐29a, which protects against steatohepatitis and other intestinal disorders.
Triple‐band metasurface absorber for RF energy harvesting applications
Authors: Agrahari Rajan , Singh Satyesh , Samantaray Diptiranjan , Kumar Bambam , Bhattacharyya Somak , Mahto Manpuran , Jain Pradip K.
Published: April 2023

Energy harvesting is expected to be ubiquitous and essential to modern‐day life in the future. The limitations of ambient sources, such as thermal, mechanical, and solar, for energy harvesting can be overcome by RF energy harvesting for low‐power devices. With the help of perfect metasurface absorbers, an electromagnetic wave can be used as an ambient source for energy harvesting. In this paper, a simple polarization‐insensitive triple‐band perfect metasurface absorber is proposed for RF energy harvesting applications. The three‐layer (metal–dielectric–metal) meta‐atom of the designed metasurface consists of a cross‐shaped metal patch surrounded by slotted square‐shaped metallic patches and of meta‐atoms. The absorber is typically developed in S‐ and C‐bands with resonant frequencies of 3.06, 3.9, and 5.97 GHz. The absorption is near unity which persists over a wide angle of incidence. The experimental results are in close agreement, within 2%, with the simulation results. The reliability of the proposed absorber has been determined for the RF energy harvesting applications, and a high harvesting efficiency of 94.4% and 84% has been observed at 3.07 and 5.97 GHz, respectively.
Correlation of muscle ultrasound with clinical and pathological findings in idiopathic inflammatory myopathies
Authors: Yoshida Takeshi , Yamazaki Hiroki , Nishimori Yukako , Takamatsu Naoko , Fukushima Koji , Osaki Yusuke , Taniguchi Yoshinori , Nozaki Taiki , Kumon Yoshitaka , Albayda Jemima , Nishino Ichizo , Izumi Yuishin
Published: April 2023

Introduction/Aims

In idiopathic inflammatory myopathies (IIMs), the change in muscle echogenicity and its histopathological basis are not well understood. We quantitatively measured muscle echogenicity in patients with IIMs and evaluated its correlation with disease activity and histopathological findings.

Methods

This study involved patients with IIMs who underwent both ultrasonography (US) and muscle biopsy, as well as age‐ and sex‐matched rheumatoid arthritis patients as inflammatory disease controls. On US, axial images of the right biceps brachii and vastus medialis were obtained. Standardized histopathological scoring was used to quantitatively measure each pathological domain.

Results

Forty‐two patients (17 with inclusion body myositis [IBM] and 25 with IIMs other than IBM) and 25 controls were included. The muscle echo intensity (EI) of patients with IIMs was significantly higher than that of controls. Muscle EI showed significant correlations with creatine kinase (r = 0.66, p < .001) and muscle strength (r = −0.73, p < .0001) in patients with non‐IBM IIMs. In patients with IBM, moderate correlation was found between muscle EI and quadriceps muscle strength (r = −0.53, p = .028). Histopathologically, the number of infiltrating CD3+ inflammatory cells correlated with muscle EI in the non‐IBM group (r = 0.56, p = .017), but not in the IBM group.

Discussion

Muscle EI may be useful as a surrogate marker of muscle inflammation in non‐IBM IIM. Increased muscle EI may be difficult to interpret in patients with long‐standing IBM, which has advanced and complex histopathology.
Mitigating the COVID‐19 pandemic through data‐driven resource sharing
Authors: Keyvanshokooh Esmaeil , Fattahi Mohammad , Freedberg Kenneth A. , Kazemian Pooyan
Published: April 2023

COVID‐19 outbreaks in local communities can result in a drastic surge in demand for scarce resources such as mechanical ventilators. To deal with such demand surges, many hospitals (1) purchased large quantities of mechanical ventilators, and (2) canceled/postponed elective procedures to preserve care capacity for COVID‐19 patients. These measures resulted in a substantial financial burden to the hospitals and poor outcomes for non‐COVID‐19 patients. Given that COVID‐19 transmits at different rates across various regions, there is an opportunity to share portable healthcare resources to mitigate capacity shortages triggered by local outbreaks with fewer total resources. This paper develops a novel data‐driven adaptive robust simulation‐based optimization (DARSO) methodology for optimal allocation and relocation of mechanical ventilators over different states and regions. Our main methodological contributions lie in a new policy‐guided approach and an efficient algorithmic framework that mitigates critical limitations of current robust and stochastic models and make resource‐sharing decisions implementable in real‐time. In collaboration with epidemiologists and infectious disease doctors, we give proof of concept for the DARSO methodology through a case study of sharing ventilators among regions in Ohio and Michigan. The results suggest that our optimal policy could satisfy ventilator demand during the first pandemic's peak in Ohio and Michigan with 14% (limited sharing) to 63% (full sharing) fewer ventilators compared to a no sharing strategy (status quo), thereby allowing hospitals to preserve more elective procedures. Furthermore, we demonstrate that sharing unused ventilators (rather than purchasing new machines) can result in 5% (limited sharing) to 44% (full sharing) lower expenditure, compared to no sharing, considering the transshipment and new ventilator costs.
P1$$ {P}_1 $$–Nonconforming quadrilateral finite element space with periodic boundary conditions: Part I. Fundamental results on dimensions, bases, solvers, and error analysis
Authors: Yim Jaeryun , Sheen Dongwoo
Published: April 2023

The –nonconforming quadrilateral finite element space with periodic boundary conditions is investigated. The dimension and basis for the space are characterized by using the concept of minimally essential discrete boundary conditions. We show that the situation is different based on the parity of the number of discretizations on coordinates. Based on the analysis on the space, we propose several numerical schemes for elliptic problems with periodic boundary conditions. Some of these numerical schemes are related to solving linear equations consisting of non‐invertible matrices. By courtesy of the Drazin inverse, the existence of corresponding numerical solutions is guaranteed. The theoretical relation between the numerical solutions is derived, and it is confirmed by numerical results. Finally, the extension to the three dimensions is provided.
Strength prediction and experimental damage investigations of plain woven CFRPs with interacting holes using multi‐instrument measurements
Authors: Khan Raja Muhammad Awais , Shafighfard Torkan , Ali Hafiz Qasim , Mieloszyk Magdalena , Yildiz Mehmet
Published: April 2023

Composite structures with holes have been utilized in different applications, for example, swash plates, adaptor plates, and repair patches. These notches reduce the structural performance of the composite plates. In a woven composite plate with two interacting holes, the orientation of the holes affects the stress concentration factor (SCF) and strength of the laminate. The SCF determined by finite‐element method (FEM) shows that the structural performance of the sample with a single hole is improved through drilling one more hole along the loading direction. The main purpose of this article is to investigate, numerically and experimentally, the interaction between two holes, oriented at different angles, when the plate is subjected to tension. The location of the critical region depends on the configuration of the holes. The critical region and characteristic distances are established for each sample combining the FEM and digital image correlation (DIC) techniques. Point stress criterion (PSC) and extended‐PSC (EPSC) methods are utilized to predict the final failure strength of specimens. The failure progression under the influence of interaction between the two holes is investigated by infrared thermography (IRT). Moreover, to complement the IRT and mechanical results, fractographic analysis is conducted and it is concluded that a delamination dominated fracture along loading direction takes place in samples with two holes while a transversal matrix dominated failure is observed for the single notch specimen.
Adoption of inpatient family‐based treatment for anorexia nervosa: A case report
Authors: Nishiura Sayaka , Miyawaki Dai , Goto Ayako , Kaoru Hirai , Sakamoto Shoko , Hama Hiroki , Kadono Shin , Inoue Koki
Published: April 2023

Background

Family‐based treatment (FBT) is effective for the treatment of anorexia nervosa (AN) in children and adolescents. However, its availability in Japan is limited because it requires adherence to specific guidelines, commitment of sufficient time for frequent outpatient treatment, as well as the entire family's participation. We present a case of a patient with AN who was treated with modified FBT during hospitalization.

Case Presentation

Our patient was a 14‐year‐old girl with AN. She was hospitalized for malnutrition and dehydration, and was introduced to FBT during this period. After discharge, she continued FBT on an outpatient basis and was in remission 1 year later.

Conclusion

This case shows that initiation of FBT during hospitalization may be useful in patients with physically severe AN. Flexible adaptation to each of the diverse healthcare systems and cultural differences may be necessary for the widespread use of FBT.
Bring the outcome expectations back in: Chinese adolescent perceived value of effort and academic achievement
Authors: Xie Yongxiang , He Jun
Published: April 2023

The existing literature mainly examines the impact of academic self‐efficacy on academic achievement in educational psychology. Much less is known about the relationship between outcome expectations and adolescent academic achievement. This article applies the random intercept model to investigate the association between Chinese adolescent perceived value of effort as outcome expectations and academic achievement and employs the Karlson, Holm, and Breen (KHB) method to examine the underlying mechanisms. Additionally, this paper uses the random coefficient model to explore the heterogeneous association between the perceived value of effort and adolescent academic achievement across families and schools. Based on the Programme for International Students Assessment 2018 (N = 11751; 48.07% females), we found that the adolescent perceived value of effort was significantly and positively correlated with academic achievement. Adolescent educational expectations and academic engagement partially mediated the relationship between the perceived value of effort and academic achievement. Adolescents from disadvantaged families and schools benefited more from the perceived value of effort. These findings enhance existing literature by revealing how the adolescent outcome expectations contribute to academic achievement and provide a scientific basis for bridging the gap in academic achievement between families and schools to promote equity in education.
Applying distributed practice in the schools to enhance retention of spelling words
Authors: Petersen‐Brown Shawna , Riese Abbey M. , Schneider Melissa M. , Ray Jannine E. , Clonkey Hannah R.
Published: April 2023

Distributed practice is often cited as a best practice for instruction, although research on the application of spaced practice to schools is limited. The impact of practice distributed across days and the impact of practice distributed within sessions were examined. Second and third grade participants (n = 88) were randomly assigned to practice eight spelling words in a massed or distributed fashion, both within sessions and across sessions. Retention was measured immediately and 28 days after the final practice sessions. No differences in immediate retention were observed. Retention after 28 days was greater when across‐session distributed practice was provided. These results suggested that practice distributed across weekly sessions was most beneficial.
Registration of oat cultivar ‘Rushmore’
Authors: Caffe Melanie , Hall Lon , Hall Nicholas , Bauer Rachel , Kleinjan Jonathan , Graham Christopher , Ingemansen Jack A. , Turnipseed Brent , Krishnan Padmanaban
Published: April 2023

More awareness from consumers on the health benefits of oat (Avena sativa L.) in the last few decades has increased the demand for oat. However, in the United States, oat production has continued to decline. Most of the oats used in U.S. food products are imported from Canada. Although oats are known to fit well in corn (Zea mays L.)–soybean [Glycine max (L.) Merr] rotations, difficulties in marketing the grain and relatively low prices in comparison to corn and soybeans have limited the number of acres planted to oats. High‐yielding oat cultivars adapted to the Northern Great Plains with high test weight and good milling characteristics are needed. ‘Rushmore’ (Reg. no. CV‐388, PI 698122) is a spring oat cultivar released by the South Dakota Agricultural Experiment Station in 2019. Rushmore was derived from the three‐way cross SD080015//SD070110/SD060130 and developed using a modified bulk and single‐seed descent method. Prior to release, Rushmore was tested in the uniform early oat performance nursery in 2016 and 2017 and in the South Dakota Crop Performance Testing oat variety trial since 2017. Rushmore was evaluated as experimental line SD140515 and evaluated for grain yield, test weight, disease resistance, lodging resistance, grain shape, milling characteristics, and grain composition. Rushmore was released to oat producers due to its combination of high grain yield, excellent test weight, lodging and disease resistance, and good milling characteristics. The excellent test weight potential of Rushmore is expected to help producers in marketing their grain to the feed and food industries.
Registration of ‘ND Frohberg’ hard red spring wheat
Authors: Green Andrew J. , Mergoum Mohamed , Frohberg Richard , Underdahl Jesse , Walz Adam , Selland Thor , Miranda Andre , Simsek Senay , Otteson Brian , Heilman‐Morales Ana Maria , Murillo Didier , Friskop Andrew , Rickertsen John , Ostlie Mike , Schatz Blaine , Hanson Bryan , Mehlhoff Randy , Eriksmoen Eric , Martin Glenn , Fiedler Jason , Rasmussen Jack , Zhong Shaobin , Liu Zhaohui , Friesen Tim , Rouse Matthew , Jin Yue , Dill‐Macky Ruth , Curland Rebecca D. , Gill Upinder
Published: April 2023

‘ND Frohberg’ (Reg. no. CV‐1200, PI 698310) is a hard‐red spring wheat (HRSW; Triticum aestivum L.) developed at North Dakota State University (NDSU) and released by the North Dakota Agricultural Experiment Station (NDAES) in 2020. ND Frohberg was selected from the cross ND709‐9/ND2902. ND709‐9 was an experimental line with the pedigree (ND 2709/3/’Grandin’*3//’Ramsey’/ND 622). ND2902 was an experimental line with the pedigree (ND674//ND2710/ND688). It was tested as experimental line NDHRS16‐13‐97 and released because of improved straw strength, yield potential, strong disease resistance and end‐use quality. ND Frohberg is highly resistant to stem rust (caused by Puccinia graminis f.sp. tritici), and moderately resistant to leaf rust (caused by Puccinia triticina), bacterial leaf streak (caused by Xanthomonas translucens pv. undulosa), and Fusarium head blight (caused by Fusarium graminearum). The name ND Frohberg was chosen to honor Dr. Richard Frohberg, hard red spring wheat breeder at NDSU for 37 years. During his tenure at NDSU, Dr. Frohberg's varieties were widely cultivated, reaching as much as 65% of the acreage in North Dakota in 2003. He was responsible for the cross that resulted in this variety.
An unexpected change in reaction mechanism in the homo‐Diels‐Alder cycloadditions of N‐methyl‐1,2,4‐triazoline‐3,5‐dione with a series of bicycloalkadienes
Authors: Breton Gary W.
Published: April 2023

Bicycloalkadienes are known to engage in homo‐Diels‐Alder reactions with potent dienophiles such as N‐substituted 1,2,4‐triazoline‐3,5‐diones (TAD). We investigated the reaction of N‐methyl TAD (MeTAD) with the three dienes bicyclo[2.2.1]hepta‐2,5‐diene (norbornadiene), bicyclo[2.2.2]octa‐2,5‐diene, and bicyclo[3.2.2]nona‐6,8‐diene experimentally and computationally. Experimentally, the C7 and C8 dienes resulted in the formation of the expected homo‐Diels‐Alder product. However, the C9 diene formed a rearranged adduct that could be explained by the intermediacy of an aziridinium imide intermediate. These findings were supported by computational studies (ωB97X‐D/def2‐SVP{CH2Cl2}) in which not only were the observed products predicted but transition states leading to the products were successfully located. Ultimately, it was determined that subtle differences in transition state structures and energies determine the course of the reaction.
Doped Graphene Quantum Dots Modified Zn0.9Cd0.1Se for Improved Photoelectric Properties
Authors: Lei Yun , Chen Jiong , Wu Yuncui , Bao Shenxu , Du Peng , Wang Yongqin , Li Can , Du Beibei , Luo Linhui
Published: April 2023

S‐graphene quantum dots (GQDs), N‐GQDs, P‐GQDs, and Cl‐GQDs are prepared by a solution chemistry method and further incorporated with ZnxCd1−xSe by one‐step hydrothermal method. In the previous study, ZnxCd1−xSe reached the optimal photoelectric performances at the Zn/Cd ratio of 0.9:0.1, so the Zn0.9Cd0.1Se were combined with doped GQDs (D‐GQDs) to form Zn0.9Cd0.1Se/doped‐GQDs. The influence of GQDs doped with different elements on the photoelectric properties of Zn0.9Cd0.1Se composites is discussed. Compared with pristine Zn0.9Cd0.1Se, Zn0.9Cd0.1Se/Cl‐GQDs, and Zn0.9Cd0.1Se/P‐GQDs can improve the photocurrent response and current intensity, therein, Zn0.9Cd0.1Se/Cl‐GQDs reaches the lowest interfacial charge transfer resistance and the highest photocurrent response of 5.48 × 10−6 A cm−2. Mott–Schottky analysis shows that the fitting slope of Zn0.9Cd0.1Se/Cl‐GQDs composites is significantly lower than that of Zn0.9Cd0.1Se/GQDs with other doped elements. The results indicate that Zn0.9Cd0.1Se/Cl‐GQDs composites has the largest carrier density, which is beneficial to charge conduction.
Identification of key molecular players and associated pathways in cervical squamous cell carcinoma progression through network analysis
Authors: Thippana Mallikarjuna , Dwivedi Ayushi , Das Abhishek , Palanisamy Manimaran , Vindal Vaibhav
Published: April 2023

Cervical cancer is the primary cause of mortality among women in developing countries. Preventing cervical cancer is partially possible through early vaccination against the human papillomavirus, the most common cause of the disease. Nevertheless, it is imperative to understand the genetics of the disease progression to develop new therapeutic strategies. The present study aims to identify potential genes and associated pathways associated with cervical squamous cell carcinoma progression. We used an integrative approach by combining differential expression analysis, network biology, and functional enrichment analysis with survival analysis. In the present study, differential expression analysis of the microarray‐based gene expression profiles of cervical cancer resulted in identifying a total of 544 significantly differentially expressed genes (DEGs). Further, centrality and network vulnerability analysis of the protein–protein interaction network (PPIN) and not well documented in cervical cancer, resulted in seven proteins (FN1, MCM5, TRIP13, KIF11, TTK, CDC45, and BUB1B), in which four proteins were vulnerable. These genes are mostly enriched in biological processes of cell division, mitotic nuclear division, cell cycle checkpoint, and cell proliferation in gene ontology analysis. The KEGG pathway enrichment analysis of the proteins lists them as mainly associated with the cell cycle. In the survival analysis, it was found that the genes MCM5, FN1, KIF11, and CDC45 were statistically significant prognostic factors for cervical cancer. The outcome of the current study identifies and explores the key role of the candidate genes involved in the progression of cervical cancer.
Improved inference forMCP‐Modapproach using time‐to‐event endpoints with small sample sizes
Authors: Diniz Márcio A. , Gallardo Diego I. , Magalhães Tiago M.
Published: April 2023

The Multiple Comparison Procedures with Modeling Techniques (MCP‐Mod) framework has been recently approved by the U.S. Food, Administration, and European Medicines Agency as fit‐for‐purpose for phase II studies. Nonetheless, this approach relies on the asymptotic properties of Maximum Likelihood (ML) estimators, which might not be reasonable for small sample sizes. In this paper, we derived improved ML estimators and correction for their covariance matrices in the censored Weibull regression model based on the corrective and preventive approaches. We performed two simulation studies to evaluate ML and improved ML estimators with their covariance matrices in (i) a regression framework (ii) the Multiple Comparison Procedures with Modeling Techniques framework. We have shown that improved ML estimators are less biased than ML estimators yielding Wald‐type statistics that controls type I error without loss of power in both frameworks. Therefore, we recommend the use of improved ML estimators in the MCP‐Mod approach to control type I error at nominal value for sample sizes ranging from 5 to 25 subjects per dose.
Promising clinical outcomes of nano‐curcumin treatment as an adjunct therapy in hospitalized COVID‐19 patients: A randomized, double‐blinded, placebo‐controlled trial
Authors: Sadeghizadeh Majid , Asadollahi Elahe , Jahangiri Babak , Yadollahzadeh Mahdi , Mohajeri Maryam , Afsharpad Mandana , Najafi Farhood , Rezaie Nader , Eskandari Mohana , Tavakoli‐Ardakani Maria , Feizabadi Faezeh , Masjedi Mohammad Reza
Published: April 2023

Different immunomodulation strategies have been used to manage COVID‐19 due to the complex immune‐inflammatory processes involved in the pathogenesis of this infection. Curcumin with its powerful anti‐inflammatory and antiviral properties could serve as a possible COVID‐19 therapy. In this study, a randomized, double‐blinded, placebo‐controlled trial was performed to investigate the effectiveness and safety of nano‐curcumin oral soft gels as a complementary therapy in moderate–severe COVID‐19 patients. Hydroxychloroquine (HCQ) plus sofosbuvir was routinely administered to all 42 COVID‐19 patients, who were randomly assigned to receive 140 mg of nano‐curcumin or placebo for 14 days. CT scans of the chest were taken, and blood tests were run for all patients at time points of 0, 7, and 14 days. Our results indicated that C‐reactive protein (CRP) and erythrocyte sedimentation rate (ESR) levels significantly decreased from baseline in the nano‐curcumin‐treated group on day 7. Furthermore, blood levels of D‐dimer, CRP, serum ferritin, ESR, and inflammatory cytokines including IL‐6, IL‐8, and IL‐10 decreased more significantly in the nano‐curcumin‐treated group after 14 days. Additionally, the nano‐curcumin group showed significant improvements in chest CT scores, oxygen saturation levels, and hospitalization duration. Based on our data, oral administration of nano‐curcumin may be regarded as a promising adjunct treatment for COVID‐19 patients due to its ability to speed up chest clearance and recovery.
Research progress of proanthocyanidins and anthocyanidins
Authors: Zhao Yang , Jiang Chengqing , Lu Jiaying , Sun Yihan , Cui Yingyu
Published: April 2023

Proanthocyanidins (PA) are polyphenol compounds that are widely distributed in the bark, fruit core, skin, or seeds of various plants. Anthocyanidins are water‐soluble natural pigments widely found in plants. They are all flavonoids, a major coloring substance in plants and fruits. In recent years, research into PA and anthocyanins has become increasingly popular because of their excellent anti‐oxidation, scavenging of reactive oxygen free radicals and other physical and chemical activities, and their anti‐cancer, vision protection, aging prevention, skin beauty pharmacological, and nutraceutical effects. Especially, recent systematic reviews and meta‐analyses indicate their value, safety, and efficacy in the prevention, adjuvant therapy, and management of cardiometabolic disease. Here, we summarize their research progress from the aspects of chemical structure, biosynthetic pathways, distribution, extraction and separation, coloration, efficacy, and potential. The comparison between them might provide a reference for their development and efficient utilization. However, more large‐sample‐size randomized controlled trials and high‐quality studies are needed to firmly establish their clinical efficacy.
Pharmacokinetics, pharmacodynamics, toxicity, and formulations of daidzein: An important isoflavone
Authors: Laddha Ankit P. , Kulkarni Yogesh A.
Published: April 2023

Daidzein, 7‐hydroxy‐3‐(4‐hydroxyphenyl)‐4H‐chromen‐4‐one is a naturally occurring compound present in leguminous plants, especially in soybeans. Chemically it belongs to the isoflavone class and possesses high nutritive value. Daidzein acts on estrogen receptor and is non‐steroidal in nature hence it can also be called as non‐steroidal phytoestrogenic compound. Daidzein has been studied by many researchers for its pharmacological activities. Daidzein metabolites were also studied in detail for their health benefits. Researchers have developed novel formulations of daidzein in the past few years to improve its aqueous solubility and bioavailability. Self‐emulsified daidzein, poly(lactic‐co‐glycolic) acid daidzein nanoparticles, nanoemulsion, nanoemulsion gel, and co‐crystals are a few of them. The present review provides detailed information on the chemistry, drug development aspects, pharmacokinetics, and pharmacodynamics of daidzein. A literature search was performed using various datasets like PubMed, EBSCO, ProQuest Scopus, and selected websites including the National Institutes of Health and the World Health Organization. Daidzein has a wide range of pharmacodynamic properties in the treatment of cancer, neurodegenerative disorders, cardiac disorders, diabetes and its complication, osteoporosis, and skin disorders. The pharmacokinetic, pharmacodynamics, and drug development aspects of daidzein will help researchers to design further research work on daidzein in the future.
A new multivariate extended homogeneously weighted moving average monitoring scheme incorporated with a support vector machine
Authors: Pieters Luke , Malela‐Majika Jean‐Claude , Human Schalk , Castagliola Philippe
Published: April 2023

Statistical process monitoring (SPM) provides a way, by means of monitoring schemes, to be alerted when a process significantly changes, and to initiate investigations for potential causes of variation. However, these schemes can only determine if the process is stable or unstable and they cannot provide any additional information. Several researchers have recommended the integration of machine learning (ML) approaches into SPM as a solution for the shortfalls of the techniques used to construct traditional monitoring schemes. This paper introduces a new multivariate extended homogeneously weighted moving average (MEHWMA) monitoring scheme and investigates its performance in terms of the run‐length distribution using simulation. In addition, the proposed MEHWMA scheme is integrated with a support vector machine to allow for the classification of the out‐of‐control events which facilitates the identification of the root causes of variation in the process. A numerical illustrative example is provided using real‐life data.
PE, or not PE, that is the question: The case of overlooked lyso‐N‐acylphosphatidylethanolamines
Authors: Ventura Giovanni , Calvano Cosima Damiana , Bianco Mariachiara , Castellaneta Andrea , Losito Ilario , Cataldi Tommaso R. I.
Published: April 2023

Rationale

Lyso derivatives of N‐acyl‐1,2‐diacylglycero‐3‐phosphoethanolamines (L‐NAPEs) are a lipid class mostly expressed in vegetables during stress and tissue damage that is involved in the synthesis of the lipid mediator N‐acylethanolamines. L‐NAPEs can be challenging to distinguish from isomeric phosphatidylethanolamines (PEs), especially in extracted complex samples where they could be confused with abundant PEs.

Methods

In this study, hydrophilic interaction liquid chromatography with electrospray ionization hyphenated with (tandem) mass spectrometry (MS) was proposed to distinguish L‐NAPEs and PEs as deprotonated molecules, [M − H]─, using both high‐resolution/accuracy Fourier transform MS and low‐resolution linear ion trap (LIT) mass analyzers. MS3 experiments of [M − H − KE]─ as precursor ions (KE, ketene loss) using the LIT instrument allowed us to distinguish between isomeric L‐NAPE and PE species.

Results

Regiochemical rules were proposed working on enzymatically synthesized L‐NAPEs. A few key differences in MS/MS spectra, including abnormal intensity of acyl chain losses as fatty acids, the presence of N‐acylphosphoethanolamine ions, and diagnostic ions of the polar head, were disclosed. Additionally, MS3 spectra of [M − H − KE]─ as precursor ions allowed us to confirm the identification of L‐NAPE species. The proposed rules were applied to samples extracted from tomato by‐products including stems and leaves.

Conclusions

Overall, our methodology is demonstrated as a robust approach to recognizing L‐NAPEs in complex samples. L‐NAPEs 18:2‐N‐18:2, 18:2‐N‐18:3, 18:3‐N‐18:2, and 18:2‐N‐18:1 were the prevailing compounds in the analyzed tomato samples, accounting for more than 90%. In summary, a reliable method for identifying L‐NAPEs in complex samples is described. The proposed method could prevent overlooking L‐NAPEs and overestimating isomeric PE species in future lipid analyses.
Consensus of interconnected systems via event‐triggered control with different cyber‐physical topologies
Authors: Yu Guan‐Nan , Xiao Jiang‐Wen , Liu Xiao‐Kang , Zeng Ze‐Hong , Wang Yan‐Wu
Published: April 2023

In this paper, the consensus problem for a class of interconnected systems with different cyber‐physical topologies is investigated. A two‐layer control framework is proposed where two different connections exist among the systems in physical and cyber layers, respectively. The former directly reflects the physical coupling among systems, while the latter uses the states' information transferred by communication channels to generate control. The physical and cyber topologies are undirected and not required to be connected. An event‐triggered protocol based on cyber local sampled information is designed with no need to solve any matrix equation or inequality. Theoretical sufficient conditions for consensus are derived in terms of algebraic inequality and Zeno behavior is excluded. A novel expandable construction scheme is proposed to construct switching topologies for cyber layer. Numerical simulation and comparison show the effectiveness of the proposed control method and the advantage on saving communication network constructions.
Hydropower peaking and stalled salmon migration are linked by altered reservoir hydraulics: A multidisciplinary synthesis and hypothesis
Authors: Coutant Charles C.
Published: April 2023

Adding variable renewable energy (solar, wind) in electricity portfolios will increase need for fast grid responses through hydropower peaking. Over 60 years of daily hydropeaking by four dams on the lower Snake River, United States of America provide an example of long‐term environmental impacts. Downstream‐migrating Chinook salmon (Oncorhynchus tshawytscha) subyearlings that normally transit the dammed river in summer slowed their migration into autumn with about one‐third of those delayed overwintering in the reservoirs. Specific cause for stalled migration is controversial, with options including evolution of a new migratory strain and action of environment on individual migrants. Analysis of archived dam data shows evidence of reservoir seiches (standing waves of waterbody oscillations) caused by within‐day hydropower peaking during the October–February period of stalled migration. Analyses of limnological literature identified typical water movements in seiches and analyses of biological literature identified typical effects on fish kinematics (shape, motion) of changing flows in a fish's immediate proximity. Process‐focused inference predicts anomalous fish‐migration behavior in seiche hydraulics, which matches fish‐tracking data obtained by others in Lower Monumental Reservoir. Fish tracks include upstream swimming (‘downstream’ in reverse seiche flows) and periods of disoriented movements typical of responses to repeatedly changing flows. This multi‐disciplinary, process‐focused synthesis yields a testable hypothesis that seiche‐flow hydraulics in the lower Snake River reservoirs from hydropower peaking contribute to known out‐migration delay and overwintering of late‐migrating fall Chinook salmon subyearlings. As hydropower peaking causes seiches in downstream reservoirs elsewhere in North America and Europe, migratory species elsewhere may be susceptible to similar migration delays with long‐term population effects.
Semiparametric detection of changepoints in location, scale, and copula
Authors: Agarwal Gaurav , Eckley Idris A. , Fearnhead Paul
Published: April 2023

This paper proposes a new method to detect changepoints in the location and scale of univariate data sequences. The proposed method assumes that the data belong to the location‐scale family of distributions and estimate the associated densities nonparametrically. Specifically, the approach does not require knowledge of the functional form of the distribution of the data sequence. As such, the approach can detect changepoints in many distributions. We also propose a new method to detect changes in the location of multivariate sequences, using the marginals and a copula to capture the dependence between variables without the influence of marginal distributions. The performance of the proposed semiparametric approach is contrasted against both other competing nonparametric and Gaussian methods, via simulation studies, as well as applications arising from health and finance.
Self‐Assembled Copper‐Based Nanoparticles for Glutathione Activated and Enzymatic Cascade‐Enhanced Ferroptosis and Immunotherapy in Cancer Treatment
Authors: Song Wen‐Fang , Zeng Jin‐Yue , Ji Ping , Han Zi‐Yi , Sun Yun‐Xia , Zhang Xian‐Zheng
Published: April 2023

As an emerging cancer treatment strategy, ferroptosis is greatly restricted by excessive glutathione (GSH) in tumor microenvironment (TME) and low reactive oxygen species (ROS) generation efficiency. Here, this work designs self‐assembled copper‐alanine nanoparticles (CACG) loaded with glucose oxidase (GOx) and cinnamaldehyde (Cin) for in situ glutathione activated and enzymatic cascade‐enhanced ferroptosis and immunotherapy. In response to GSH‐rich and acidic TME, CACG allows to effectively co‐deliver Cu2+, Cin, and GOx into tumors. Released Cin consumes GSH through Michael addition, accompanying with the reduction of Cu2+ into Cu+ for further GSH depletion. With the cascade of Cu+‐catalyzed Fenton reactions and enzyme‐catalyzed reactions by GOx, CACG could get rid of the restriction of insufficient hydrogen peroxide in TME, leading to a robust and constant generation of ROS. With the high efficiency of GSH depletion and ROS production, ferroptosis is significantly enhanced by CACG in vivo. Moreover, elevated oxidative stress triggers robust immune responses by promoting dendritic cells maturation and T cell infiltration. The in vivo results prove that CACG could efficiently inhibit tumor growth in 4T1 tumor‐bearing mouse model without causing obvious systemic toxicity, suggesting the great potential of CACG in enhancing ferroptosis and immunotherapy for effective cancer treatment.
Highly Efficient and Stable Perovskite Solar Cells: Competitive Crystallization Strategy and Synergistic Passivation
Authors: Jiao Boxin , Che Zhigang , Quan Ziwei , Wu Wenze , Hu Kun , Li Xiaoyi , Liu Fengzhen
Published: April 2023

Defects of perovskite (PVK) films are one of the main obstacles to achieving high‐performance perovskite solar cells (PSCs). Here, the authors fabricated highly efficient and stable PSCs by introducing prolinamide (ProA) into the PbI2 precursor solution, which improves the performance of PSCs by the competitive crystallization and efficient defect passivation of perovskite. The theoretical and experimental results indicate that ProA forms an adduct with PbI2, competes with free I− to coordinate with Pb2+, leads to the increase of the energy barrier of crystallization, and slows down the crystallization rate. Furthermore, the dual‐site synergistic passivation of ProA is revealed by density functional theory (DFT) calculations and experimental results. ProA effectively reduces non‐radiative recombination in the resultant films to improve the photovoltaic performance of PSCs. Notably, ProA‐assisted PSCs achieve 24.61% power conversion efficiency (PCE) for the champion device and the stability of PSCs devices under ambient and thermal environments is improved.
Internal Electric Field Induced by Superexchange Interaction on Mn4+‐O2−‐Ni2+ Unit Enables Highly Efficient Hybrid Capacitive Deionization
Authors: Wang Dewei , Fu Zhenzhen , Liu Xia , Yao Yebo , Ji Yingjie , Gao Xueying , Wang Jinrui , Hou Zishan , Li Yongjia , Yao Shuyun , Wang Shiyu , Xie Jiangzhou , Yang Zhiyu , Yan Yi‐Ming
Published: April 2023

Internal electric field (IEF) construction is an innovative strategy to regulate the electronic structure of electrode materials to promote charge transfer processes. Despite the wide use of IEF in various applications, the underlying mechanism of its formation in an asymmetric TM‐O‐TM unit still remains poorly understood. Herein, the essential principles for the IEF construction at electron occupancy state level and explore its effect on hybrid capacitive deionization (HCDI) performance is systematically investigated. By triggering a charge separation in Ni‐MnO2 via superexchange interactions in a coordination structure unit of Mn4+‐O2−‐Ni2+, the formation of an IEF that can enhance charge transfer during the HCDI process is demonstrated. Experimental and theoretical results confirm the electrons transfer from O 2p orbital to TM (Ni2+ and Mn4+) eg orbital via superexchange interactions in the basic Mn4+‐O2−‐Ni2+ coordination unit. As a result of the charge redistribution, the IEF endows Ni‐MnO2 with superior electron and ion transfer property. This work presents a unique material design strategy that activates the electrochemical performance, and provides insights into the formation mechanism of IEF in an asymmetric TM‐O‐TM unit, which has potential applications in the construction of other innovative materials.
Bioderived Ionic Liquids with Alkaline Metal Ions for Transient Ionics
Authors: Yamada Shunsuke
Published: April 2023

Choline lactate, an ionic liquid composed of bioderived materials, offers an opportunity to develop biodegradable electrochemical devices. Although ionic liquids possess large potential windows, high conductivity, and are nonvolatile, they do not exhibit electrochemical characteristics such as intercalation pseudocapacitance, redox pseudocapacitance, and electrochromism. Herein, bioderived ionic liquids are developed, including metal ions, Li, Na, and Ca, to yield ionic liquid with electrochemical behavior. Differential scanning calorimetry results reveal that the ionic liquids remained in liquid state from 230.42 to 373.15 K. The conductivities of the ionic liquids with metal are lower than those of the pristine ionic liquid, whereas the capacitance change negligibly. A protocol of the Organization for Economic Co‐operation and Development 301C modified MITI test (I) confirms that the pristine ionic liquid and ionic liquids with metal are readily biodegradable. Additionally, an ionic gel comprising the ionic liquid and poly(vinyl alcohol) is biodegradable. An electrochromic device is developed using an ionic liquid containing Li ions. The device successfully changes color at −2.5 V, demonstrating the intercalation of Li ions into the WO3 crystal. The results suggest that the electrochemically active ionic liquids have potential for the development of environmentally benign devices, sustainable electronics, and bioresorbable/implantable devices.
Sparse Matrix Ordering Algorithms
Authors: Scott Jennifer , Tůma Miroslav
Published: April 2023

So far, our focus has been on the theoretical and algorithmic principles involved in sparse Gaussian elimination-based factorizations. To limit the storage and the work involved in the computation of the factors and in their use during the solve phase it is generally necessary to reorder (permute) the matrix before the factorization commences. The complexity of the most critical steps in the factorization is highly dependent on the amount of fill-in, as can be seen from the following observation.
Network Creation During Agglomeration Processes of Polydisperse and Monodisperse Systems of Droplets
Authors: Schneider Johannes Josef , Faggian Alessia , Diaz Aitor Patiño , Li Jin , Holler Silvia , Casiraghi Federica , Sanahuja Lorena Cebolla , Matuttis Hans-Georg , Hanczyc Martin Michael , Barrow David Anthony , Weyland Mathias Sebastian , Flumini Dandolo , Eggenberger Hotz Peter , Dimitriou Pantelitsa , Jamieson William David , Castell Oliver , Eschle Patrik , Füchslin Rudolf Marcel
Published: April 2023

We simulate the movement and agglomeration of oil droplets in water under constraints, using a simplified stochastic-hydrodynamic model. We analyze both local and global properties of the networks formed by the agglomerations of droplets for various system sizes. We focus on the differences of these properties for monodisperse and polydisperse systems of droplets. For the mean degree, we obtain different values for critical exponents.
Artificial Chemistry Performed in an Agglomeration of Droplets with Restricted Molecule Transfer
Authors: Schneider Johannes Josef , Faggian Alessia , Jamieson William David , Weyland Mathias Sebastian , Li Jin , Castell Oliver , Matuttis Hans-Georg , Barrow David Anthony , Diaz Aitor Patiño , Sanahuja Lorena Cebolla , Holler Silvia , Casiraghi Federica , Hanczyc Martin Michael , Flumini Dandolo , Eggenberger Hotz Peter , Füchslin Rudolf Marcel
Published: April 2023

Within the scope of the European Horizon 2020 project ACDC – Artificial Cells with Distributed Cores to Decipher Protein Function, we aim at the development of a chemical compiler governing the three-dimensional arrangement of droplets, which are filled with various chemicals. Neighboring droplets form bilayers with pores which allow chemicals to move from one droplet to its neighbors. With an appropriate three-dimensional configuration of droplets, we can thus enable gradual biochemical reaction schemes for various purposes, e.g., for the production of macromolecules for pharmaceutical purposes. In this paper, we demonstrate with artificial chemistry simulations that the ACDC technology is excellently suitable to maximize the yield of desired reaction products or to minimize the relative output of unwanted side products.
Einleitung
Authors: Finzi Jan A.
Published: April 2023

Die Wohnungsfrage ist die soziale Frage unserer Zeit, konstatiert Horst Seehofer, Bundesminister des Inneren, für Bau und Heimat und CSU-Mitglied, bereits Anfang Mai 2018. Diese Relevanzzuschreibung von Wohnen ist politischer Konsens (Bündnis 90 Die Grünen – Bundestagsfraktion, 2020; SPD-Fraktionen in den Ländern, im Bund und im EU-Parlament, 2018) und auch im Jahr 2021 aktuell. Mangelnder bezahlbarer Wohnraum ist eine der Hauptursachen von Wohnungsnot und Wohnungslosigkeit.
Theoretischer Bezugsrahmen: Intersektionalität
Authors: Finzi Jan A.
Published: April 2023

Individuum und Gesellschaft beziehungsweise deren Beziehung zueinander sind die Bezugspunkte menschlicher Existenz. Die Beziehung zwischen Individuum und Gesellschaft ist für beide, also Individuum und Gesellschaft, konstituierend. Ohne Individuum keine Gesellschaft und ohne Gesellschaft kein Individuum.
Gesundheit als Kategorie im Kontext Wohnungsnot
Authors: Finzi Jan A.
Published: April 2023

Gesundheit ist neben Geschlecht die zweite Kategorie, die eine entscheidende Rolle für die Lebenslagen von Menschen in Wohnungsnot spielt. In besonderem Maße ist die Kategorie Gesundheit mit Stigmatisierungen verbunden, die ebenfalls erheblichen Einfluss auf die Lebenslagen von Menschen in Wohnungsnot nehmen. Im weiteren Verlauf des Kapitels erfolgt die dezidierte Darstellung der Bedeutung der Kategorie Gesundheit sowie die Begründung der Relevanz dieser Kategorie für Menschen in Wohnungsnot.