bluuebunny/crossref_metadata_2025 huggingface dataset:
Topochemical Postulates: Are They Relevant for Topochemical Reactions Occurring at Elevated Temperatures?
Authors: Ravi Arthi , Hassan Syed Zahid , Bhandary Subhrajyoti , Sureshan Kana M.
Published: March 2022

A rigid inositol‐derived monomer functionalized with azide and alkyne as the complementary reactive groups (CRGs) crystallized as three distinct polymorphsI–III. Despite the unsuitable orientation of CRGs in the crystals for complete polymerization, all the three polymorphs underwent regiospecific and quantitative topochemical azide–alkyne cycloaddition (TAAC) polymerization upon heating to yield three different polymorphs of 1,2,3‐triazol‐1,4‐diyl‐linked‐poly‐neo‐inositol. The molecules in these polymorphs exploit the weak intermolecular interactions, free space in the crystal lattice, and heat energy for their large and cooperative molecular motion to attain a transient reactive orientation, ultimately leading to the regiospecific TAAC reaction yielding distinct crystalline polymers. This study cautions that the overreliance on topochemical postulates for the prediction of topochemical reactivity at high temperatures could be misleading.
Characterization of cultivable intestinal microbiota in Rhynchophorus palmarum Linnaeus (Coleoptera: Curculionidae) and determination of its cellulolytic activity
Authors: Calumby Rodrigo J. N. , de Almeida Lara M. , de Barros Yasmin N. , Segura Wilson D. , Barbosa Valcilaine T. , da Silva Antonio T. , Dornelas Camila B. , Alvino Valter , Grillo Luciano A. M.
Published: March 2022

Rhynchophorus palmarum Linnaeus is an agricultural pest that affects various palm crops, including coconut (Cocos nucifera) plantations which are prominent in the economy of Northeastern Brazil. Characterization of the intestinal microbiota of R. palmarum, as well as elucidation of aspects related to the biochemistry and physiology of the insect's digestion, is essential for intervention in specific metabolic processes as a form of pest control. Thus, this study aimed to characterize the intestinal microbiota of R. palmarum and investigate its ability to degrade cellulosic substrates, to explore new biological control measures. Intestinal dissection of eight adult R. palmarum insects was performed in a laminar flow chamber, and the intestines were homogenized in sterile phosphate‐buffered saline solution. Subsequently, serial dilution aliquots of these solutions were spread on nutritive agar plates for the isolation of bacteria and fungi. The microorganisms were identified by matrix‐assisted laser desorption/ionization with a time‐of‐flight mass spectrometry and evaluated for their ability to degrade cellulose. Fourteen bacterial genera (Acinetobacter, Alcaligenes, Arthrobacter, Bacillus, Citrobacter, Enterococcus, Kerstersia, Lactococcus, Micrococcus, Proteus, Providencia, Pseudomonas, Serratia, and Staphylococcus) and two fungal genera (Candida and Saccharomyces)—assigned to the Firmicutes, Actinobacteria, Proteobacteria, and Ascomycota phyla—were identified. The cellulolytic activity was exhibited by six bacterial and one fungal species; of these, Bacillus cereus demonstrated the highest enzyme synthesis (enzymatic index = 4.6). This is the first study characterizing the R. palmarum intestinal microbiota, opening new perspectives for the development of strategies for the biological control of this insect.
Promoting Dry Reforming of Methane Catalysed by Atomically‐Dispersed Ni over Ceria‐Upgraded Boron Nitride
Authors: Li Xiaoxu , Phornphimon Maitarad , Zhang Xiaoyu , Deng Jiang , Zhang Dengsong
Published: March 2022

Dry reforming of methane (DRM) is a very promising protocol to mitigate the greenhouse gases by making use of CO2and CH4to produce valuable syngas. Ni‐based catalysts exhibit high activity and low cost for DRM, but suffer from inferior stability because of serious carbon deposition. Herein, we proposed atomically dispersed Ni supported by ceria‐upgraded boron nitride whose specific activity exceeds that of boron nitride‐supported Ni by 3 times. The results of temperature‐programmed surface reaction show ceria enhanced the adsorption of CO2and its surface‐active oxygen species would contribute to the activation of CH4. Moreover, Ni exhibited a strong metal‐support interaction which suppressed the metal sintering during the DRM reaction while the incorporation of BN could suppress carbon deposition. The incorporation of active metal oxides into inert support provides a route to adjust the interaction between metal and support, and to achieve a synergistic improvement in catalytic performance.
Carving the Active Site of CYP153A7 Monooxygenase for Improving Terminal Hydroxylation of Medium‐Chain Fatty Acids
Authors: Dong Ya‐Li , Chong Gang‐Gang , Li Chun‐Xiu , Chen Qi , Pan Jiang , Li Ai‐Tao , Xu Jian‐He
Published: March 2022

The P450‐mediated terminal hydroxylation of non‐activated C−H bonds is a chemically challenging reaction. CYP153A7 monooxygenase, discovered in Sphingomonas sp. HXN200, belongs to the CYP153A subfamily and shows a pronounced terminal selectivity. Herein, we report the significantly improved terminal hydroxylation activity of CYP153A7 by redesign of the substrate binding pocket based on molecular docking of CYP153A7−C8:0 and sequence alignments. Some of the resultant single mutants were advantageous over the wild‐type enzyme with higher reaction rates, achieving a complete conversion of n‐octanoic acid (C8:0, 1 mM) in a shorter time period. Especially, a single‐mutation variant, D258E, showed 3.8‐fold higher catalytic efficiency than the wild type toward the terminal hydroxylation of medium‐chain fatty acid C8:0 to the high value‐added product 8‐hydroxyoctanoic acid.
The duration of beta‐blocker therapy and outcomes in patients without heart failure or left ventricular systolic dysfunction after acute myocardial infarction: A multicenter prospective cohort study
Authors: Wen Xue‐Song , Luo Rui , Liu Jie , Liu Zhi‐Qiang , Zhang Han‐Wen , Hu Wei‐Wei , Duan Qin , Qin Shu , Xiao Jun , Zhang Dong‐Ying
Published: March 2022

Background

The duration of beta‐blocker therapy in patients without heart failure (HF) or left ventricular systolic dysfunction after acute myocardial infarction (AMI) is unclear.

Hypothesis

Continuous beta‐blocker therapy is associated with an improved prognosis.

Methods

This is a prospective, multicenter, cohort study. One thousand four hundred and eighty‐three patients eventually met the inclusion criteria. The study groups included the continuous beta‐blocker therapy group (lasted ≥6 months) and the discontinuous beta‐blocker therapy group (consisting of the no‐beta‐blocker therapy group and the beta‐blocker therapy <6 months group). The inverse probability treatment weighting was used to control confounding factors. The study tried to learn the role of continuous beta‐blocker therapy on outcomes. The median duration of follow‐up was 13.0 months. The primary outcomes were cardiac death and major adverse cardiovascular events (MACE). The secondary outcomes were all‐cause death, stroke, unstable angina, rehospitalization for HF, and recurrent myocardial infarction (MI).

Results

Compared with discontinuous beta‐blocker therapy, continuous beta‐blocker therapy was associated with a reduced risk of unstable angina, recurrent MI, and MACE (hazard ratio [HR]: 0.51; 95% CI: 0.32–0.82; p = 0.006); but this association was not available for cardiac death (HR: 0.57; 95% CI: 0.24–1.36; p = 0.206). When compared to the subgroups of no‐beta‐blocker therapy and beta‐blocker therapy <6 months, respectively, continuous beta‐blocker therapy was still observed to be associated with a reduced risk of unstable angina, recurrent MI, and MACE.

Conclusions

Continuous beta‐blocker therapy was associated with a reduced risk of unstable angina or recurrent MI or MACE in patients without HF or left ventricular systolic dysfunction after AMI.
Label‐Free Sensing of Cysteine through Cadmium Ion Coordination: Smartphone‐Based Electrochemical Detection
Authors: Liu Guang , Li Yaru , Lu Yanli , Jia Yixuan , Shan Jianzhen , Liu Qingjun
Published: March 2022

The detection of biologically important compounds such as cysteine remains a challenge for monitoring body metabolism. This work proposes a transition metal ion coordination‐based label‐free cysteine sensor with smartphone‐based square wave voltammetry sensing system for the point‐of‐care testing (POCT). In the sensing system, potential excitation and current measurements were accomplished by a miniaturized and integrated circuit board with a smartphone to wirelessly control the system via Bluetooth. The electrochemical currents changed with the cysteine concentrations ranging from 0 μM to 200 μM with a linearity correlation coefficient of 0.9915. The limit of detection was as low as 0.0149 μM for cysteine. The smartphone‐based system provides an effective strategy for cysteine detection, and it can also serve as a promising portable sensing platform for the analysis of other small molecules.
Comparative pharmacodynamic and pharmacokinetic study of MIDD0301 and its (S) enantiomer
Authors: Rashid Roni M. S. , Zahn Nicolas M. , Yocum Gene T. , Webb Daniel A. , Mian Md Yeunus , Meyer Michelle J. , Tylek Anika S. , Cook James M. , Emala Charles W. , Stafford Douglas C. , Arnold Leggy A.
Published: March 2022

MIDD0301 is being developed as an oral drug to relax airway smooth muscle (ASM) and reduce lung inflammation in asthma. We report a comparative study of MIDD0301 and its S isomer (MIDD0301S), and found that the compounds have equivalent affinity for γ‐aminobutyric acid type A receptor (GABAAR) expressed in rat brain, with half maximal inhibitory concentration values of 25.1 and 26.3 nM for the S and R enantiomers, respectively. Both compounds relaxed substance P contracted ASM within 30 min and neither enantiomer revealed affinity to 48 receptors in an off‐target screen. Both enantiomers reduced airway hyperresponsiveness (AHR) with nebulized and oral dosing in two mouse models of bronchoconstriction. In A/J mice, which are very sensitive to methacholine‐induced bronchoconstriction, we observed reduction of AHR at 10.8 mg/kg MIDD0301 and 15 mg/kg MIDD0301S. Using oral administration, 100 mg/kg/day for 3 days of either enantiomer was sufficient to reduce AHR. In a model of severe airway inflammation induced by interferon‐γ and lipopolysaccharide (LPS), we observed reduction of AHR at 7.2 mg/kg for both enantiomers using nebulized administration, and at 100 mg/kg for oral administration. MIDD0301 and MIDD0301S did not undergo Phase I metabolism. Glucuronidation was observed for both compounds, whereas only MIDD0301 formed the corresponding glucoside in the presence of kidney microsomes. Pharmacokinetic analysis identified glucuronides as the major metabolite with concentrations up to 20‐fold more than the parent compound. MIDD0301 glucuronide and MIDD0301 taurine bind GABAARs, although 10‐fold weaker than MIDD0301. In mouse blood, the taurine adduct was only observed for MIDD0301. Overall, both compounds exhibited similar receptor binding and pharmacodynamic properties with subtle differences in metabolism and greater oral availability and blood concentrations of MIDD0301S.
Woody plant encroachment of grassland and the reversibility of shrub dominance: Erosion, fire, and feedback processes
Authors: Li Junran , Ravi Sujith , Wang Guan , Van Pelt R. Scott , Gill Thomas E. , Sankey Joel B.
Published: March 2022

Many grass‐dominated ecosystems in dryland regions have experienced increasing woody plant density and abundance during the past century. In many cases, this process has led to land degradation and declines in ecosystem functions. An example is the Chihuahuan Desert in the southwestern United States, which experienced different stages of shrub encroachment in the past 150 years. Among a wide variety of mechanisms to explain the grass–shrub transitions in this dryland system, soil erosion (both wind and water) and fire are particularly well studied. Here, we synthesize recent developments on the drivers and feedback in the process of shrub encroachment in the Chihuahuan Desert through the intercomparison of two Long Term Ecological Research (LTER) sites, namely Jornada and Sevilleta. Experimental and modeling studies support a conceptual framework, which underscores the important roles of erosion and fire in woody plant encroachment. Collectively, research at the Jornada LTER provided complementary, quantitative support to the well‐known fertile‐islands framework. Studies at the Sevilleta LTER expanded the framework, adding fire as a major disturbance to woody plants. Conceptual models derived from the synthesis represent the general understanding of shrub encroachment that emerged from research at these two sites, and can guide management interventions aimed at reducing or mitigating undesirable ecosystem state change in many other drylands worldwide.
Facilitation differentially affects competitive responses of aspen and subalpine fir through stages of stand development
Authors: Lee Molinari Rebecca , Bekker Matthew F. , St. Clair Benjamin D. , Bartholomew Jason , DeRose R. Justin , Kitchen Stanley G. , St. Clair Samuel B.
Published: March 2022

Spatial interactions between trees influence forest community succession. The objective of this study was to investigate how shifts in forest composition and proximity between tree species affect stand development over time in mixed forest systems. At six locations across the Fishlake National Forest, Utah, USA, in stands where facilitation has been documented previously, tree‐ring samples were collected from aspen and subalpine fir trees. Basal area increment was calculated to characterize the effects of the proximity of overstory trees on multidecadal growth responses of aspen and subalpine fir in aspen‐dominant and mixed aspen–conifer stands. Subalpine fir seedlings were established next to aspen (within 10 cm) when aspen was between 15 and 120 years old with a mean age of 60 years. Aspen and subalpine fir growth rates were reduced with increasing conifer abundance. Aspen trees growing next to a proximate subalpine fir tree had slower growth rates over time than aspen trees growing independently. Growth rates of subalpine fir in aspen‐dominated stands were similar when growing independently or near aspen trees. However, subalpine fir in conifer‐dominated stands maintained higher growth rates when growing next to an aspen tree than when growing independently. The data suggest that as stand competition increases with conifer abundance, the proximity of overstory trees increases competitive exclusion of aspen while having a beneficial growth effect on subalpine fir. These results underscore the importance of maintaining natural fire regimes in forest systems that keep competitive interactions in balance.
Numerical prediction on arc characteristics for various polymer materials during polymer‐ablated arc ignition process
Authors: Nakano Yusuke , Tanaka Yasunori , Ishijima Tatsuo , Nagai Daiki , Inenaga Kentaro
Published: March 2022

Characteristics of ignition process of polymer‐ablated arc with different current values were investigated with electromagnetic thermofluid analysis. This thermofluid simulation is based on calculated particle composition, thermodynamic and transport properties of evaporated vapor of polymer material and electrode material. Polymer ablation was assumed to occur by heat flux from the arc plasma. The initiation of polymer ablation was studied for different polymer materials because polymer ablation can affect arc behavior and then arc interruption ability. Results showed that it took time of milli‐ to tens milliseconds to initiate polymer ablation, and that its initiation time decreases with increasing current.
Application of machine learning for advanced material prediction and design
Authors: Chan Cheuk Hei , Sun Mingzi , Huang Bolong
Published: March 2022

In material science, traditional experimental and computational approaches require investing enormous time and resources, and the experimental conditions limit the experiments. Sometimes, traditional approaches may not yield satisfactory results for the desired purpose. Therefore, it is essential to develop a new approach to accelerate experimental progress and avoid unnecessary wasting of time and resources. As a data‐driven method, machine learning provides reliable and accurate performance to solve problems in material science. This review first outlines the fundamental information of machine learning. It continues with the research concerning the prediction of various properties of materials by machine learning. Then it discusses the methods for the discovery of new materials and the prediction of their structural information. Finally, we summarize other applications of machine learning in material science. This review will be beneficial for future application of machine learning in more material science research.

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A comprehensive review on impacts of COVID‐19 in food preservation and cold chain: An approach towards implementing green energy technologies
Authors: Edwin M. , Nair M. Saranya , Sekhar S. Joseph
Published: March 2022

Technology plays a crucial role in fighting COVID‐19 pandemic. The COVID‐19 pandemic impacts all facets of human life, including food preservation and supply chain. The changes in the food processing and preservation brings changes to the global food choice. In the age of the COVID‐19 pandemic scare, the present article explores the framework for food security. It offers insights into food security with a focus on renewable energy to help rural farmers, besides, exploring the possibility of the diffusion of COVID‐19 via food chain. This article indicates that the implementation of stand‐alone and hybrid renewable energy systems is relatively fresh in food processing, preservation, and transportation chain. Green food preservation may be a revolutionary idea to address the challenges of the future to secure both producers and customers, besides, to improve the attractiveness of the ecological, economic, and creative sectors. This study reveals that the transformation can be achieved from a technological and economic point of view with the key steps to fulfill this goal in a cost‐effective manner. The observation also shows a suitable methodology to identify the best energy, economic and environmental scenario towards fulfilling the energy needs in isolated areas.
Crustal architecture of North Singhbhum Mobile Belt, Eastern Indian Shield: Constraints from two‐dimensional and three‐dimensional modelling of Bouguer gravity and aeromagnetic data
Authors: Arasada Rama Chandrudu , Srinivasa Rao Gangumalla , Anand Rajagopal
Published: March 2022

The North Singhbhum Mobile Belt (NSMB) that lies in the Eastern Indian Shield between the Chotanagpur Granite‐Gneiss Complex (CGGC) and the Singhbhum Craton (SC) provides a unique opportunity to understand the Proterozoic crustal evolution of the Indian shield. In the present study, an integrated interpretation of petrophysical, Bouguer gravity, and aeromagnetic data was carried out to examine the crustal architecture and structural framework of the region. Three‐dimensional (3‐D) inversion of the aeromagnetic anomalies reveals that the magnetic basement depths range from 0.2 to 9.0 km in the region. The crustal models obtained from two‐dimensional (2‐D) and 3‐D forward modelling of potential field data reveal the Moho at 37–38 km depth beneath the NSMB and at a relatively deeper depth of 39–40 km and 40–44 km beneath SC and CGGC, respectively. Further, the distinct gravity high and the coinciding bipolar magnetic anomalies associated with the Dalma Formation can be attributed to the mafic/ultramafic intrusions. Gravity models across the Singhbhum Shear Zone (SSZ) and South Purulia Shear Zone (SPSZ) exhibit the crustal density inhomogeneity and Moho offset, typical of ancient suture zones of Precambrian terrains. In comparison, the absence of such crustal‐scale signatures across the North Purulia Shear Zone represents its intracratonic nature. Further, the Bouguer gravity and aeromagnetic signatures across the SPSZ, together with the crustal architecture and metamorphic ages, suggest that SPSZ marks the eastward continuity of the Gavilgarh‐Tan Shear Zone along which the amalgamation of northern and southern Indian cratonic blocks possibly took place at ca. 1.0–0.9 Ga.
Comparative validity of informant tools for assessing pre‐stroke cognitive impairment
Authors: Taylor‐Rowan Martin , McGuire Lucy , Hafdi Melanie , Evans Jonathan , Stott David J. , Wetherall Kirsty , Elliott Emma , Drozdowska Bogna , Quinn Terence J.
Published: March 2022

Objectives

Various informant‐based questionnaires are used in clinical practice to screen for pre‐stroke cognitive problems. However, there is no guidance on which tool should be preferred. We compared the validity of the two most commonly used informant‐based tools.

Methods

We recruited consecutively admitted stroke patients. Patients' informants completed the Informant Questionnaire for Cognitive Decline in the Elderly Short Form (IQCODE‐SF, 16‐item) and Ascertain Dementia 8 (AD8). We assessed construct validity (accuracy) against a semi‐structured clinical interview for dementia or mild cognitive impairment (MCI), describing test accuracy metrics and comparing area under ROC curves (AUROC). We described criterion validity by evaluating associations between test scores and neuroimaging markers of dementia and overall ‘brain frailty’. Finally, we described prognostic validity comparing ROC curves for 18‐month clinical outcomes of dementia, death, stroke, and disability.

Results

One‐hundred‐thirty‐seven patient‐informant dyads were recruited. At usual clinical cut‐points, the IQCODE‐SF had comparable sensitivity to the AD8 (both = 92%) for pre‐stroke dementia, but superior specificity (IQCODE‐SF: 82% vs. AD8: 58%). Youden index suggested that the optimal AD8 threshold for diagnosis of dementia is ≥4. The IQCODE‐SF demonstrated stronger associations with markers of generalised and medial‐temporal lobe atrophy, neurovascular disease, and overall brain frailty. IQCODE‐SF also demonstrated greater accuracy for predicting future dementia (IQCODE‐SF AUROC = 0.903, 95% CI = 0.798–1.00; AD8 AUROC = 0.821, 95% CI = 0.664–0.977).

Conclusions

Both IQCODE‐SF and AD8 are valid measures of pre‐stroke dementia. Higher cut points for AD8 may improve performance in the acute stroke setting. Based on consistent superiority across a range of validity analyses, IQCODE‐SF may be preferable to AD8 for pre‐stroke dementia screening.
Coping strategies for memory problems in everyday life of people with cognitive impairment and older adults: A systematic review
Authors: Ross Sabrina D. , Hofbauer Lena M. , Rodriguez Francisca S.
Published: March 2022

Objectives

Dealing with memory loss is a major challenge for older people. Coping strategies for memory problems could enable cognitively impaired people to live independently for longer. We conducted a systematic review to summarize evidence on coping strategies for older people and people with cognitive impairment to stabilize everyday life functioning.

Methods

We systematically searched the databases PubMed, PsychInfo, Scopus and WebofScience using a well‐defined search string. Studies were included if they were published between January 1990 and February 2021 and written in English, German, Spanish, French, or Swedish language. Two blind researchers independently checked the studies for inclusion and exclusion criteria and evaluated the quality of the studies using Critical Appraisal Skills Programme—checklists. Evidence was summarized in a narrative synthesis.

Results

A total of 16 relevant studies with adequate quality were identified. These studies reported on three categories of strategies: external, internal, and behavioral coping strategies. External strategies included reminder systems and integrated features in the environment and were used by people with and without cognitive impairments. Internal strategies such as visualization, verbalization, active remembering, and systematic thinking were reported less often by people with cognitive impairment than those without cognitive impairment. Behavioral strategies such as reducing expectations and acceptance of support was most frequently reported by people with cognitive impairment.

Conclusions

The findings of our systematic review show a great number of coping strategies, which seem to depend on cognitive status. Appropriate training tools incorporating these strategies should be developed.
Provincial variations in not having a regular medical doctor and having unmet healthcare needs among Canadians
Authors: Islam Md Kamrul , Kellett Peter
Published: March 2022

Background

Despite spending 11.0% of the total gross domestic product, the quality of healthcare services in Canada has received mixed reviews. We first separately examined provincial variations in not having a regular medical doctor and having unmet healthcare needs among Canadians. Second, we evaluated provincial variations in the impact of not having a regular medical doctor on having unmet healthcare needs among Canadians.

Methods

We applied logistic regressions using data from the 2014 and 2017–2018 Canadian Community Health Surveys (CCHS). The total sample size for this study was 120,345 individuals aged 12 years and older: 61,240 from the 2014 CCHS and 59,105 from the 2017–2018 CCHS.

Results

We found significant provincial variations in not having a regular medical doctor and having unmet healthcare needs among Canadians. People in Quebec and the Territories were more likely not to have a regular medical doctor than their peers in Alberta. People in Quebec and the Territories were also more likely to have unmet healthcare needs than their counterparts in Alberta. Not having a regular medical doctor impacted whether Canadians reported having unmet healthcare needs to varying degrees across provinces.

Conclusion

Findings from this study may contribute to designing province‐specific policy interventions and inform efforts that seek to address barriers to having a regular medical doctor and reducing unmet healthcare needs among Canadians.
Effect of conservative treatment of pelvic floor dysfunctions in women: An umbrella review
Authors: Bascur‐Castillo Carolina , Carrasco‐Portiño Mercedes , Valenzuela‐Peters Romina , Orellana‐Gaete Luna , Viveros‐Allende Vicente , Ruiz Cantero María Teresa
Published: March 2022

Objective

Due to their high worldwide prevalence, pelvic floor dysfunctions (PFD's) are a public health problem. There is high heterogeneity in the types and effectiveness of conservative treatment. The objective was to analyze the scientific evidence on conservative treatment of PFDs in women.

Methods

Umbrella review, covering MEDLINE (1950–2019), Scopus (1960–2019), Web of Science (1980–2019), and Cochrane Library (2000–2019). Inclusion criterion: review on conservative treatments about pelvic floor disorders in the adult women, in Spanish or English; exclusion criterion: studies about other urological, gynecological, and coloproctological pathologies, among others.

Results

Thirty‐two reviews (2000–2019) and 12 meta‐analyses were included. 53.1% showed an improvement on urinary incontinence. Pelvic floor muscle training worked on 70.6% of them, followed by electrical stimulation and estrogen (11.7%), and weight loss (5.9%). 6.3% of reviews and meta‐analyses fulfilled all items in PRISMA, and 93.7% of them fulfilled more than 60% of the checklist. 60% de los ítems.

Conclusions

PFMT and weight loss are the most effective treatments for UI, but there is no evidence for other PFDs. The methodological quality of conservative treatments must be improved for a more effective treatment of PFDs in women. Pelvic floor muscle training and weight loss are the most effective treatments for urinary incontinence. Only 6.3% of the reviews fulfilled all PRISMA ítems.
Novel hybrid isoindole‐1,3(2H)‐dione compounds containing a 1H‐tetrazole moiety: Synthesis, biological evaluation, and molecular docking studies
Authors: Tan Ayse , Kizilkaya Serap , Noma Samir A. A. , Ates Burhan , Kara Yunus
Published: March 2022

In this study, novel hybrid isoindole‐1,3(2H)‐dione compounds (10 and 11) carrying a 1H‐tetrazole moiety were synthesized, characterized and their inhibitory properties against xanthine oxidase (XO) and carbonic anhydrase isoenzymes (hCA I and hCA II) were investigated. Allopurinol for XO and acetazolamide for carbonic anhydrase isoenzymes were used as positive standards in inhibition studies. In addition, compounds 8 and 9, which were obtained in the intermediate step, were also investigated for their inhibition effects against the three enzymes. According to the enzyme inhibition results, hybrid isoindole‐1,3(2H)‐dione derivatives 10 and 11 showed significant inhibitory effects against all three enzymes. Surprisingly, compound 8, containing a SCN functional group, exhibited a greater inhibitory effect than the other compounds against hCA I and hCA II. The IC50 values of compound 8 against hCA I and hCA II were found to be 3.698 ± 0.079 and 3.147 ± 0.083 µM, respectively. Compound 8 (IC50 = 4.261 ± 0.034 μM) showed higher activity than allopurinol (IC50 = 4.678 ± 0.029 μM) and the other compounds against XO, as well. These results clearly show the effect of the SCN group on the inhibition. In addition, in silico molecular docking studies were performed to understand the molecular interactions between each compound and enzymes, and the results were evaluated.
Toward a better understanding of the experience of patients with moderate penetrance breast cancer gene pathogenic/likely pathogenic variants: A focus on ATM and CHEK2
Authors: McCormick Shelley , Hicks Stephanie , Wooters Mackenzie , Grant Carly
Published: March 2022

This study explored the experiences of patients with pathogenic or likely pathogenic variants in the moderate penetrance breast cancer genes, ATM and CHEK2. There were 139 eligible female patients who received genetic counseling at the Massachusetts General Hospital Center for Cancer Risk Assessment (MGH CCRA) from 2014 to 2018. They were sent surveys assessing their understanding of the clinical significance of their genetic test results, adherence to medical management recommendations, dissemination of genetic test results to relatives, and informational resource needs. In total, 66 surveys were returned with a response rate of 47.5%. Most participants reported understanding the clinical implications of their genetic test results and adhering to medical management recommendations. Although 20.3% found it upsetting, nearly all participants shared their genetic test results with relatives. When asked about resource needs, 54.5% reported seeking out additional resources. Our ATM/CHEK2 sample appears to have a good understanding of the personal and familial implications of their genetic test results but may benefit from additional resources. It is unclear whether similar results would be found in patients who do not receive genetic counseling from a board‐certified genetic counselor, and this should be examined. This study is one of the first to assess the experiences and needs of the moderate risk population.
Analysis of mitochondrial DNA cytochrome‐b (CYB) and ATPase‐6 gene mutations in COVID‐19 patients
Authors: Dirican Ebubekir , Savrun Şeyda Tuba , Aydın İsmail Erkan , Gülbay Gonca , Karaman Ülkü
Published: March 2022

Coronavirus disease of 2019 (COVID‐19) is a pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2). Mutations of mitochondrial DNA (mtDNA) are becoming increasingly common in various diseases. This study aims to investigate mutations in the cytochrome‐b (CYB) and adenosine triphosphatase‐6 (ATPase‐6) genes of mtDNA in COVID‐19 patients. The association between mtDNA mutations and clinical outcomes is investigated here. In the present study, mutations of the mtDNA genes CYB and ATPase‐6 were investigated in COVID‐19 (+) (n = 65) and COVID‐19 (−) patients (n = 65). First, we isolated DNA from the blood samples. After the PCR analyses, the mutations were defined using Sanger DNA sequencing. The age, creatinine, ferritin, and CRP levels of the COVID 19 (+) patients were higher than those of the COVID‐19 (−) patients (p = 0.0036, p = 0.0383, p = 0.0305, p < 0.0001, respectively). We also found 16 different mutations in the CYB gene and 14 different mutations in the ATPase‐6 gene. The incidences of CYB gene mutations A15326G, T15454C, and C15452A were higher in COVID‐19 (+) patients than COVID‐19 (−) patients; p < 0.0001: OR (95% CI): 4.966 (2.215−10.89), p = 0.0226, and p = 0.0226, respectively. In contrast, the incidences of A8860G and G9055A ATPase‐6 gene mutations were higher in COVID‐19 (+) patients than COVID‐19 (−) patients; p < 0.0001: OR (95%CI): 5.333 (2.359−12.16) and p = 0.0121 respectively. Yet, no significant relationship was found between mtDNA mutations and patients' age and biochemical parameters (p > 0.05). The results showed that the frequency of mtDNA mutations in COVID‐19 patients is quite high and it is important to investigate the association of these mutations with other genetic mechanisms in larger patient populations.
Respect, justice and learning are limited when patients are deidentified data subjects
Authors: Gross Marielle S. , Hood Amelia J. , Rubin Joshua C. , Miller Robert C.
Published: March 2022

Introduction

Critical for advancing a Learning Health System (LHS) in the U.S., a regulatory safe harbor for deidentified data reduces barriers to learning from care at scale while minimizing privacy risks. We examine deidentified data policy as a mechanism for synthesizing the ethical obligations underlying clinical care and human subjects research for an LHS which conceptually and practically integrates care and research, blurring the roles of patient and subject.

Methods

First, we discuss respect for persons vis‐a‐vis the systemic secondary use of data and tissue collected in the fiduciary context of clinical care. We argue that, without traditional informed consent or duty to benefit the individual, deidentification may allow secondary use to supersede the primary purpose of care. Next, we consider the effectiveness of deidentification for minimizing harms via privacy protection and maximizing benefits via promoting learning and translational care. We find that deidentification is unable to fully protect privacy given the vastness of health data and current technology, yet it imposes limitations to learning and barriers for efficient translation. After that, we evaluate the impact of deidentification on distributive justice within an LHS ethical framework in which patients are obligated to contribute to learning and the system has a duty to translate knowledge into better care. Such a system may permit exacerbation of health disparities as it accelerates learning without mechanisms to ensure that individuals' contributions and benefits are fair and balanced.

Results

We find that, despite its established advantages, system‐wide use of deidentification may be suboptimal for signaling respect, protecting privacy or promoting learning, and satisfying requirements of justice for patients and subjects.

Conclusions

Finally, we highlight ethical, socioeconomic, technological and legal challenges and next steps, including a critical appreciation for novel approaches to realize an LHS that maximizes efficient, effective learning and just translation without the compromises of deidentification.
Plasma Oscillation Behavior and Electromagnetic Interference Shielding of Carbon Nanofibers/Conductive Polymer Metacomposites at Radarwave Frequency
Authors: Chen Jiali , Shi Yunan , Pan Kaichao , Du Jiang , Qiu Jun
Published: March 2022

Metacomposites have attracted widespread attention due to their unique negative electromagnetic properties and stupendous applications. Although there are systems that realize metamaterial properties in low radio frequency bands, the research on the construction of polymer matrix metacomposites with negative performance in the pivotal GHz band is still undiscovered. Herein, carbon nanofiber/conductive polymer metacomposites with 3D overlapping network structures are innovatively constructed to achieve negative permittivity characteristics in the radarwave frequency range, and convenient methods for further adjusting the electromagnetic parameters is also proposed. The results show that the negative permittivity of CNFs/PANI metacomposites can be conveniently altered via adjusting PANI content. Furthermore, electromagnetic shielding has also been fully discussed as one of the most valuable applications of the metacomposites. The SET of CNFs/PANI‐70 has an average value of 70 dB at 4–18 GHz and can reach a maximum of 80 dB at 4 GHz, which far exceeds the current commercial electromagnetic shielding standards. This work greatly broadens the promising application of metacomposites for perfect electromagnetic shielding, novel capacitance, and frequency selective surfaces.
Percolation in Polydisperse Polymer Systems: A Computer Simulation Study
Authors: Agajew Oliwia , Sikorski Andrzej
Published: March 2022

The structure of polymer chains at interfaces still is not fully understood. A coarse‐grained lattice model is used to study the structure of macromolecules strongly adsorbed on a flat surface. As a result, the polymers are strictly two‐dimensional. Chains are flexible and athermal. A dynamic Monte Carlo algorithm consisting of local and non‐local modification of chains’ conformations is employed. The scaling behavior of chains’ size is found to be similar to monodisperse systems. It is also shown that the introduction of polydispersity increases values of the percolation threshold, especially for longer chains. The influence of the type of polydispersity on the percolation threshold in two‐dimensional polymer films is found to be significant.
Asymptotic mean‐square boundedness of the numerical solutions for stochastic complex‐valued neural networks with jumps
Authors: Li Qiang , Dong Yiping , Wang Lan , Cao Jinde
Published: March 2022

The paper devoted to asymptotic mean‐square boundedness of several numerical methods for stochastic complex‐valued neural networks with Poisson jumps. The definition of asymptotic mean‐square boundedness of the numerical solution is presented, and some sufficient conditions for the underlying systems which are asymptotic mean‐square boundedness are derived. By taking the advantage of the compensated split‐step backward Euler (CSSBE) method and compensated backward Euler (CBE) method, sufficient criteria promising the asymptotic mean‐square boundedness of CVNNs without any restriction on time stepsize, while the split‐step backward Euler (SSBE) method and backward Euler (BE) method can derive asymptotic mean‐square boundedness under a time stepsize constraint. The obtained theoretical results show that the compensated numerical methods own an incredible advantage over the noncompensated numerical methods on the part of asymptotic mean‐square boundedness. Finally, an example is proposed and analyzed to demonstrate the effectiveness and feasibility of the proposed results.
A radiomics‐boosted deep‐learning model for COVID‐19 and non‐COVID‐19 pneumonia classification using chest x‐ray images
Authors: Hu Zongsheng , Yang Zhenyu , Lafata Kyle J. , Yin Fang‐Fang , Wang Chunhao
Published: March 2022

Purpose

To develop a deep learning model design that integrates radiomics analysis for enhanced performance of COVID‐19 and non‐COVID‐19 pneumonia detection using chest x‐ray images.

Methods

As a novel radiomics approach, a 2D sliding kernel was implemented to map the impulse response of radiomic features throughout the entire chest x‐ray image; thus, each feature is rendered as a 2D map in the same dimension as the x‐ray image. Based on each of the three investigated deep neural network architectures, including VGG‐16, VGG‐19, and DenseNet‐121, a pilot model was trained using x‐ray images only. Subsequently, two radiomic feature maps (RFMs) were selected based on cross‐correlation analysis in reference to the pilot model saliency map results. The radiomics‐boosted model was then trained based on the same deep neural network architecture using x‐ray images plus the selected RFMs as input.

The proposed radiomics‐boosted design was developed using 812 chest x‐ray images with 262/288/262 COVID‐19/non‐COVID‐19 pneumonia/healthy cases, and 649/163 cases were assigned as training‐validation/independent test sets. For each model, 50 runs were trained with random assignments of training/validation cases following the 7:1 ratio in the training‐validation set. Sensitivity, specificity, accuracy, and ROC curves together with area‐under‐the‐curve (AUC) from all three deep neural network architectures were evaluated.

Results

After radiomics‐boosted implementation, all three investigated deep neural network architectures demonstrated improved sensitivity, specificity, accuracy, and ROC AUC results in COVID‐19 and healthy individual classifications. VGG‐16 showed the largest improvement in COVID‐19 classification ROC (AUC from 0.963 to 0.993), and DenseNet‐121 showed the largest improvement in healthy individual classification ROC (AUC from 0.962 to 0.989). The reduced variations suggested improved robustness of the model to data partition. For the challenging non‐COVID‐19 pneumonia classification task, radiomics‐boosted implementation of VGG‐16 (AUC from 0.918 to 0.969) and VGG‐19 (AUC from 0.964 to 0.970) improved ROC results, while DenseNet‐121 showed a slight yet insignificant ROC performance reduction (AUC from 0.963 to 0.949). The achieved highest accuracy of COVID‐19/non‐COVID‐19 pneumonia/healthy individual classifications were 0.973 (VGG‐19)/0.936 (VGG‐19)/ 0.933 (VGG‐16), respectively.

Conclusions

The inclusion of radiomic analysis in deep learning model design improved the performance and robustness of COVID‐19/non‐COVID‐19 pneumonia/healthy individual classification, which holds great potential for clinical applications in the COVID‐19 pandemic.
A novel energy‐based framework for characterizing the strain‐softening behavior of CFRP composites using cyclic loading
Authors: Zhang Lei , Zhang Hanyu , Liu Zhao , Zhu Ping
Published: March 2022

Complex failure modes of carbon fiber reinforced polymer (CFRP) composites create significant challenges for CFRP components' progressive damage analysis (PDA). Though important in PDA, the phenomenological strain‐softening model (SSM) for characterizing the degradation behavior in the fiber‐parallel direction (dominated by fiber breakage) of CFRP is difficult to be constructed by current approaches due to the poor toughness of carbon fibers. The work aims to obtain a refined SSM of plain woven CFRP composites through experimental methods and apply it to the PDA of corresponding components. A novel phenomenological cyclic‐loading‐based strain‐softening model (CLSSM) was proposed based on the theory of equivalent dissipation energy during static and cyclic loading. Firstly, the release behavior of dissipation energy during the cyclic loading process was researched. Secondly, a newly designed search algorithm taking degraded mechanical properties during cyclic loading as input and taking the static strain‐softening curve as output was utilized to build up CLSSM. Thirdly, a three‐point bending test was conducted and a corresponding numerical model was constructed for comparison to verify the proposed model. The entire framework is highly programmatic, and results show that CLSSM is fast for characterizing the strain‐softening behavior, and effectively simulates the progressive failure process of CFRP components.
Best practice assessments for autism spectrum disorders in schools
Authors: Christopher Kourtney , Lord Catherine
Published: March 2022

The heterogeneous nature of Autism Spectrum Disorder (ASD) makes accurate diagnosis challenging. Best practice assessments in schools can open pathways to appropriate interventions and educational placements for those with ASD, as well as help identify a student's strengths. There are various tools used in school settings to assess autism. In this review, we briefly discuss those instruments with a specific focus on the use of the Autism Diagnostic Observation Schedule‐Second Edition (ADOS‐2), one of the most widely used and well‐researched assessment tools. We address special considerations that may impact the psychometric properties of the ADOS‐2 as well as outline practical implications and recommendations for practitioners in schools.
Meeting the Needs of a Potent Carrier for Malaria Treatment: Encapsulation of Artemisone in Poly(lactide‐co‐glycolide) Micro‐ and Nanoparticles
Authors: Heidari Mina , Golenser Jacob , Greiner Andreas
Published: March 2022

Biodegradable polymer nano‐ and microparticles are of interest as drug carriers due to their capability to modulate drug release. Two different methods, including solvent displacement and spray drying, are used, resulting in the fabrication of Artemisone (ART)‐loaded polymeric nano‐ and microparticles, respectively. Scanning electron microscopy, transmission electron microscopy, dynamic light scattering, and asymmetric flow field flow fractionation (AF4) are employed to evaluate the morphology and size of the particles. The encapsulation and loading efficiency of the drug as well as cumulative release are characterized using high‐performance liquid chromatography (HPLC). HPLC results confirm that the spray drying method provides higher encapsulation efficiencies of about 97%, whereas, in nanoparticles prepared by solvent displacement, the highest encapsulation efficiency is 71%. Using these production methods, round‐shaped particles with homogeneous size distribution are fabricated. Moreover, the preparation procedure is optimized to obtain particles with the highest encapsulation and drug loading efficiency. Using the solvent displacement method, stable dispersions in water are obtained without adding any surfactant, whereas, for spray‐dried microparticles, tween 80 is needed to redisperse particles. The micro‐ and nanoparticles show different release properties, which are of interest for drug delivery application of hydrophobic drugs like ART.
A structural model of the human plasminogen and Aspergillus fumigatus enolase complex
Authors: Nguyen Stephanie , Jovcevski Blagojce , Truong Jia Q. , Pukala Tara L. , Bruning John B.
Published: March 2022

The metabolic enzyme, enolase, plays a crucial role in the cytoplasm where it maintains cellular energy production within the process of glycolysis. The main role of enolase in glycolysis is to convert 2‐phosphoglycerate to phosphoenolpyruvate; however, enolase can fulfill roles that deviate from this function. In pathogenic bacteria and fungi, enolase is also located on the cell surface where it functions as a virulence factor. Surface‐expressed enolase is a receptor for human plasma proteins, including plasminogen, and this interaction facilitates nutrient acquisition and tissue invasion. A novel approach to developing antifungal drugs is to inhibit the formation of this complex. To better understand the structure of enolase and the interactions that may govern complex formation, we have solved the first X‐ray crystal structure of enolase from Aspergillus fumigatus (2.0 Å) and have shown that it preferentially adopts a dimeric quaternary structure using native mass spectrometry. Two additional X‐ray crystal structures of A. fumigatus enolase bound to the endogenous substrate 2‐phosphoglycerate and product phosphoenolpyruvate were determined and kinetic characterization was carried out to better understand the details of its canonical function. From these data, we have produced a model of the A. fumigatus enolase and human plasminogen complex to provide structural insights into the mechanisms of virulence and aid future development of small molecules or peptidomimetics for antifungal drug design.