bluuebunny/crossref_metadata_2025 huggingface dataset:
Relativistic Coupled‐Cluster Calculations of Spectroscopic Properties of Copernicium and Flerovium Monoxides
Authors: Kotov Artem A. , Kozhedub Yury S. , Glazov Dmitry A. , Iliaš Miroslav , Pershina Valeria , Shabaev Vladimir M.
Published: November 2022

Calculations of spectroscopic properties of the CnO and FlO molecules are performed using ab initio all‐electron 4c‐ and 2c‐relativistic coupled‐cluster approaches with single, double, and perturbative triple excitations. The corresponding calculation for HgO is also accomplished for comparison with the published data. The dependence of the results on the parameters of the basis set and approximations used is investigated in detail. The overall relative uncertainties of the recommended values on the level of 1–2 % are reached. The calculated spectroscopic constants are indicative of the following trend in the reactivity of the oxides HgO>FlO>CnO. This is confirmed by the trend in the adsorption energies, Eads, of these molecules on the surfaces of gold, quartz, and Teflon. The predicted rather low Eads values for the latter case should guarantee their delivery from the recoil chamber to the chemistry set up in gas‐phase experiments.
Quantum Dots, Passivation Layer and Cocatalysts for Enhanced Photoelectrochemical Hydrogen Production
Authors: Kim Hwapyong , Choe Ayeong , Ha Seung Beom , Narejo Ghulam Mustafa , Koo Sung Wook , Han Ji Su , Chung Wookjin , Kim Jae‐Yup , Yang Jiwoong , In Su‐Il
Published: November 2022

Solar‐driven photoelectrochemical (PEC) hydrogen production is one potential pathway to establish a carbon‐neutral society. Nowadays, quantum dots (QDs)‐sensitized semiconductors have emerged as promising materials for PEC hydrogen production due to their tunable bandgap by size or morphology control, displaying excellent optical and electrical properties. Nevertheless, they still suffer from anodic corrosion during long‐term cycling, offering poor stability. This Review discussed advancements to improve long‐term stability of QDs particularly in terms of cocatalysts and passivation layers. The working principle of PEC cells was reviewed, along with all important configurations adopted over recent years. The equations to assess PEC performance were also described. A greater emphasized was placed on QDs and incorporation of cocatalysts or passivation layers that could enhance the PEC performance by influencing the charge transfer and surface recombination processes.
The influence of pups on aggressive interactions between smooth‐coated otters and water monitor lizards in Singapore
Authors: Bungum Haaken Zhong , Johns Philip
Published: November 2022

Smooth‐coated otters (Lutrogale perspicillata) and Malayan water monitor lizards (Varanus salvator) occupy similar habitats and interact regularly in Singapore's waterways. These interactions have a range of potential outcomes and are sometimes lethal. Few formal behavioral studies exist for either species. We analyzed interactions between otters and monitor lizards by gleaning data from publicly available videos from citizen scientists to examine what factors influence aggressive and defensive behaviors and what influences vigilance in otters. Behavioral sequence analysis revealed no obvious monitor lizard behavior that predicted otter aggression toward monitors. We found that the presence and number of otter pups are positively associated with otter aggression. Otters also tended to be more vigilant in groups with more pups and more vigilant on land than water. Monitor lizards almost always displayed aggressive and defensive behaviors, regardless of whether otters were aggressive toward the lizards. These observations suggest that otters vary their aggression and vigilance levels depending on their group composition and the physical environment of their interactions with monitor lizards.
How much does the typical ecological meta‐analysis overestimate the true mean effect size?
Authors: Fox Jeremy W.
Published: November 2022

Many primary research studies in ecology are underpowered, providing very imprecise estimates of effect size. Meta‐analyses partially mitigate this imprecision by combining data from different studies. But meta‐analytic estimates of mean effect size may still remain imprecise, particularly if the meta‐analysis includes a small number of studies. Imprecise, large‐magnitude estimates of mean effect size from small meta‐analyses likely would shrink if additional studies were conducted (regression towards the mean). Here, I propose a way to estimate and correct this regression to the mean, using meta‐meta‐analysis (meta‐analysis of meta‐analyses). Hierarchical random effects meta‐meta‐analysis shrinks estimated mean effect sizes from different meta‐analyses towards the grand mean, bringing those estimated means closer on average to their unknown true values. The intuition is that, if a meta‐analysis reports a mean effect size much larger in magnitude than that reported by other meta‐analyses, that large mean effect size likely is an overestimate. This intuition holds even if different meta‐analyses of different topics have different true mean effect sizes. Drawing on a compilation of data from hundreds of ecological meta‐analyses, I find that the typical (median) ecological meta‐analysis overestimates the absolute magnitude of the true mean effect size by ~10%. Some small ecological meta‐analyses overestimate the magnitude of the true mean effect size by >50%. Meta‐meta‐analysis is a promising tool for improving the accuracy of meta‐analytic estimates of mean effect size, particularly estimates based on just a few studies.
Review on the current trends and future perspectives of postbiotics for developing healtheir foods
Authors: Viswanathan Kanimozhi , Muthusamy Sukumar
Published: November 2022

It is a known fact that a number of routes explaining the health benefits of beneficial bacterial cells require vitality. However, more recent terms such as the para probiotic and postbiotic have appeared to indicate that, in addition to live cultures, nonviable microbial cells, microbial fractions, or cell lysates also have the ability to benefit the host by boosting bioactivity. According to current scientific research, postbiotics are potentially safer than their parent live cells as alternative agents. Because of their distinct clinical, technological, and economic properties, they can be used as promising tools in the food and drug industries to achieve therapeutic goals and health benefits. The postbiotic theory, proof of their health benefits, probable signaling pathways involved in their protective mechanisms, and their potential use as functional foods are all covered in this review. With the use of comparative studies on past research, it discusses the methodologies utilized to obtain and identify postbiotics. It educates about postbiotics' bioactivity and probable physiological effects. It also instructs of all possible food applications and underlines the processes involved.
Hominins likely occupied northern Europe before one million years ago
Authors: Key Alastair , Ashton Nick
Published: November 2022

Our understanding of when hominins first reached northern Europe is dependent on a fragmented archaeological and fossil record known from as early as marine isotope stage (MIS) 21 or 25 (c. 840 or 950 thousand years ago [Ka]). This contrasts sharply with southern Europe, where hominin occupation is evidenced from MIS 37 to 45 (c. 1.22 or 1.39 million years ago [Ma]). Northern Europe, however, exhibits climatic, geological, demographic, and historical disadvantages when it comes to preserving fossil and archaeological evidence of early hominin habitation. It is argued here that perceived differences in first occupation timings between the two European regions needs to be revised in light of these factors. To enhance this understanding, optimal linear estimation models are run using data from the current fossil and artefact record. Results suggest northern Europe to have first been occupied as early as 1.16 Ma, or as late as 913 Ka. These timings could represent minimum date expectations and be extended through future archaeological and fossil discoveries.
The Indonesian version of Ages and Stages Questionnaire III accuracy compared to Bayley Scales of Infant Development III
Authors: Yunilda Erva , Gunardi Hartono , Medise Bernie Endyarni , Oswari Hanifah
Published: November 2022

Identifying children with developmental disabilities is critical in providing early intervention services. This study aimed to evaluate the concurrent validity information of the 24‐, 30‐, and 36‐month Indonesian Ages and Stages Questionnaires third edition (ASQ‐3) with Bayley Scales of Infant and Toddler Development 3rd Edition (BSID‐III) in Indonesian children. Children living in Tanah Tinggi subdistrict, Central Jakarta, within the 24‐, 30‐, or 36‐month age group, were assessed for Indonesian ASQ‐3 concurrently with BSID‐III. Screening test accuracy was measured in sensitivity, specificity, and predictive values for both overall dan specific domains. A total of 131 children were included as study participants. Sensitivity, specificity, positive predictive value, and negative predictive value (NPV) for 24‐, 30‐, and 36‐ month ASQ‐3 questionnaires were 80.6%, 69.5%, 50%, and 90.4%, respectively. Age‐specific sensitivity and specificity were 72.7%–84.6% and 59.4%–79.4%, with accuracy increasing from 65.9% at 24‐month to 77.8% at 36‐month. The accuracy in detecting language delay (88.5%) is higher than cognitive delay (77.9%) and motor delay (64.1%). ASQ‐3 overall and age‐specific sensitivities were good enough, given they were above 70%. The 36‐month questionnaire had the best accuracy. A high NPV supports using the ASQ‐3 Indonesian version to exclude developmental delay.

Highlights

Indonesian ASQ‐3 questionnaires can identify children at risk for developmental delay and undergo early intervention.

Likelihood ratios calculation revealed findings of developmental delay using Indonesian ASQ‐3 questionnaires increases the probability of developmental delay detection by around 22%.

Indonesian ASQ‐3 questionnaires for 24‐, 30‐, and 36‐ month age groups generated good sensitivity and accuracy for developmental screening.

Indonesian ASQ‐3 can be used as first‐stage screening following the MCHH surveillance tool, particularly at 24‐, 30‐, and 36‐ months.
Diosgenin protects retinal pigment epithelial cells from inflammatory damage and oxidative stress induced by high glucose by activating AMPK/Nrf2/HO‐1 pathway
Authors: Hao Yang , Gao Xuefeng
Published: November 2022

Introduction

Diosgenin is a natural steroidal compound with reported antidiabetic and many other protective properties. This study aimed to explore the protective effect of diosgenin on high‐glucose (HG)‐induced retinal pigment epithelial cells.

Methods

HG‐induced ARPE‐19 cells were considered as a cell model of diabetic retinopathy (DR). The viability and apoptosis of ARPE‐19 cells induced by HG treated with either diosgenin or Compound C (CC; dorsomorphin) were detected by Cell Counting Kit‐8 assay and flow cytometric analysis. The expression of apoptosis‐related proteins, inflammation‐related proteins, and AMPK/Nrf2/HO‐1 pathway‐related proteins was detected by western blotting. The levels of inflammatory cytokines and detection of oxidative stress indexes were performed using the appropriate assay kits. The messenger RNA expression of inflammatory cytokines was detected by real‐time quantitative polymerase chain reaction.

Results

There was no obvious effect of diosgenin on the viability of ARPE‐19 cells and the viability of ARPE‐19 cells was significantly reduced after HG induction. However, diosgenin increased the viability, inhibited the apoptosis, and reduced the inflammatory response and oxidative stress of ARPE‐19 cells induced by HG. In addition, diosgenin could activate the AMPK/Nrf2/HO‐1 pathway. CC, an AMPK inhibitor, could reverse the above changes caused by diosgenin treatment in ARPE‐19 cells induced by HG.

Conclusions

Diosgenin could protect ARPE‐19 cells from inflammatory damage and oxidative stress induced by HG, by activating the AMPK/Nrf2/HO‐1 pathway.
SPTBN1 attenuates rheumatoid arthritis synovial cell proliferation, invasion, migration and inflammatory response by binding to PIK3R2
Authors: Dai Li‐ping , Xu Xiao‐dong , Yang Ting‐ting , Yin Zhi‐hua , Ye Zhi‐zhong , Wei Ya‐zhi
Published: November 2022

Background

As an autoimmune systemic disorder, rheumatoid arthritis (RA) features chronic inflammation as well as synovial infiltration of immune cells. This study was designed with the purpose of discussing the hidden mechanism of SPTBN1 and exploring favorable molecular‐targeted therapies.

Methods

With the application of RT‐qPCR and western blot, the expressions of SPTBN1 and PIK3R2 before or after transfection were estimated. Besides, Cell Counting Kit‐8, Edu, wound healing, transwell, enzyme‐linked immunosorbent assay, and TUNEL were adopted for the evaluation of the viability, proliferation, migration, invasion, inflammatory response, and apoptosis of fibroblast‐like synoviocyte (FLS). In addition, the interaction of SPTBN1 and PIK3R2 was testified by applying immunoprecipitation (IP) and western blot was utilized for the assessment of migration‐, apoptosis‐, and PI3K/AKT signal‐related proteins.

Results

It was discovered that SPTBN1 declined in RA synovial cells and its overexpression repressed the proliferation, migration, invasion, and inflammation of RA‐FLSs but promoted apoptosis. IP confirmed that SPTBN1 could bind to PIK3R2 in FLSs. To further figure out the hidden mechanism of SPTBN1 in RA, a series of functional experiments were carried out and the results demonstrated that the reduced expressions of MMP2, MMP9, IL‐8, IL‐1β, IL‐6, and Bcl2 as well as increased levels of Bax and cleaved caspase3 in SPTBN1‐overexpressed RA‐FLSs were reversed by PIK3R2 depletion, revealing that SPTBN1 repressed the migration and inflammation and promoted the apoptosis of RA‐FLSs via binding to PIK3R2. Results obtained from western blot also revealed that PIK3R2 interference ascended the contents of p‐PI3K and p‐AKT in SPTBN1‐overexpressed RA‐FLSs, implying that SPTBN1 repressed PI3K/AKT signal in RA via PIK3R2.

Discussion

SPTBN1 alleviated the proliferation, migration, invasion, and inflammation in RA via interacting with PIK3R2.
A conservative treatment for eosinophilic cystitis
Authors: Simonato Franco Alchiede , Pavan Nicola , Pinelli Mirko , Tulone Gabriele , Giaimo Rosa , Martorana Anna , Simonato Alchiede
Published: November 2022

Introduction

Eosinophilic cystitis is a rare condition which causes common symptoms and may mimic other conditions. Eosinophilic cystitis has several causes such as hypereosinophilic syndrome, inflammatory diseases, neoplasia, parasites or fungal infection, IgE‐related diseases, Drug Reaction and Eosinophilia and Systemic Symptoms (DRESS) syndrome, or Churg‐Strauss syndrome. Therefore, differential diagnosis is difficult.

Case presentation

We report the case of a middle‐aged man affected by eosinophilic cystitis with persistent hematuria and other peculiar symptoms that may be brought back to hypereosinophilic crisis.

Conclusion

Conservative approach is preferred, avoiding radical cystectomy rather than corticosteroid, antihistaminic and second line therapy. Hyperbaric therapy is an innovative approach for severe relapsing gross hematuria without specific literature and should be studied for further indications.
Electrochemical properties depending on heteroatom and surface property of various carbon sources/NiO composites as supercapacitor electrode
Authors: Lee Kwang Se , Mugobera Sharon , Park Chan Woo , Ko Jang Myoun
Published: November 2022

This study describes the creation and use of composites of nickel oxide and activated carbon as supercapacitor electrodes. A one‐pot reaction is used to synthesize composite materials of nickel oxide and activated carbon (microalgae, asphaltene, and wood). A precursor solution of Ni(OH)2 is blended with activated carbon through a precipitating method at a controlled weight ratio of nickel oxide and activated carbon, then the obtained powder is calcinated at 300°C for 3 hr. The composites are analyzed by X‐ray diffraction, scanning electron microscopy, and energy dispersive X‐ray analysis (EDX). It is confirmed that nickel oxide sprouted on activated carbon surface. At a nickel oxide activated carbon weight ratio of 1:20, the greatest specific capacitances at 1 A/g current density are 624.2, 487.1, and 403 F/g, respectively.
An exploratory investigation of schema modes in social anxiety disorder: Empirical findings and case conceptualization
Authors: Norton Alice R. , Penney Erika , Abbott Maree J.
Published: November 2022

Background

Current “gold standard” treatments for social anxiety disorder (SAD) are limited by the limited emphasis of key etiological factors in conceptualization, and many individuals with SAD experience residual symptoms posttreatment. Hence, the novel application of the Schema Therapy Mode Model may provide a helpful framework for extending clinical understanding and treatment options for SAD. This exploratory study aimed to investigate the presence and pattern of schema modes among SAD individuals.

Method

Forty individuals with SAD completed questionnaire measures of symptomatology, social anxiety‐relevant cognitions, schema modes, childhood trauma, and parental style.

Results

Key maladaptive schema modes identified in SAD were Vulnerable Child, Punitive Critic, Demanding Critic, Compliant Surrender, and Detached Self‐Soother.

Conclusion

Outcomes provide the basis for a proposed schema mode case conceptualization for SAD and are hoped to provide a rationale for testing the applicability of Schema Therapy as a novel treatment for SAD. Key limitations are discussed.
Implementation of intraoperative wound irrigation with aqueous 10% povidone–iodine and triclosan‐coated sutures is not effective for reducing the incidence of incisional surgical site infection after major hepato‐biliary‐pancreatic surgery in patients with preoperative biliary drainage
Authors: Noda Hiroshi , Maemoto Ryo , Ichida Kosuke , Aizawa Hidetoshi , Endo Yuhei , Iseki Masahiro , Maeda Shimpei , Kato Takarharu , Watanabe Fumiaki , Rikiyama Toshiki
Published: November 2022

Background/Purpose

Patients who receive preoperative biliary drainage (PBD) and biliary reconstruction are most at risk for incisional surgical site infection (SSI) in major hepatobiliary‐pancreatic (HBP) surgery.

Methods

We evaluated 72 patients with PBD who underwent major HBP surgery and received intraoperative wound irrigation (IOWI) with saline and standard sutures between March 2014 and March 2017 (Cohort 1) and 63 patients with PBD who underwent major HBP surgery and received IOWI with aqueous 10% povidone–iodine and antibacterial sutures between June 2019 and February 2022 (Cohort 2). We compared the incidence of incisional SSI between the two cohorts.

Results

Twenty‐seven (20.0%) of 135 patients developed incisional SSIs. The rate of current smoking was more frequent in patients who developed incisional SSIs than in those who did not (37.0% vs. 14.8%, p = .012). A total of 18 (25%) of 72 patients developed incisional SSI in Cohort 1, and nine (14.3%) of 63 developed incisional SSI in Cohort 2. Cohort 2 had a 10% lower incidence of incisional SSI than Cohort 1, a nonsignificant difference (p = .09).

Conclusion

The implementation of IOWI with aqueous 10% PVP‐I and antibacterial sutures failed to significantly reduce the incidence of incisional SSI in comparison to IOWI with saline and standard sutures in major HBP surgery.
Antibiotic use and outcomes among children hospitalized with suspected pneumonia
Authors: Cotter Jillian M. , Florin Todd A. , Moss Angela , Suresh Krithika , Navanandan Nidhya , Ramgopal Sriram , Shah Samir S. , Ruddy Richard , Kempe Allison , Ambroggio Lilliam
Published: November 2022

Background

Although viral etiologies predominate, antibiotics are frequently prescribed for community‐acquired pneumonia (CAP).

Objective

We evaluated the association between antibiotic use and outcomes among children hospitalized with suspected CAP.

Designs, Settings and Participants

We performed a secondary analysis of a prospective cohort of children hospitalized with suspected CAP.

Intervention

The exposure was the receipt of antibiotics in the emergency department (ED).

Main Outcome and Measures

Clinical outcomes included length of stay (LOS), care escalation, postdischarge treatment failure, 30‐day ED revisit, and quality‐of‐life (QoL) measures from a follow‐up survey 7–15 days post discharge. To minimize confounding by indication (e.g., radiographic CAP), we performed inverse probability treatment weighting with propensity analyses.

Results

Among 523 children, 66% were <5 years, 88% were febrile, 55% had radiographic CAP, and 55% received ED antibiotics. The median LOS was 41 h (IQR: 25, 54). After propensity analyses, there were no differences in LOS, escalated care, treatment failure, or revisits between children who received antibiotics and those who did not. Seventy‐one percent of patients completed follow‐up surveys after discharge. Among 16% of patients with fevers after discharge, the median fever duration was 2 days, and those who received antibiotics had a 37% decrease in the mean number of days with fever (95% confidence interval: 20% and 51%). We found no statistical differences in other QoL measures.

Conclusions

In this propensity‐weighted analysis of children hospitalized with suspected CAP, there were no clinically significant differences in most outcomes based on ED antibiotic use. There is likely a small subset of children in whom antibiotics are beneficial, and better identification of those who benefit from antibiotics is needed.
On Hadamard's three‐hyperballs theorem and its applications to Whittaker‐Cannon hypercomplex theory
Authors: Zayed M. , Morais J.
Published: November 2022

This paper shows a hypercomplex function theory emerging in the representation of paravector‐valued monogenic functions over the
‐dimensional Euclidean space through a basic set (or basis) of hypercomplex monogenic polynomials. We derive the properties of the arising hypercomplex Cannon function and present an extension of the well‐known Whittaker‐Cannon theorem to special monogenic functions defined in an open hyperball in
. More precisely, we determine what conditions should be applied to a basic set of special monogenic polynomials to attain the effectiveness property in an open hyperball employing Hadamard's three‐hyperballs theorem. We also provide a necessary and sufficient condition for a special monogenic Cannon series to represent every function near the origin that is special monogenic there. Additionally, we investigate the effectiveness of a non‐Cannon basis and show that the underlying hypercomplex Cannon function maintains similar properties in both cases, the Cannon basis and the non‐Cannon basis.
Skeletal muscle 99mTechnetium‐pyrophosphate scan: More questions than answers
Authors: Pinto Marcus V. , Liewluck Teerin
Published: November 2022

See article on pages 111‐116 in this issue.
Imputing missing covariates in time‐to‐event analysis within distributed research networks: A simulation study
Authors: Li Dongdong , Wong Jenna , Li Xiaojuan , Toh Sengwee , Wang Rui
Published: November 2022

Purpose

In distributed research network (DRN) settings, multiple imputation cannot be directly implemented because pooling individual‐level data are often not feasible. The performance of multiple imputation in combination with meta‐analysis is not well understood within DRNs.

Methods

To evaluate the performance of imputation for missing baseline covariate data in combination with meta‐analysis for time‐to‐event analysis within DRNs, we compared two parametric algorithms including one approximated linear imputation model (Approx), and one nonlinear substantive model compatible imputation model (SMC), as well as two non‐parametric machine learning algorithms including random forest (RF), and classification and regression trees (CART), through simulation studies motivated by a real‐world data set.

Results

Under the setting with small effect sizes (i.e., log‐Hazard ratios [logHR]) and homogeneous missingness mechanisms across sites, all imputation methods produced unbiased and more efficient estimates while the complete‐case analysis could be biased and inefficient; and under heterogeneous missingness mechanisms, estimates with RF method could have higher efficiency. Estimates from the distributed imputation combined by meta‐analysis were similar to those from the imputation using pooled data. When logHRs were large, the SMC imputation algorithm generally performed better than others.

Conclusions

These findings suggest the validity and feasibility of imputation within DRNs in the presence of missing covariate data in time‐to‐event analysis under various settings. The performance of the four imputation algorithms varies with the effect sizes and level of missingness.
Epoxy adhesive shear mechanism on the molecular level
Authors: Song Jingfu , Wang Guoqing , Zhao Gai
Published: November 2022

The tensile and shear performances of epoxy adhesive were evaluated both experimentally and using molecular dynamics (MD) simulations to understand the shear mechanism operating at the atomic level. A sandwich structure composed of pure epoxy and two copper layers was established based on the standard stretching mode. This three‐layer model was first stretched in the perpendicular direction to examine the dynamic evolution of the epoxy molecules. The epoxy was then adhered onto both smooth and rough copper surfaces to determine their shear strengths. Adhesive failure involving interfacial slippage and slight shear deformation of the epoxy matrix was observed on the smooth copper surface, while the epoxy was strongly bound to the rough surface and fractured under shear stress. MD simulations provided data that are consistent with experimental values. Finally, the shear mechanism was investigated by calculating the interaction energies between the epoxy and copper. This study provides significant insight into the shear‐failure mechanisms of epoxy adhered to copper surfaces.
Fatalism and metaphor in Confucianism: A qualitative study of barriers to genetic testing among first‐degree relatives of hereditary cancer patients from China
Authors: Jiang Chaonan , Liu Li , Wang Ye , Wu Liangzheng , Zhang Wenxia , Wu Xiaodan
Published: November 2022

Objective

Despite the benefits, the rate of genetic testing among first‐degree relatives (FDRs; parents, children, and siblings) remains low, and the barriers to undergoing testing among FDRs in China are not clear. We explored the reasons why FDRs refused genetic testing.

Methods

Semi‐structured face‐to‐face interviews were conducted with 22 patients and 27 FDRs. Participants were recruited at an urban tertiary hospital in Guangzhou, South China. We used qualitative content analysis to analyse the transcripts of audio recordings and identify major themes and subthemes.

Results

Three major themes emerged related to FDRs' low rate of participation in genetic testing. First, there is cognitive distance from genetic testing/cancer and a lack of knowledge of preventive medicine that deepens the ‘fatalistic’ attitude towards cancer among FDRs, which leads to an enormous gap between their knowledge and understanding of genetic testing. Second, medical consultation is not valued in Confucianism, and the view of cancer as ‘bad news’ and the risk of cancer as a curse makes cancer a metaphor, which leads to exhausting arguments when persuading FDRs to undergo genetic testing. Third, physical distance from the hospital, loss of privacy, possible discrimination in many social activities and genetic testing as a source of stress and anxiety lead FDRs to fear the disruption of their daily lives.

Conclusions

There are many barriers to genetic testing among the FDRs of hereditary cancer patients originating from the national social and cultural context. Healthcare professionals should develop interventions rooted in culture and promote cancer risk communication between hereditary cancer patients and FDRs.
From passenger to citizen—portraits of learning to be a physiotherapist
Authors: Barradell Sarah
Published: November 2022

Background and Purpose

Understanding the experiences of learners—and future graduates—is integral to their professional development and to the development of the profession. This paper adds to understanding of physiotherapy student experiences by exploring the ways students and recent graduates approach, learn about, connect with and form a relationship with their chosen profession of physiotherapy.

Methods

Heuristic inquiry, a form of phenomenology, was used. Thirteen participants (11 students and 2 new graduates) were interviewed.

Results

The findings are presented as four portraits: passenger, tourist, resident and citizen. These represent four particular and prominent ways that the participants connected with specific situations and/or to the profession as a whole, the sense they made of those situations (or the broader profession) and the identity formed.

Discussion

The portraits help educators to think about how students are navigating the process of becoming a physiotherapist and might act as a tool to help foster students' professional development. Educators who understand students' motivations and struggles are better prepared to help students to see themselves and the profession in sophisticated ways.
Phage‐assisted, active site‐directed ligand evolution of a potent and selective histone deacetylase 8 inhibitor
Authors: Morse Jared S. , Sheng Yan J. , Hampton Joshua Trae , Sylvain Lauralee D. , Das Sukant , Alugubelli Yugendar R. , Chen Peng‐Hsun Chase , Yang Kai S. , Xu Shiqing , Fierke Carol A. , Liu Wenshe Ray
Published: November 2022

Phage‐assisted, active site‐directed ligand evolution (PADLE) is a recently developed technique that uses an amber codon‐encoded noncanonical amino acid (ncAA) as an anchor to direct phage‐displayed peptides to a target for an enhanced ligand identification process. 2‐Amino‐8‐oxodecanoic acid (Aoda) is a ketone‐containing ncAA residue in the macrocyclic peptide natural product apicidin that is a pan‐inhibitor of Zn2+‐dependent histone deacetylases (HDACs). Its ketone serves as an anchoring point to coordinate the catalytic zinc ion in HDACs. Using a previously evolved N𝜀‐acetyl‐lysyl‐tRNA synthetase in combination with tRNAPyl, we showed that Aoda was efficiently incorporated into proteins in Escherichia coli by amber suppression. By propagating an amber codon‐obligate phagemid library in E. coli encoding Aoda, we generated an Aoda‐containing phage‐displayed peptide library. Using this library to conduct PADLE against HDAC8 revealed a 7‐mer peptide GH8P01F1 with Aoda‐flanking amino acid residues that matched existing peptide sequences in identified HDAC8 substrates. Switching Aoda in GH8P01F1 to a more Zn2+‐chelating ncAA S‐2‐amino‐8‐hydroxyamino‐8‐oxooctanoic acid (Asuha) led to an extremely potent compound GH8HA01, which has an HDAC8‐inhibition Ki value of 0.67 nM. GH8HA01 and its 5‐mer truncation analogue Ac‐GH8HA01Δ1Δ7 that has an HDAC8‐inhibition Ki value of 0.31 nM are two of the most potent HDAC8 inhibitors that have been developed. Furthermore, both are highly selective against HDAC8 compared with other HDACs tested, demonstrating the great potential of using PADLE to identify highly potent and selective ligands for targets with conserved active sites among homologues.
Snapshots of urea‐induced early structural changes and unfolding of an ankyrin repeat protein at atomic resolution
Authors: Medur Gurushankar Mukund Sudharsan , Dalvi Somavally , Venkatraman Prasanna
Published: November 2022

Protein folding and unfolding is a complex process, underscored by the many proteotoxic diseases associated with misfolded proteins. Mapping pathways from a native structure to an unfolded protein or vice versa, identifying the intermediates, and defining the role of sequence and structure en route remain outstanding problems in the field. It is even more challenging to capture the events at atomistic resolution. X‐ray diffraction has so far been used to understand how urea interacts with and unfolds two stable globular proteins. Here, we present the case study on PSMD10Gankyrin, a prototype for a moderately stable, non‐globular repeat protein, long and rigid, with its termini located at either end.   We define structural changes in the time dimension using low urea concentrations to arrive at the following conclusions. (a) Unfolding is rapidly initiated at the C‐terminus, slowly at the N‐terminus, and proceeds inwards from both ends. (b) C‐terminus undergoes an α to 310 helix transition, representing the structure of a potential early unfolding intermediate before disorder sets in. (c) Distinct and progressive changes in the electrostatic landscape of PSMD10Gankyrin were observed, indicative of conformational changes in the seemingly inflexible motif involved in protein–protein interaction. We believe this unique study will open up the field for better and bolder queries and increase the choice of model proteins for a better understanding of the challenging problems of protein folding, protein interactions, protein degradation, and diseases associated with misfolding.
Evaluating the performance of machine‐learning regression models for pharmacokinetic drug–drug interactions
Authors: Gill Jaidip , Moullet Marie , Martinsson Anton , Miljković Filip , Williamson Beth , Arends Rosalinda H. , Pilla Reddy Venkatesh
Published: November 2022

Combination therapy or concomitant drug administration can be associated with pharmacokinetic drug–drug interactions, increasing the risk of adverse drug events and reduced drug efficacy. Thus far, machine‐learning models have been developed that can classify drug–drug interactions. However, to enable quantification of the pharmacokinetic effects of a drug–drug interaction, regression‐based machine learning should be explored. Therefore, this study investigated the use of regression‐based machine learning to predict changes in drug exposure caused by pharmacokinetic drug–drug interactions. Fold changes in exposure relative to substrate drug monotherapy were collected from 120 clinical drug–drug interaction studies extracted from the Washington Drug Interaction Database and SimCYP compound library files. Drug characteristics (features) were collected such as structure, physicochemical properties, in vitro pharmacokinetic properties, cytochrome P450 metabolic activity, and population characteristics. Three different regression‐based supervised machine‐learning models were then applied to the prediction task: random forest, elastic net, and support vector regressor. Model performance was evaluated using fivefold cross‐validation. Strongest performance was observed with support vector regression, with 78% of predictions within twofold of the observed exposure changes. The results show that changes in drug exposure can be predicted with reasonable accuracy using regression‐based machine‐learning models trained on data available early in drug discovery. This has potential applications in enabling earlier drug–drug interaction risk assessment for new drug candidates.
Nanostructured Silver Films with a Low Coefficient of Thermal Expansion as a Promising Material for Nanoelectronics
Authors: Dukarov Sergii , Petrushenko Sergei , Sukhov Ruslan , Sukhov Volodymyr
Published: November 2022

The results of a study of the thermal expansion of thin silver films obtained by thermal vacuum evaporation are presented. It is shown that, after single heating, the films consist of two types of crystallites. The nanosized fraction, for which the main area of the film is accounted, is represented by crystallites with a size of 50–60 nm. In addition to them, separate grains of hundreds of nanometers in size are observed in the samples, many of which are formed during the condensation process. The coefficient of linear thermal expansion of nanocrystalline films which is only 7 × 10−6 K−1 is determined by electron diffraction using the method of measurement standard. This is significantly lower than the value which is typical for bulk samples. The decrease in the coefficient of thermal expansion is explained by the nanocrystalline nature of the films. The closeness of the obtained value to the coefficient of thermal expansion of silicon and germanium allows us to consider the use of nanocrystalline silver films as an effective way to improve the reliability and efficiency of modern and prospective microelectronics.
Hydroxy levamisole and its phase II conjugates as potential indicators of levamisole doping in thoroughbred horses
Authors: Philip Moses , Karakka Kal Abdul Khader , Subhahar Michael Benedict , Karatt Tajudheen K. , Mathew Binoy , Perwad Zubair , Graiban Fatma Mohammed , Caveney Marina Rodriguez , Sayed Ramy , Kadry Ahmed Mahmoud
Published: November 2022

Rationale

According to previous research, aminorex is the major metabolite of levamisole; however, in the screening of levamisole‐positive racehorse urine and plasma samples, aminorex could only be detected in trace amounts or not at all. In forensic laboratories, hydroxy levamisole and its phase II conjugates make it easier to confirm levamisole misuse and to differentiate between the abuse of levamisole and aminorex. This study aimed to identify the major levamisole metabolites that can be detected along with the parent drug.

Methods

The study describes levamisole and its metabolites in thoroughbred horses following oral administration and in vitro with equine liver microsomes. The plausible structures of the detected metabolites were postulated using liquid chromatography combined with high‐resolution mass spectrometry.

Results

Under the experimental conditions 26 metabolites (17 phase I, 2 phase II, and 7 conjugates of phase I metabolites) were detected (M1–M26). The major phase I metabolites identified were formed by hydroxylation. In phase II, the glucuronic acid conjugates of levamisole and hydroxy levamisole were detected as the major metabolites. In plasma, the parent drug and major metabolites are detectable for up to eight days, while in urine, they are detectable for up to twenty days. Levamisole levels rapidly increased at 45 min following administration, then declined gradually until detectable levels were reached approximately 8 days after administration, according to a pharmacokinetics study.

Conclusions

A prolonged elimination profile and relatively high concentration of hydroxy metabolites suggest that the detection of hydroxy metabolites is imperative for investigating levamisole doping in horses.
High‐temperature mass spectrometric study and modeling of ceramics based on the Al2O3‐SiO2‐ZrO2 system
Authors: Stolyarova Valеntina L. , Shilov Andrey L. , Lopatin Sergey I. , Vorozhtcov Viktor A. , Yurchenko Dmitrii A. , Knyazyan Nikolay B. , Manukyan Goharik G.
Published: November 2022

Rationale

Materials based on the Al2O3‐SiO2‐ZrO2 system are promising for a wide range of high‐temperature technological applications, such as thermal barrier coatings in the aviation and space industry or advanced materials in nuclear power reactors. Experimental studies of the ceramics based on this system by the Knudsen effusion mass spectrometric (KEMS) method are of significant interest in designing technological processes for the synthesis and exploitation of the Al2O3‐SiO2‐ZrO2 materials.

Methods

Samples of ceramics in the Al2O3‐SiO2‐ZrO2 system, including the Al2O3‐ZrO2 and SiO2‐ZrO2 binaries, were prepared by solid‐state synthesis. Analysis of the samples was performed by X‐ray fluorescence and diffraction techniques. The vapor composition and thermodynamic properties of the components in this system were determined by KEMS. The derived thermodynamic functions were optimized within the generalized lattice theory of associated solutions (GLTAS).

Results

In the temperature range 1900–2600 K, the SiO, Al, AlO, Al2O, ZrO, ZrO2, and O vapor species were identified over the samples in the systems under study. For the thermodynamic properties to be determined correctly, the samples of the Al2O3‐SiO2‐ZrO2 system had to be vaporized at temperatures less than 2000 K, where data could be obtained only for the SiO species. The SiO2 activities obtained were taken as the experimental basis for the modeling within the GLTAS approach. This allowed evaluation of the component activities and excess Gibbs energy, and assessment of the relative number of bonds of different types.

Conclusions

At 1920 K, the Al2O3‐SiO2‐ZrO2 system is characterized by negative deviations of its thermodynamic properties from the ideal behavior. The consistency of the obtained modeling results was illustrated by comparison of the values derived from the data for the ternary and the boundary binary systems and thereby indicates the reasonable uniformity of the energy parameters of the lattice model derived in the calculations, which may be used in further modeling of multicomponent systems.
Bilateral pneumothoraces with apical consolidations
Authors: Kinoshita Yoshiaki , Utsunomiya Takuhide , Kushima Hisako , Ishii Hiroshi
Published: November 2022

Bilateral pneumothoraces are extremely rare. Patients with pleuroparenchymal fibroelastosis are frequently complicated by pneumothorax, which is sometimes bilateral. Pleuroparenchymal fibroelastosis should be considered a cause of bilateral pneumothoraces with apical fibrosis.
Resource scheduling in mobile edge computing using improved ant colony algorithm for space information network
Authors: Wang Yufei , Liu Jun , Tong Yu , Yang Qingwen , Liu Yanyi , Mou Hanbo
Published: November 2022

With the development of space information network (SIN), new network applications are emerging. Satellites are not only used for storage and transmission but also gradually used for calculation and analysis, so the demand for resources is increasing. But satellite resources are still limited. Mobile edge computing (MEC) is considered an effective technique to reduce the pressure on satellite resources. To solve the problem of task execution delay caused by limited satellite resources, we designed Space Mobile Edge Computing Network (SMECN) architecture. According to this architecture, we propose a resource scheduling method. First, we decompose the user tasks in SMECN, so that the tasks can be assigned to different servers. An improved ant colony resource scheduling algorithm for SMECN is proposed. The heuristic factors and pheromones of the ant colony algorithm are improved through time and resource constraints, and the roulette algorithm is applied to route selection to avoid falling into the local optimum. We propose a dynamic scheduling algorithm to improve the contract network protocol to cope with the dynamic changes of the SIN and dynamically adjust the task execution to improve the service capability of the SIN. The simulation results show that when the number of tasks reaches 200, the algorithm proposed in this paper takes 17.52% less execution time than the Min‐Min algorithm, uses 9.58% less resources than the PSO algorithm, and achieves a resource allocation rate of 91.65%. Finally, introducing dynamic scheduling algorithms can effectively reduce task execution time and improve task availability.
Research Progress on Cu2O‐based Type‐II Heterojunction Photocatalysts for Photocatalytic Removal of Antibiotics
Authors: Wang Kai , Yu Xiaojiao , Yang Fan , Liu Zongbin , Li Zongyang , Zhang Ting , Niu Jinfen , Yao Binhua
Published: November 2022

Photocatalytic degradation technology, using solar energy as the driving force, is considered the most possible alternative to remediate environmental pollution. And it is essential to find a stable and efficient photocatalyst. As promising semiconductor‐based photocatalysts, Cu2O has acquired massive attention owning to its high conduction band energy, superior visible‐light response‐ability, low cost, eco‐friendly, and abundance. However, the application of origin Cu2O faces severe problems due to its photocorrosion and low photoinduced carrier separation. Consequently, it is necessary to improve its photostability and photocatalytic activity by carrying out numerous modification strategies, such as heterostructure construction. Herein, we first summarize the classification and operation principles of Cu2O‐based type‐II heterojunction. Then, the application of the Cu2O‐based type‐II heterojunction photocatalysts for the removal of tetracyclines, quinolones, and sulfonamides have been discussed. Finally, the pressing issues and perspectives in Cu2O‐based type‐II heterojunction photocatalysts application for degrading antibiotics have prospected.
Controlling Size Distribution of Silver Nanoparticles using Natural Reducing Agents in MCM‐41@Ag
Authors: Bravo de Luciano Gerardo‐Miguel , Panecatl‐Bernal Yesmin , Soto‐Cruz Blanca‐Susana , Méndez‐Rojas Miguel Ángel , López‐Salazar Primavera , Alcántara‐Iniesta Salvador , Portillo Melissa Chávez , Romero‐López Anabel , Mejía‐Silva Jesús‐Israel , Alvarado Joaquin , Domínguez‐Jiménez Miguel Ángel
Published: November 2022

It is by reported the effect of natural reducing agents such as plant extracts (Equisetum myriochaetum leaves, Cymbopogon citratus, Camellia sinensis, Syzygium aromaticum), fruits (orange, apple), and biopolymers (arabic gum, and chitosan) on the size distribution of silver nanoparticles, obtained by green synthesis, to be incorporated in a MCM‐41@Ag nanocomposite. The aim is to determine the influence of temperature, agitation time, concentration, atmosphere, and nature of the reducing agent on the MCM‐41@Ag particle size. According to the DLS analysis, the extract of Syzygium aromaticum produced silver nanoparticles in the range of 8–80 nm. Further structural, morphological, optical, and surface characterization confirmed the obtention of the desired MCM‐41@Ag nanocomposite. Our results show the potential of MCM‐41@Ag to be incorporated in Metal‐insulator‐semiconductor capacitors for detection purposes.
Using Both Classical and Chemometric Chromatographic Measurements to Quantify and Monitor the in‐vitro Dissolution Profiles of Lamivudine and Zidovudine in Combined Tablets
Authors: Dinç Erdal , Özdemir Nurten , Tilkan M. Günseli , Rouhani Ghazal , Büker Eda , Hoang Vu Dang
Published: November 2022

Classical and chemometric calibration strategies based‐Ultra Performance Liquid Chromatography‐Photodiode Array (UPLC‐PDA) measurements were improved to monitor the in‐vitro dissolution profiles of lamivudine (LAM) and zidovudine (ZID) in tablets and to quantify drugs. To generate UPLC‐PDA data, UPLC analysis was done using the mobile phase containing acetonitrile‐acetate buffer pH 5.0 (18 : 82, v/v). In the classical strategy, calibration curves were obtained by using the peak area ratios detected at 274 nm for LAM and 268 nm for ZID, respectively. Principal component regression (PCR) and partial least squares (PLS) strategies were used to solve the same problem using UPLC‐PDA measurements obtained at eight different wavelengths. Both classical and chemometric approaches were successfully applied for drugs assay and in‐vitro dissolution testing. Assay results showed that the proposed chemometric tools gave better results because they helped to minimize the effect of chromatographic issues that commonly occur with the classical UPLC approach, such as the higher standard deviation of the assay results.