bluuebunny/crossref_metadata_2025 huggingface dataset:
Magnetic biochar‐supported ZrO2 as an efficient catalyst for one‐pot synthesis of 1′,4′‐dihydro‐3H,3′H‐spiro[furo[3,4‐b]quinoline‐9,2′‐quinoxaline]‐1,3′(4H)‐diones
Authors: Zhang Shuai‐Zheng , Dong Li‐Na , Mo Li‐Ping , Zhang Zhan‐Hui
Published: November 2022

A novel ZrO2 supported on a magnetic biochar material (CoFe2O4/BC‐ZrO2) was synthesized using a relatively simple route. The prepared CoFe2O4/BC‐ZrO2 was characterized by X‐ray diffraction (XRD), Fourier transform infrared (FT‐IR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy‐dispersed X‐ray (EDX) elemental analysis, N2 adsorption–desorption isotherm, thermogravimetric analysis (TGA), and magnetic properties. The CoFe2O4/BC‐ZrO2 showed high catalytic activity for the synthesis of spiro[furo[3,4‐b]quinoline via a one‐pot three‐component reaction of benzene‐1,2‐diamine, indoline‐2,3‐dione, and tetronic acid. The catalyst can be recovered by an external magnetic field and recycled at least five times without significantly reducing its activity.
The structure and priorities of researchers' scholarly profile maintenance activities: A case of institutional research information management system
Authors: Lee Dong Joon , Stvilia Besiki , Ha Seungyeon , Hahn Douglas
Published: November 2022

Research information management systems (RIMS) have become critical components of information technology infrastructure on university campuses. They are used not just for sharing and promoting faculty research, but also for conducting faculty evaluation and development, facilitating research collaborations, identifying mentors for student projects, and expert consultants for local businesses. This study is one of the first empirical investigations of the structure of researchers' scholarly profile maintenance activities in a nonmandatory institutional RIMS. By analyzing the RIMS's log data, we identified 11 tasks researchers performed when updating their profiles. These tasks were further grouped into three activities: (a) adding publication, (b) enhancing researcher identity, and (c) improving research discoverability. In addition, we found that junior researchers and female researchers were more engaged in maintaining their RIMS profiles than senior researchers and male researchers. The results provide insights for designing profile maintenance action templates for institutional RIMS that are tailored to researchers' characteristics and help enhance researchers' engagement in the curation of their research information. This also suggests that female and junior researchers can serve as early adopters of institutional RIMS.
Recent Advances of ZnCo2O4‐based Anode Materials for Li‐ion Batteries
Authors: Han Meng‐Cheng , Zou Ming‐ci , Yi Ting‐Feng , Wei Feng
Published: November 2022

ZnCo2O4 has been attracted wide research attention as a promising anode material for lithium‐ion batteries (LIBs) in recent years based on its high theoretical specific capacity, low toxicity as well as stable chemical properties. However, the further large‐scale application of pristine ZnCo2O4 anode have been impeded because of its undesirable Li+ ion conductivity, low electronic conductivity, and finite stability of electrolytes at high potentials. Recently, optimizing the micro/nano structure, modification with carbonaceous materials, incorporation with metal oxides and constructing a binder‐free structure on conductive substrate for ZnCo2O4‐based materials have been verified as promising effective routes for solving the above problems. In this review, the recent advances in underlying reaction mechanisms, synthetic methods and strategies for improving the performance of ZnCo2O4 anodes are comprehensively summarized. The factors affecting the electrochemical properties of ZnCo2O4‐based materials are mainly discussed, and paths to promote the specific capacity and cyclic stability are proposed. Finally, several insights into the future developments, challenges, and prospects of ZnCo2O4‐based anode materials of LIBs are proposed.
Survival of infants and children born with severe microcephaly, Texas, 1999–2015
Authors: Marengo Lisa K. , Archer Natalie , Shumate Charlie , Canfield Mark A. , Drummond‐Borg Margaret
Published: November 2022

Background

Severe microcephaly is a brain reduction defect where the delivery head circumference is <3rd percentile for gestational age and sex with subsequent lifelong morbidities. Our objective was to evaluate survival among 2,704 Texas infants with severe microcephaly delivered 1999–2015.

Methods

Infants with severe microcephaly from the Texas Birth Defects Registry were linked to death certificates and the national death index. Survival estimates, hazard ratios (HR) and confidence intervals (CI) were calculated using the Kaplan–Meier method and Cox proportional hazards models stratified by presence versus absence of co‐occurring defects.

Results

We identified 496 deaths by age 4 years; most (42.9%) occurred in the neonatal period, and another 39.9% died by 1 year of age. Overall infant survival was 84.8%. Lowest infant survival subgroups included those with chromosomal/syndromic conditions (66.1%), very preterm deliveries (63.9%), or co‐occurring critical congenital heart defects (44.0%). Among infants with severe microcephaly and a chromosomal/syndromic co‐occurring defect, the risk of death was nearly three‐fold higher among those with: proportionate microcephaly (i.e., small baby overall), relative to non‐proportionate (HR = 2.84, 95% CI = 2.17–3.71); low‐birthweight relative to normal (HR = 2.72, 95% CI = 1.92–3.85); critical congenital heart defects (CCHD) relative to no CCHD (HR = 2.90, 95% CI = 2.20–3.80). Trisomies were a leading underlying cause of death (27.5%).

Conclusions

Overall, infants with severe microcephaly had high 4‐year survival rates which varied by the presence of co‐occurring defects. Infants with co‐occurring chromosomal/syndromic anomalies have a higher risk of death by age one than those without any co‐occurring birth defects.
A global update on the status of prevention of folic acid‐preventable spina bifida and anencephaly in year 2020: 30‐Year anniversary of gaining knowledge about folic acid's prevention potential for neural tube defects
Authors: Kancherla Vijaya , Wagh Kaustubh , Priyadarshini Pretty , Pachón Helena , Oakley Godfrey P.
Published: November 2022

Background

Spina bifida and anencephaly are major neural tube defects largely preventable through maternal periconceptional intake of folic acid. We estimated the global proportion of folic acid‐preventable spina bifida and anencephaly (FAP SBA) prevented through mandatory folic acid fortification of cereal grains, including wheat flour, maize flour, and rice, at the end of year 2020, a time point marking the 30th anniversary of the publication of landmark British Medical Research Council (MRC) study providing unequivocal knowledge on folic acid's FAP SBA prevention potential.

Methods

The Food Fortification Initiative database was used to identify countries with mandatory fortification policies with folic acid added to cereal grains. We examined the status of FAP SBA prevention assuming mandatory folic acid fortification at 200 mcg/day of folic acid protects against FAP SBA and reduces their prevalence to a minimum achievable rate of 0.5 cases/1000 live births.

Results

Our analysis showed that 61,680 FAP SBA cases were prevented in the year 2020 through mandatory folic acid fortification of cereal grains in 58 countries, translating to 22% prevention of total possible FAP SBA prevention globally. Many countries in Africa, Asia, and Europe are yet to implement fortification. In 2020, 30 years after the MRC study was published, 218,270 preventable FAP SBA cases still occurred globally.

Conclusion

Global prevention efforts for FAP SBA are inadequate even after three decades of knowledge on their prevention. Universal mandatory fortification of staples should be urgently implemented to prevent thousands of FAP SBA and associated elective terminations, stillbirths, and child mortality.
Prevalence of congenital heart defects in Europe, 2008–2015: A registry‐based study
Authors: Mamasoula Chrysovalanto , Addor Marie‐Claude , Carbonell Clara Cavero , Dias Carlos M. , Echevarría‐González‐de‐Garibay Luis‐Javier , Gatt Miriam , Khoshnood Babak , Klungsoyr Kari , Randall Kay , Stoianova Sylvia , Haeusler Martin , Nelen Vera , Neville Amanda J. , Perthus Isabelle , Pierini Anna , Bertaut‐Nativel Bénédicte , Rissmann Anke , Rouget Florence , Schaub Bruno , Tucker David , Wellesley Diana , Zymak‐Zakutnia Natalya , Barisic Ingeborg , de Walle Hermien E. K. , Lanzoni Monica , Mullaney Carmel , Pennington Lindsay , Rankin Judith
Published: November 2022

Background

The total prevalence of congenital heart defects (CHDs) varies by populations and over time. Studies that examine trends in the prevalence of CHD in different regions may shed light on our understanding of the occurrence of CHD and the impact of different risk factors.

Objectives

To examine trends in total and live birth prevalence of nonsyndromic CHD in Europe between the years 2008 and 2015 and to investigate if the decreasing trend reported by previous studies is continuing.

Methods

Cases of CHD delivered between January 1, 2008 and December 31, 2015 notified to 25 population‐based EUROCAT (European Surveillance of Congenital Anomalies) registries in 14 countries, formed the population‐based case‐series. Prevalence (total/live) rates and 95% confidence intervals were calculated as the number of cases per 10,000 births (live and stillbirths). Time trends in prevalence of all nonsyndromic CHDs and for three CHD severity groups (very severe, severe, and less severe) were plotted using a Poisson regression multilevel approach.

Results

The total prevalence of nonsyndromic CHD was 57.1 per 10,000 births (live births and stillbirths) for the 8‐year period and remained stable across the three CHD severity groups while the live birth prevalence was 60.2 per 10,000 births. There was considerable variation in the reported total CHD prevalence and the direction of trends by registry. A decreasing prevalence of CHD was observed for the Norway and England/Wales registries, whereas the CHD prevalence increased for registries in Italy and Croatia.

Conclusions

The total prevalence of CHD in Europe between the years 2008 and 2015 remained stable for all CHD and across the three CHD severity groups. The decreasing trend reported by previous studies has not continued. However, we found significant differences in the total and live birth prevalence by registry.
Analysis of incidence data in developmental toxicity studies: Statistical tests to account for litter effects in fetal defect data
Authors: Harris Shawn F. , McBride Sandra J. , Smith Marjolein V. , Cunny Helen C. , Shockley Keith R.
Published: November 2022

Background

When analyzing fetal defect incidence in laboratory animal studies, correlation in responses within litters (i.e., litter effects) can lead to increased false‐positive rates if litter effects are not incorporated into the analysis. Studies of fetal defects require analysis methods that are robust across a broad range of defect types, including those with zero or near‐zero incidence rates in control groups.

Methods

A simulation study compared power and false‐positive rates for six approaches across a range of background defect rates and litter size distributions. Statistical methods evaluated included ignoring the litter effect as well as parametric and nonparametric approaches based on litter proportions, generalized linear mixed models (GLMMs), the Rao–Scott Cochran–Armitage (RSCA) trend test, and a modification to the RSCA (mRSCA) introduced here to improve estimation at low background rates. These methods were also applied to a common and a rare defect from two prenatal developmental toxicology studies conducted by the National Toxicology Program (NTP).

Results

At background defect rates of 1%, the mRSCA and parametric litter proportion methods provided gains in power over the nonparametric litter proportion method, the GLMM method, and the RSCA method. Simulations involving litter loss in high‐dose groups showed loss of power for both litter proportion methods.

Conclusions

The mRSCA test developed here compares favorably with other litter‐based approaches and is robust across a range of background defect rates and litter size distributions, making it a practical choice for prenatal developmental toxicology studies involving both common and rare fetal defects.
Using concurrent reinforcement schedules and prompts to produce varied manding: A replication of Seaver and Bourret (2020)
Authors: Seaver Jonathan P. , Kelly Michelle P. , Murray Clodagh M. , Baruni Rasha R.
Published: November 2022

Deficits in social communication and restricted, repetitive patterns of behavior or interests are displayed by individuals with autism spectrum disorder (ASD; American Psychiatric Association, 2013). Given this, individuals with ASD may engage with a limited variety of reinforcers. Treatments designed to modify the distribution of manding may allow individuals to contact a broad array of reinforcers that could improve the quality of life for individuals with ASD (Seaver & Bourret, 2020). The purpose of the current study was to replicate the results of Seaver and Bourret (2020) by evaluating the effects of manipulating concurrent schedules of reinforcement, alone and with prompts, on the rates of target manding in three boys with ASD, aged 7–9 years, in the United Arab Emirates. All three participants showed increased target manding following intervention. The findings support the use of concurrent reinforcement schedules and prompts as an effective intervention to produce varied manding.
Acceptability and feasibility of using avatar‐based virtual world software as an adjunct to clinical interventions, training, and reflective practice in a medium secure setting: A qualitative interview study
Authors: Mason Katy , Bicknell Sarah , Kreutzer Ernest , Wood Ashleigh , Hurlow Jonathan
Published: November 2022

Background

Relationships are at the core of recovery, particularly in secure services where patients have usually had difficulties with authority figures and can have mentalisation deficits. Early indications are that avatar‐based virtual world software may help facilitate communication and emotional expression.

Aims

To establish the feasibility of using avatar‐based virtual world software in a medium secure hospital, adjunctive to standard staff‐patient interactions during clinical interventions and staff activities including reflective practice and training; to explore patient, staff participant and facilitator experiences using it.

Methods

Use of the software was offered across an 89‐bedded unit as an optional adjunct to clinical interventions, reflective practice and training sessions. Qualitative data were collected using semi‐structured interviews and analysed using thematic analysis. Volunteer sampling was used. Five patients volunteered and were matched with an equal number of staff facilitators and participants.

Results

Eighty four sessions were completed using the avatar software with between 1 and 11 participant(s) per session, totalling 347 participant sessions. No adverse events occurred relatable to the sessions. An overarching theme of ‘adding value’ emerged, encompassing subthemes such as ‘concrete visual presence and imagery’, ‘mentalisation processes’ and ‘enhanced focus, depth and problem solving’. Experiences of added value were affected by moderators which were ‘power and relationship dynamics’, the ‘ability to use software’, ‘practical processes’ and ‘literacy’.

Conclusions

Avatar software is feasible to implement, acceptable to patients and staff and may offer an opportunity to aid mentalisation and reflection. By definition, everyone engaging in this study was a volunteer, even an enthusiast, so it would now be useful to extend evaluation to those who need some encouragement to use avatar software. Research to quantify benefits and establish the cost impact is now indicated, as our findings show it may offer a novel way of connecting with hard‐to‐reach patient groups.
Effect of substitution of sugar with xylitol and maltitol on characteristics and quality of cakes: A systematic review and meta‐analysis
Authors: Davoudi Mahshad , Damroudi Yasamin , Afsharnia Reyhane , Vanin Fernanda M. , Javanmardi Fardin , Mousavi Khaneghah Amin
Published: November 2022

Background and Objectives

Bakery products have the highest amount of sugar among food products. The cake is known as one of the most popular bakery products. Therefore, substituting sugar in cakes can be one of the ways to reduce product energy and prevent weight gain. In this study, comprehensive research was conducted to investigate the effect of replacing sugar with xylitol and maltitol on the quality of cakes. PubMed, Web of Science, Google Scholar, Scopus, ProQuest, and Food Science and Technology Abstracts databases, were searched to find related studies.

Finding

A total of 617 articles were collected from different databases, and after checking with inclusion criteria, finally, 10 articles were included for meta‐analysis.

Conclusion

Due to different percentages of xylitol and maltitol being used to replace sucrose in different studies, the studies were combined in subgroups with different replacement percentages. No significant difference was observed in most subgroups due to replacing sucrose with maltitol and xylitol.

Significance and Novelty

These results show that xylitol and maltitol have the same characteristics as sucrose, and their substitution in the cake does not cause a significant difference in the characteristics of the cake.
Complexation Preferences of Dynamic Constitutional Frameworks as Adaptive Gene Vectors
Authors: Su Dan‐Dan , Gervais Virginie , Ulrich Sébastien , Barboiu Mihail
Published: November 2022

The growing applications of therapeutic nucleic acids requires the concomitant development of vectors that are optimized to complex one type of nucleic acid, forming nanoparticles suitable for further trafficking and delivery. While fine‐tuning a vector by molecular engineering to obtain a particular nanoscale organization at the nanoparticle level can be a challenging endeavor, we turned the situation around and instead screened the complexation preferences of dynamic constitutional frameworks toward different types of DNAs. Dynamic constitutional frameworks (DCF) are recently‐identified vectors by our group that can be prepared in a versatile manner through dynamic covalent chemistry. Herein, we designed and synthesized 40 new DCFs that vary in hydrophilic/hydrophobic balance, number of cationic headgroups. The results of DNA complexation obtained through gel electrophoresis and fluorescent displacement assays reveal binding preferences of different DCFs toward different DNAs. The formation of compact spherical architectures with an optimal diameter of 100–200 nm suggests that condensation into nanoparticles is more effective for longer PEG chains and PEI groups that induce a better binding performance in the presence of DNA targets.
A Triazolium‐Anchored Self‐Immolative Linker Enables Self‐Assembly‐Driven siRNA Binding and Esterase‐Induced Release
Authors: Hollstein Selina , Ali Lamiaa M. A. , Coste Maëva , Vogel Julian , Bettache Nadir , Ulrich Sébastien , von Delius Max
Published: November 2022

The increased importance of RNA‐based therapeutics comes with a need to develop next‐generation stimuli‐responsive systems capable of binding, transporting and releasing RNA oligomers. In this work, we describe triazolium‐based amphiphiles capable of siRNA binding and enzyme‐responsive release of the nucleic acid payload. In aqueous medium, the amphiphile self‐assembles into nanocarriers that can disintegrate upon the addition of esterase. Key to the molecular design is a self‐immolative linker that is anchored to the triazolium moiety and acts as a positively‐charged polar head group. We demonstrate that addition of esterase leads to a degradation cascade of the linker, leaving the neutral triazole compound unable to form complexes and therefore releasing the negatively‐charged siRNA. The reported molecular design and overall approach may have broad utility beyond this proof‐of‐principle study, because the underlying CuAAC “click” chemistry allows bringing together three groups very efficiently as well as cleaving off one of the three groups under the mild action of an esterase enzyme.
Causal risk factors for asthma in Mendelian randomization studies: A systematic review and meta‐analysis
Authors: Mikkelsen Heidi , Landt Eskild Morten , Benn Marianne , Nordestgaard Børge Grønne , Dahl Morten
Published: November 2022

Background

Several risk factors for asthma have been proposed; however, the causality of these associations is sometimes unclear. Mendelian randomization is a powerful epidemiological approach that can help elucidate the causality of risk factors. The aim of the present study was to identify causal risk factors for asthma through Mendelian Randomization studies.

Methods

A systematic search of PubMed and EMBASE was conducted, to identify studies investigating risk factors for asthma or respiratory allergies through Mendelian Randomization. When two or more studies investigated the same risk factor a meta‐analysis was conducted. Of 239 studies initially identified, 41 were included.

Results

A causal association between adiposity and adult asthma risk was found in 10 out of 12 studies with a summary risk ratio of 1.05 per kg/m2increase in BMI (95% CI: 1.03–1.07). Puberty timing (n = 3), alcohol (n = 2), and linoleic acid (n = 1) had causal effects on asthma risk, while vitamins/minerals (n = 6) showed no consistent effect on asthma. The effect of smoking on adult asthma conflicted between studies. Several of the significant associations of asthma with immune related proteins (n = 5) and depression (n = 2) investigated through multiple traits analyses could generally benefit from replications in independent datasets.

Conclusion

This systematic review and meta‐analysis found evidence for causal effects of adiposity, puberty timing, linoleic acid, alcohol, immune related proteins, and depression on risk of asthma.
Immune scoring model based on immune cell infiltration to predict prognosis in diffuse large B‐cell lymphoma
Authors: Yang Jincai , Yu Lili , Man Jianchen , Chen Huiling , Zhou Lanxia , Zhao Li
Published: November 2022

Background

Diffuse large B‐cell lymphoma (DLBCL) is genetically heterogeneous in both pathogenesis and clinical symptoms. Most studies on tumor prognosis have not fully considered the role of tumor‐infiltrating immune cells. This study focused on the role of tumor‐infiltrating immune cells in the prognosis of DLBCL.

Methods

The GSE10846 data set from the National Center for Biotechnology Information’s Gene Expression Omnibus was used as the training set, and the GSE53786 data set was used as the validation set. The proportion of immune cells in each sample was calculated with the CIBERSORT algorithm using R software. After 10 immune cells were screened out (activated memory CD4 positive T cells, follicular helper T cells, regulatory T cells, gamma‐delta T cells, activated natural killer cells, M0 macrophages, M2 macrophages, resting dendritic cells, and eosinophils) by univariate Cox analysis, Lasso regression and random forest sampling analyses were performed, the intersecting immune cells were selected for multifactor Cox analysis, and a predictive model was constructed combined with clinical information. Predictive performance was assessed using survival analysis and time‐dependent receiver operating characteristic curve analysis.

Results

In total, 539 samples were included in this study, and samples with p < .05 were retained using CIBERSORT. Univariate Cox analysis yielded 10 cell types that were associated with overall survival. Two kinds of immune cells were obtained by Lasso regression combined with the random forest method and were used to construct a prognostic model combined with clinical information. The reliability of the model was validated in two data sets.

Conclusions

The immune cell‐based prediction model constructed by the authors can effectively predict the prognostic outcome of patients with DLBCL, whereas nomogram plots can help clinicians assess the probability of long‐term survival.
A multidisciplinary pediatric oncofertility team improves fertility preservation and counseling across 7 years
Authors: Ligon John A. , Hayashi Masanori , Ciampa Devon , Kramer Cara , Guastella Alfredo , Fuchs Robert J. , Herati Amin S. , Christianson Mindy S. , Chen Allen R.
Published: November 2022

Background

Oncofertility is a developing field of increasing importance, particularly in pediatric oncology, where most patients are likely to survive long‐term and have not yet had the opportunity to have children.

Aims

We performed a quality improvement initiative to increase our rates of fertility preservation counseling and referral through the implementation of a pediatric oncofertility team, and we report outcomes 7 years following implementation of our initiative.

Methods and results

We compare our baseline oncofertility survey to 44 post‐intervention survey respondents and electronic medical record documentation for 149 patients treated in 2019. Ninety‐five percent of post‐intervention survey respondents recalled fertility counseling (baseline 70%, p = .004) and 89.3% were appropriately referred for fertility preservation (baseline 50%, p = .017). Counseling was documented in 60.4% of charts; 81% of patients analyzed by chart review were appropriately referred for fertility preservation. Fertility preservation outcomes differed by sex assigned at birth.

Conclusion

Creation of an oncofertility team produced improvements in fertility counseling and fertility preservation referral across an extended period of time.
Dynamical and Mechanical Insights into the Li(2S)+ HCl() Reaction: A Detailed Quantum Wavepacket Study
Authors: Yeswanth Kumar Santhakumar , Padmanaban Ramanathan
Published: November 2022

Quantum wave packet dynamics of the Li(2S)+HCl(
) reaction in its electronic ground state is studied. The initial state‐selected and energy‐resolved dynamical attributes such as reaction probability, integral cross section, and thermal rate constant for the Cl‐abstraction and H‐abstraction pathways are reported. All partial wave contributions of J up to 120 were found to be necessary for the title reaction up to the collision energy of ∼1.0 eV. The dynamical results reveal that the Cl‐abstraction is more favored over the H‐abstraction for the different rovibrational (v, j) excitations. Due to the existence of an early barrier in the potential energy surface, the cross sections increase with increasing collision energy. The rate constants also monotonously increase with temperature for both channels. Resonances are identified and characterized in terms of eigenfunctions and lifetimes. Nearly 120 well‐resolved eigenstates are reported for the LiHCl complex, and they are categorized as van der Waals (vdW), barrier and product states according to the nodal progressions along (R, r, γ). The vdW resonances reveal a local‐mode behavior of quasibound type at low energies and extended progressions at high energies. Further, the single‐quantized periodic orbit type is also observed in the barrier region, which decays very fast. Finally, the lifetime analysis reveals that the vdW resonances can survive as long as ∼2.2 ps, which is much longer than the lifetime of the resonances in the barrier region.
Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium‐Ion Batteries**
Authors: Fiesinger Florian , Gaissmaier Daniel , van den Borg Matthias , Beßner Julian , van Duin Adri C. T. , Jacob Timo
Published: November 2022

One of the key challenges preventing the breakthrough of magnesium‐ion batteries (MIB) is the formation of a passivating boundary layer at the Mg anode. To describe the initial steps of Mg anode degradation by O2 impurities, a Mg/O ReaxFF (force field for reactive systems) parameter set was developed capable of accurately modeling the bulk, surface, adsorption, and diffusion properties of metallic Mg and the salt MgO. It is shown that O2 immediately dissociates upon first contact with the Mg anode (modeled as Mg(0001), Mg(10
0)A, and Mg(10
1)), heating the surface to several 1000 K. The high temperature assists the further oxidation and forms a rock salt interphase intersected by several grain boundaries. Among the Mg surface terminations, Mg(10
0)A is the most reactive, forming an MgO layer with a thickness of up to 25 Å. The trained force field can be used to model the ongoing reactions in Mg–air batteries but also to study the oxidation of magnesium metal in general.
A case of bone metastasis of hepatocellular carcinoma: Mallory hyaline bodies can lead to the correct cytological diagnosis
Authors: Kawasaki Makoto , Shioya Akihiro , Takata Mao , Tsubata Yumi , Okanemasa Yoshiiku , Takenaka Michiho , Terauchi Toshie , Yamashita Manabu , Kumagai Motona , Yamada Sohsuke
Published: November 2022

Hepatocellular carcinoma (HCC) accounts for most primary tumors of the liver. Although bone metastasis does not occur in a high percentage of patients, bone metastasis is often found first, which leads to the diagnosis of HCC. In this report, we describe a case of bone metastasis from HCC in which bone lesions were detected incidentally, and in which a cytological diagnosis was difficult to make. The patient was a 78‐year‐old man with a history of renal dysfunction after orthopedic surgery. He underwent a thorough examination after a bone tumor was incidentally found on abdominal CT. Plasmacytoma was suspected. Fine needle aspiration cytology revealed irregular clusters of medium‐to‐large atypical epithelioid polygonal cells with relatively abundant eosinophilic, somewhat granular cytoplasm, and indistinct cell borders, which led to a diagnosis of malignancy. Histologically and immunohistochemically, the tumor was diagnosed as bone metastasis of HCC. Re‐examination of the cytological specimen revealed characteristic Mallory hyaline bodies (MHBs). Immunohistochemistry using a cell transfer method revealed that they were positive for low molecular weight cytokeratin, Cam5.2, in a densely granular fashion. In this case, the cytological diagnosis of HCC was difficult to make due to the unclear cytoplasmic borders and absence of bile pigment. However, the identification of MHBs can potentially guide me to the correct cytological diagnosis.
Minor red blood cell antigen phenotyping of athletes sampled in international competitions
Authors: Cristina Mirotti Luciana , Renovato‐Martins Mariana , Du Rocher‐Silva Bárbara , Dudenhoeffer‐Carneiro Ana Carolina , Soares Felipe , Rahaman Khandoker Asiqur , Hasan Mahbub , Muresan Anca Raluca , Kwon Oh‐Seung , Son Junghyun John , Pereira Henrique Marcelo Gualberto
Published: November 2022

Blood transfusion is performed by cheating athletes to rapidly increase oxygen delivery to exercise muscles and enhance their performance. This method is banned by the World Anti‐doping Agency (WADA). Heterologous or allogenic blood transfusion happens when blood from a different person is transfused. The method used to detect this type of doping is based on flow cytometry, by identifying variations in blood group minor antigens present on the red blood cells' surface. Transfusion practices have regained interest since the introduction of human recombinant erythropoietin detection method. It has been reported that the number of occurrences of two athletes sharing an identical phenotype in the same sport was five times higher than the theoretical populational probability. The present work describes the prevalence of 10 erythrocytes surface antigens in a population of 261 athletes from all five continents. The matching phenotype per sport is also described.
EMCDDA framework and practical guidance for naming synthetic cannabinoids
Authors: Pulver Benedikt , Fischmann Svenja , Gallegos Ana , Christie Rachel
Published: November 2022

Synthetic cannabinoids (SCs), often sold as “legal” replacements for cannabis, are the largest group of new psychoactive substances monitored by the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA). Currently, close to 240 structurally heterogeneous SCs are monitored through the European Union (EU) Early Warning System, and attributing consistent, informative, and user‐friendly names to SCs has been a challenge in the past. Over time, several naming conventions have been employed with the aim of making SCs more easily recognizable by non‐chemists, including regulators. To achieve this, the names assigned need to contain detailed information on the structural features present in the substance.

This work provides a theoretical framework and a practical hands‐on guideline for consistent naming of SCs, which is easy to understand and can be applied by the forensic community, researchers, clinical practitioners, and policy‐makers. The proposed framework builds on the established letter code system for molecular building blocks (core, linker, linked group, and tail) implemented by the EMCDDA in 2013 and has been expanded to incorporate additional structural features through substitution. The scope of the issue of attributing semi‐systematic code names is illustrated, and earlier approaches used for naming SCs are discussed. The concepts and rules of the EMCDDA framework are described through a flowchart that provides a basis for naming new SCs, a graphical overview of the chemical diversity of SCs, and a detailed list of the SCs identified in the EU by the Early Warning System of the EMCDDA for reference.
Knowledge and perceptions of rural and urban communities towards small protected areas: Insights from Ghana
Authors: Afriyie Jerry Owusu , Opare Michael Asare , Hejcmanová Pavla
Published: November 2022

Conservationists recognize that protected areas (PAs) have limited prospects without the involvement and support of local people. People inherently express positive perceptions to nature and support for wildlife conservation. Yet, people in rural and urban communities may differ in their knowledge and perceptions of benefits and costs of nearby small‐size PAs, which induce a vital impact on the effectiveness of PAs and conservation goal achievements. We investigated local people's knowledge, perceptions, and attitudes around rural PAs (Bomfobiri Wildlife Sanctuaries, Shai Hills Resource Reserve, and Ankasa Conservation Area) and urban PAs (Owabi Wildlife Sanctuaries) in Ghana. Based on a questionnaire survey (928 respondents) in communities surrounding the parks, the perception of benefits from PAs was mainly for ecological reasons and did not differ between PAs. However, the perception of costs incurred by PAs differed between urban and rural PAs. The locals of the urban PA perceived fewer costs (crop damage from wildlife) than those in rural areas. Although there were significant differences between the urban and rural PA respondents, most respondents had positive attitudes toward the PA. Fifty‐five percent of the total respondents were satisfied with the active law enforcement carried out by PA staff to protect biodiversity. However, 41% and 33% of respondents expressed discontent with restrictions on the use of natural resources within PAs and lack of involvement in decision‐making, respectively. Of the sociodemographic factors investigated in all parks, men were more satisfied with the policies and governance of PAs than women due to the greater participation of men in many outdoor activities. Positive attitudes toward PAs suggest that despite conflicts, there is a straightforward understanding by local people about healthy ecosystems, which creates a common ground between conservationists and local communities for successful conservation in PAs.
High‐performance Flexible Symmetric Supercapacitor Based on Heterostructured PANI@MoS2 Nanocomposite Electrode
Authors: Xu Yuandong , Liu Binyang , Dong Chaoyang , Feng Haoyang , Wei Yajun , Zhang Xia
Published: November 2022

Three‐dimensional (3D) heterostructured molybdenum disulfide (MoS2) is used as base materials for aniline monomer in situ polymerization on its surface. It is found that the aniline addition has a remarkable effect on the energy storage of the final compounds due to the improvement of the conductivity and structure stability combined with the synergistic effect between the two types of species. The optimal compound of PANI@MoS2‐150 not only shows a high capacitance value of 801.4 F ⋅ g−1 at a current density of 0.5 A ⋅ g−1 but also provides a high retention rate of 77.4 % after 10,000 cycles. The capacitance fading may be due to the increase of the internal resistance analyzed by EIS. Furthermore, a flexible symmetric supercapacitor based on PANI@MoS2‐150 has also been fabricated and the specific capacitance reaches 105 F ⋅ g−1 at a current density of 1 A ⋅ g−1. Impressively, the capacitance retention is larger than 100 % undergoing 10,000 cycles. Besides, the highest energy density of 21 Wh ⋅ kg−1 was obtained. Additionally, the fabricated symmetric supercapacitor demonstrates excellent flexibility.
Strong Photoelectric Properties of Mn‐Based Seleniumstannates with Alkali Metals as Structure‐Directing Agents
Authors: Teri Gele , Liu Xin , Li Na , Shele Muge , E Namila , Qi Liming , Bai Sagala , Baiyin Menghe
Published: November 2022

In recent years, chalcogenides have received a lot of attention because of their potential applications as photoelectric material. This work describes the synthesis of the quaternary seleniumstannates Cs2MnSnSe4 (1) and Rb2MnSnSe4 (2) using solvothermal methods. The structure of compound 1 consists of charge‐balanced Cs+ cation and one‐dimensional (1D) anion [MnSnSe4]n2− chain. Compound 2 possesses a unique two‐dimensional (2D) anion [MnSnSe4]n2− layer. It is noteworthy that the compounds exhibit a strong photocurrent response (ca. 45 μA/cm2 (1), ca. 80 μA/cm2 (2)). Moreover, methylene blue (MB) was investigated for its photocatalytic degradation properties. In order to better understand the relationship between optical properties and electronic structure, a theoretical study was conducted.
100 Years of Vitamin E: From Discovery to Commercialization
Authors: Müller Marc‐André , Schäfer Christian , Litta Gilberto , Klünter Anna‐Maria , Traber Maret G. , Wyss Adrian , Ralla Theo , Eggersdorfer Manfred , Bonrath Werner
Published: November 2022

2022 marks the centenary of the discovery of vitamin E by Evans and Bishop, an important milestone in vitamin research. An enormous amount of scientific data related to the importance of its activity has been published on this micronutrient. Globally, researchers from industry and academia have contributed to improve and implement highly efficient and commercially viable production processes for vitamin E. All processes share a common final step, but differ in the generation of their key building blocks. Today, Vitamin E, accounts for a worldwide production of >75.000 t/a. Vitamin E is applied predominantly as feed supplement for various animal species and in addition is used in a variety of human applications. Moreover, its impressive antioxidative behavior enables frequent use as stabilizing ingredient in many product forms and final consumer applications. This review will provide the current state of science, with clear focus on highlighting the different routes for industrial syntheses of vitamin E. Furthermore, approaches directed towards successful product form development including suitable auxiliary substances combined with appropriate formulation technologies, as well as a broad variety of applications in animal and human nutrition and health will be discussed. Insights on isolation approaches, biosynthesis, and future trends complete the status of Vitamin E research.
Continuous Transport of Zn(II) by Ammonium Chloride Media via Supported Liquid Membrane System
Authors: Chen Long , Dang Weiqi , Lin Xiaohui , Chen Gen
Published: November 2022

With the gradual depletion of traditional zinc resources, the full use of various non‐traditional zinc‐containing resources has received intensive attention. However, the efficient recovery of zinc ions with low concentrations remains challenging. Here efficient and continuous recovery of zinc ions in ammoniacal chloride media by a flat supported liquid membrane system is achieved, using Cyanex923 and TBP mixed extractant as the membrane phase. This article discusses the synergistic effect between Aliquat336, Cyanex923 and TBP, the effects of feed pH, total ammonia concentration, Cl− concentration and temperature on Zn(II) transport.
Self‐powered 2D nanofluidic graphene pressure sensor with Serosa‐Mimetic structure
Authors: Ren Ziqi , Zhang Hang , Liu Nishuang , Lei Dandan , Zhang Qixiang , Su Tuoyi , Wang Luoxin , Su Jun , Gao Yihua
Published: November 2022

High‐performance self‐powered pressure sensors have attracted much attention due to their potential applications in bionic limbs, healthy motion detection, medical devices, and other fields. However, existing devices are either imperceptible to the pressure direction or require an external power source as a driving force. Here, a pressure sensor inspired by the structure of serosal membranes is reported, which contains a novel partially reduced graphene oxide (prGO) membrane. In this Serosa‐Mimetic structured membrane, a narrow “Trail” structure containing COOH is considered as an ion filter and ion conductor, which facilitates the directional migration of cations under external stimuli, resulting in a directional flow of net charges, resulting in current (or voltage) signal. Therefore, the prGO‐Trail membrane can be used as an ion transport layer to facilitate self‐powered pressure sensing. This pressure‐driven output voltage (and current), produced by ion selectivity, is linear with the applied pressure. The fabricated self‐powered bionic pressure sensor has good performance, the optimized response sensitivity is 0.282 nA Pa−1, the response/recovery time is 90/110 ms, and long‐term stability (1000 cycles), which provides a meaningful design idea and a larger open field of vision for the next generation of self‐driving bionic pressure sensors.

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Evaluating the effect of digital game‐based nutrition education on anemia indicators in adolescent girls: A randomized clinical trial
Authors: Ghadam Omid Sabet , Sohrabi Zahra , Mehrabi Manoosh , Fararouei Mohammad , Shahraki Mansour , Hejazi Najme , Clark Cain C. T. , Mehrabani Sanaz , Gerami Shirin , Nouri Mehran
Published: November 2022

Iron deficiency anemia is the most common type of micronutrient deficiency in the world. Adolescence represents a period of increased risk of iron deficiency. Therefore, we aimed to determine the impact of nutrition education by a digital game on markers of iron‐deficient anemia in adolescent girls. In this study, 176 adolescent girls were randomly dichotomized into the intervention and control groups. At the beginning and the end of the intervention, knowledge, attitude, and practice of both groups were assessed by a questionnaire. Girls in the intervention group received the necessary education through a digital game during a 14‐week period, while those in the control group received basic nutritional education through PowerPoint and pamphlets. Additionally, serum transferrin, serum iron, transferrin saturation, ferritin, CBC difference, and total iron binding capacity (TIBC) tests were checked. In this study, nutrition education significantly increased the level of knowledge, attitude, and practice of adolescent girls regarding their diet (p ˂ .05). Hemoglobin level was also significantly raised (p ˂ .05). However, no significant effect was observed on other markers of iron‐deficient anemia, such as serum iron, TIBC, and hematocrit, in the intervention group compared with the control group (p ˃ .05). The results of this study indicated the positive impact of nutrition education based on digital game on knowledge, attitude, and practice scores, as well as a significant difference in hemoglobin. It is recommended that educational games be designed for students in the future to promote health and nutrition information.
Dynamic estimates of geologic CO2storage resources in the Illinois Basin constrained by reinjectivity of brine extracted for pressure management
Authors: Plampin Michelle R. , Anderson Steven T. , Finsterle Stefan , Cahan Steven M.
Published: November 2022

Geologic carbon storage (GCS) is likely to be an important part of global efforts to decarbonize the energy industry. Widespread deployment of GCS relies on strategies to maximize CO2injection rates while minimizing reservoir pressurization that could induce seismicity and/or fluid leakage into groundwater resources. Brine extraction from CO2storage formations with subsurface reinjection elsewhere could mitigate pressure buildup associated with GCS. Therefore, evaluation of CO2storage resources should consider the injectivity of produced brine in geologic layers above or below the CO2storage formation. For this study, a methodology was developed to estimate brine injectivity from formation depth and thickness using flow modeling and optimization techniques. The methodology was demonstrated in the Illinois Basin, where GCS in the Mt. Simon Sandstone is ongoing. Based on pressure constraints and considering only regions of the shallower units where salinity and sealing conditions were met, maximum brine injection rates were estimated within the Mt. Simon and three overlying hydrostratigraphic layers. Results indicate that a large area exists where CO2injectivity could be optimized by brine extraction and reinjection. © 2022 The Authors.Greenhouse Gases: Science and Technologypublished by Society of Chemical Industry and John Wiley & Sons Ltd.
Mental distress and incident functional disability among a rural ageing population in South Africa
Authors: Pengpid Supa , Peltzer Karl
Published: November 2022

Objectives

The aim of the study was to investigate the association between mental symptoms and incident functional disability among middle‐age and older adults in South Africa.

Methods

Longitudinal data from two consecutive population surveys (2014/2015–2018/2019) in Agincourt, South Africa, were analysed.

Results

In total, 298 of 3813 participants without functional disability in wave 1 (8.8%) had functional disability in wave 2. The prevalence of baseline functional disability was 9.1%.

In the fully adjusted models for people without functional disability at baseline, depressive symptoms (AOR: 1.74, 95% CI: 1.08–2.80) among men and lower life satisfaction among men (AOR: 0.86, 95% CI: 0.80–0.93) and among women (AOR: 0.90, 95% CI: 0.83–0.98) increased the odds of incident functional disability. Posttraumatic stress disorder symptoms, poor sleep quality, restless sleep, and loneliness were not significantly associated with incident functional disability.

Conclusions

Depressive symptoms among men and lower life satisfaction among both sexes were independently associated with incident functional disability in ageing rural South Africans.