bluuebunny/crossref_metadata_2025 huggingface dataset:
Vibration behavior of a carbon fiber‐reinforced polymer composite sandwich panel: Rhombus core versus elliptical core
Authors: Eratbeni Mehdi Gholizadeh , Rostamiyan Yasser
Published: December 2022

Exploring lightweight sandwich structures with excellent load‐bearing and vibration damping performances is one of the important topics in structural and functional applications. The aim of the present research is to design, fabricate carbon fiber‐reinforced polymer (CFRP) sandwich panels with rhombus cores and investigate their modal characteristics by comparing with the traditional elliptical sandwich structure experimentally and numerically. In order to obtain modal properties including natural frequencies, damping ratio, mode shapes, and frequency responses of the fabricated structure, modal experiment is performed using a modal hammer with an acceleration sensor. Furthermore, a finite element method is developed to validate the precision of the experimental data. It is recognized that the finite element results are in remarkably great agreement with those obtained by modal experiment. The experimental results showed that the natural frequencies of the sandwich structures with rhombus are much higher than that of the elliptical sandwich structures under free–free boundary conditions and equal relative density of the truss cores.
Trends in dispensed prescriptions for opioids, sedatives, benzodiazepines, gabapentin, and stimulants to children by general dentists, 2012–2019
Authors: Callaway Kim Katherine , Khouja Tumader , Burgette Jacqueline M. , Evans Charlesnika T. , Calip Gregory S. , Gellad Walid F. , Suda Katie J.
Published: December 2022

Purpose

Opioids, benzodiazepines and sedatives can manage dental pain, fear and anxiety but have a narrow margin of safety in children. General dentists may inappropriately prescribe gabapentin and stimulants. National evidence on dispensing rates of these high‐alert medicines by dentists to children is limited.

Methods

We utilize join‐point regression to identify changes in fills for opioids, sedatives, benzodiazepines, gabapentin, and stimulants to children <18 years from 2012 to 2019 in a national dataset comprising 92% of dispensed outpatient prescriptions by dentists.

Results

From 2012 to 2019, 3.8 million children filled prescriptions for high‐alert drugs from general dentists. National quarterly dispensing of high‐alert drugs decreased 63.1%, from 10456.0 to 3858.8 days per million. Opioids accounted for 69.4% of high‐alert prescriptions. From 2012 to 2019, fills for opioids, sedatives, benzodiazepines, and stimulants decreased by 65.2% (7651.8 to 2662.7), 43.4% (810.9 to 458.7), 43.6% (785.7 to 442.7) and 89.3% (825.6 to 88.6 days per million), respectively. Gabapentin increased 8.1% (121.8 to 131.7 days per million). A significant decrease in high‐alert fills occurred in 2016, (−6.0% per quarter vs. ‐1.6% pre‐2016, P‐value<0.001), especially for opioids (−7.0% vs. ‐1.2%, P‐value<0.001). Older teenagers (15–17 years) received 42.5% of high‐alert prescriptions. Low‐income counties in the South were overrepresented among top‐prescribing areas in 2019.

Conclusions

We found promising national decreases in fills for high‐alert medicines to children by general dentists from 2012 to 2019. However, older teenagers and children in some counties continued to receive dental opioids at high rates. Future efforts should address non‐evidence‐based pain management in these groups.
Preparation of form‐stable silica/polyethylene glycol composites using flash‐drying for large‐scale melt‐spun fibers with thermal management property
Authors: Chen Ziye , Zhou Jialiang , Jiang Yi , Hu Zexu , Yin Siyu , Wang Qianqian , Innocent Mugaanire Tendo , Xiang Hengxue , Zhu Meifang
Published: December 2022

The combination of phase change materials (PCMs) with fibers can afford smart fibers with thermal management properties. However, the issues of easy leakage and poor thermal stability of PCMs often limit their use in high‐temperature spinning. Herein, we report a form‐stable PCM of spherical SiO2/PEG composite that was prepared through flash‐drying using inorganic dendritic silica (D‐SiO2) as the core skeleton to support organic polyethylene glycol (PEG). The SiO2/PEG composite not only presents high crystallization enthalpy (101.35 J/g), but also maintains a superior phase change stability. Meanwhile, it exhibits a significant temperature hysteresis effect during heating and cooling, and the endothermic and exothermic time are 381.95 and 293.57 s, respectively. Because the degradation temperature of 300°C for SiO2/PEG is higher than the melt processing temperature of 240–270°C for the preparation of polyamide 6 (PA6) fibers, PA6/SiO2/PEG fibers were prepared using melt spinning. The prepared PA6/SiO2/PEG fibers exhibit high latent heat (17.14 J/g), outstanding thermal cycling stability and satisfactory temperature adjustment properties, and the temperature‐adjustment time of 458.97 s and temperature difference of 10.68°C under the thermal environment. Moreover, the tensile strength of PCFs‐20% reached 1.97 cN/dtex after drawing, which make PCFs meet the requirements of uses in textile industries.
Improving the consistency of environmental stress cracking resistance testing for polyethylenes
Authors: Gritsichine Vladimir , Marway Heera S. , Vlachopoulos John , Thompson Michael R.
Published: December 2022

This paper explores a novel modification to the Bell Test (ASTM‐D1693) for minimizing its variability in failure time by the introduction of heat notching. The new notching technique for assessing environmental stress cracking resistance was evaluated with four different grades of polyethylene and compared to results using the ASTM standard for notching. Differences in both the failure time and the associated variability were witnessed with this technique, evaluated at various annealing conditions between the cold crystallization temperature and crystal melting temperature of a polyethylene. Best results were found using the midpoint temperature between these two conditions for the heated blade. Localized elastic moduli for the notched samples were obtained by force mapping via atomic force microscopy, showing decreased crystallinity content at the point of concentrated stress was favored for more consistent failure times. The work highlights the critical nature of local phase morphology at the notch in the assessment of environmental stress cracking resistance.
Modified NPOH Equation Showing Terminal Effect: Boiling point of homologs monosubstituted alkanes (RX)
Authors: Cao Chao‐Tun , Zhang Lanyu , Cao Chenzhong
Published: December 2022

Effect of terminal group on the changes in physicochemical properties (P(n)) of homologs monosubstituted alkanes (RX) is still unclear topic. In this work, take the boiling points (Tb) of 15 homologs RX as examples; the effects of terminal X on the Tb were investigated, in which the X involves F, Cl, Br, I, OH, CN, NH2, CO2H, CHO, SH, C6H5, CH=CH2, C≡CH, c‐C5H9, and c‐C6H11. A general equation expressing the Tb of the homologs RX was proposed, named the NPOH Equation Showing Terminal Effect, as follows: ln (Tb (n)) = a + b(n‐1) + cSCNE + dItg, where Itg is the terminal effect and its attenuation coefficient is 1/n. The results show that this equation is more accurate to express the Tb change of homologs RX than the NPOH equation in our previous paper. The parameter Itg has important influence on the Tb of RX, while it has less influence on the Tb of homologs α,ω‐disubstituted alkanes XRX and can be ignored. The Tb changes of 15 homologs RX and homolog alkane can be expressed using a general equation (Equation 11 in text). The effect of intramolecular charge‐induced dipole μind on the boiling point of homologs RX cannot be ignored.
Improving early phase oncology clinical trial design: An opportunity for statisticians
Authors: Phillips Alan , Mondal Shalini
Published: December 2022

This short communication supports that rule‐based study designs such as the ‘3 + 3’ study design are still being used in early phase oncology development programs despite their inferior performance to model‐based and model‐assisted designs. Statisticians have an opportunity to shape and improve early phase oncology drug development programs by introducing newer, more efficient study designs that estimate the Optimal Biological dose to their oncology trialist colleges.
Alprazolam safety in pregnancy
Authors: Lam Y. W. Francis
Published: December 2022

Benzodiazepines are commonly prescribed for the treatment of anxiety disorders, including in pregnant women. There is conflicting information in the research literature, however, regarding benzodiazepines’ safety when used during pregnancy, with concern over both pregnancy and neonatal outcomes. Animal data have suggested potential teratogenic risk associated with alprazolam exposure, including occurrence of cleft lip and palate and limb abnormalities in rat offspring.
Frequency‐domain‐based iterative learning control utilizing n‐best adaptive Fourier decomposition for nonrepetitive unknown iteration‐independent and iteration‐varying discrete time‐delay systems
Authors: Wen‐Yuan Fu
Published: December 2022

The bulk of well‐known control techniques for time‐delay systems are sensitive to the system's uncertainty. For unknown nonrepetitive iteration‐independent and iteration‐varying linear discrete time‐delay (LDTD) systems, an iterative learning control (ILC) design with a frequency domain identification technique is devised. The proposed ILC method is based on a novel n‐best adaptive Fourier decomposition (n‐BAFD) approach for approximating the unknown time‐delay transfer function. An extended anticipatory ILC law is developed that uses anticipatory time to compensate for both iteration‐independent and iteration‐varying time delays in the frequency domain for unknown nonrepetitive LDTD systems. Three examples are used to validate the proposed frequency‐domain‐based ILC method.
Confidence in COVID‐19 vaccines moderates the association between vaccination status and mental distress
Authors: Tan Chee Meng , Owuamalam Chuma , Sarma Vengadeshvaran J. , Ng Pek Kim
Published: December 2022

Previous research has demonstrated that becoming vaccinated with the Coronavirus vaccine may lower mental distress. However, it remains uncertain whether this relationship holds amid concerns of vaccine side effects and doubts of the vaccine's protective capabilities. We presented three studies that showed how vaccine confidence negatively influences the relationship between vaccine uptake and mental distress. Using two‐way fixed effects regression models, Study 1 analyzes longitudinal survey of respondents from Los Angeles County in the US, while Study 2 uses the same analytical strategy but generalises findings by analysing longitudinal data of participants across all 50 US states. Main results of both studies show that (i) vaccination uptake is linked with reduced mental distress among individuals with high vaccine confidence (ii) vaccine uptake has no effect on mental distress among individuals with low vaccine confidence. Lastly, Study 3 applies multilevel analysis to a large‐scale pseudo‐panel study of 15 developed countries. Results for the third study corroborate finding (i) but not (ii) in that the multinational study finds that vaccine uptake is actually associated with higher mental distress among individuals with low vaccine confidence. In sum, our paper shows that the palliative effect of vaccination on mental health only exists when vaccine confidence is high. Results are mixed on whether vaccination affects mental distress when individual vaccine confidence is low.
Developing biomedical engineering technologies for reproductive medicine
Authors: Zhu Yujuan , Kong Bin , Liu Rui , Zhao Yuanjin
Published: December 2022

Infertility is a rising global health issue with a far‐reaching impact on the socioeconomic livelihoods. As there are highly complex causes of male and female infertility, it is highly desired to promote and maintain reproductive health by the integration of advanced technologies. Biomedical engineering, a mature technology applied in the fields of biology and health care, has emerged as a powerful tool in the diagnosis and treatment of infertility. Nowadays, various promising biomedical engineering approaches are under investigation to address human infertility. Biomedical engineering approaches can not only improve our fundamental understanding of sperm and follicle development in bioengineered devices combined with microfabrication, biomaterials, and relevant cells, but also be applied to repair uterine, ovary, and cervicovaginal tissues and restore tissue function. Here, we introduce the infertility in male and female and provide a comprehensive summary of the various promising biomedical engineering technologies and their applications in reproductive medicine. Also, the challenges and prospects of biomedical engineering technologies for clinical transformation are discussed. We believe that this review will promote communications between engineers, biologists, and clinicians and potentially contribute to the clinical transformation of these innovative research works in the immediate future.
False negative of defects estimation in crowdsourced testing
Authors: Wu Kaishun , Shi Yaqing , Zhu Jing , Yao Yongming , Tang Shiqi
Published: December 2022

Estimating the population of defects is a key reference for completion evaluation in crowdsourced testing. Current studies commonly use the biological capture–recapture model (CRC model) to estimate the population of defects in crowdsourced tests with good results. However, the lack of consideration of false negatives for defects in existing studies leads to imprecise estimation of completion in crowdsourced testing, which in turn influences decision support during crowdsourced testing. This study analyzes the basic assumptions of the CRC model in biology and maps them to the field of crowdsourced testing, improves the Lincoln–Peterson estimator and sample coverage estimator utilizing false negative assumptions, and compares them with original estimators in 29 real crowdsourced testing projects. The experimental results show that our improved estimators can effectively reduce the estimation relative error of the population of defects caused by false negatives.
Successful management of cloud‐based global software development projects: A multivocal study
Authors: Akbar Muhammad Azeem , Khan Arif Ali , Mahmood Sajjad , Smolander Kari
Published: December 2022

Software industry is continuously exploring better ways to develop applications. A new phenomenon to achieve this is cloud‐based global software development (CGSD), which refers to the adoption of cloud computing services by organizations to support global software development projects. The CGSD approach affects the strategic and operational aspects of the way projects are managed. The objective of the study is to identify the success factors which contribute to management of CGSD projects. We carried out a multivocal literature review (MLR) to identify the success factors from the state‐of‐the‐art and the state‐of‐the‐practice in project management of CGSD projects. We identified 32 success factors that contribute to the management of CGSD projects. The findings of MLR indicate that time to market, continuous development, financial restructuring, and scalability are the most critical success factors for CGSD. Moreover, the findings of the study show that there is a positive correlation between the success factors reported in both formal literature and industry based gray literature. The findings of this study can assist the practitioners to develop the strategies needed for effective project management of CGSD projects.
Finding the variables that react: Relationships between ability beliefs and student achievement in an inquiry‐based introductory chemistry laboratory course
Authors: Wheeler Lindsay B. , Gonczi Amanda L.
Published: December 2022

This quantitative, exploratory study examined whether a Project‐Based Guided Inquiry (PBGI) chemistry laboratory course supported more incremental ability beliefs among students, examined achievement outcomes for students grouped based on changes in student‐reported chemistry ability beliefs from pre‐ to post‐course, and provided explanations for differences in achievement and chemistry ability beliefs. Data sources included pre/post surveys of 367 undergraduate students' and 18 teaching assistants' (TAs) content knowledge, ability beliefs, sociodemographics (e.g., gender, race), and prior chemistry experience. The hierarchical linear regression (HLR) model accounted for 27.4% of the variance in post‐content scores, with male students and students with more prior chemistry experience scoring significantly higher than their counterparts. Student ability beliefs was not a significant predictor of content knowledge at the end of the course. Women had a significant decrease in their ability beliefs while male students did not. Furthermore, there were significant differences in achievement depending upon whether and how students' chemistry ability beliefs changed during the course. HLR indicated that student race and TA research experience significantly predicted students' ability beliefs and accounted for 32.7% of variance in this model. Finally, students had more positive perceptions of their TA when their TA held more incremental ability beliefs. These results also indicate that redesigning undergraduate chemistry labs to a PBGI approach does not necessarily level the academic playing field for students who identified as Black, Hispanic, or Multi‐racial, women, or students with less chemistry experience. Providing additional scaffolding for students and developing professional learning experiences to explicitly support TAs incremental ability beliefs may be beneficial in reform‐based laboratory contexts. Further research is needed to understand who benefits from reform‐based instruction and for what reasons.
Tactile sensory processing as a precursor of executive attention: Toward early detection of attention impairments and neurodevelopmental disorders
Authors: Anquetil Marie , Roche‐Labarbe Nadège , Rossi Sandrine
Published: December 2022

Recent studies in developmental neuroscience tend to show the existence of neural attention networks from birth. Their construction is based on the first sensory experiences that allow us to learn the patterns of the world surrounding us and preserve our limited attentional resources. Touch is the first sensory modality to develop, although it is still little studied in developmental psychology in contrast to distal modalities such as audition or vision. Atypical tactile sensory processing at an early age could predict later attention dysfunction, both of them being part of the symptomatology of neurodevelopmental disorders (NDD). We review the state of knowledge on tactile sensory processing and its links with attention, executive attention (EA) in particular, and propose that abnormal tactile sensory processing at an early age could provide markers of EA dysfunctions, contributing to the early detection of NDD.

This article is categorized under:

Psychology > Attention
Impact of COVID-19 on Adolescent HIV Prevention and Treatment Services in the AHISA Network
Authors: Ahmed Charisse V. , Brooks Merrian J. , DeLong Stephanie M. , Zanoni Brian C. , Njuguna Irene , Beima-Sofie Kristin , Dow Dorothy E. , Shayo Aisa , Schreibman Alana , Chapman Jennifer , Chen Lydia , Mehta Shreya , Mbizvo Michael T. , Lowenthal Elizabeth D.
Published: December 2022

We investigated perceived impacts of COVID-19 on the delivery of adolescent HIV treatment and prevention services in sub-Saharan Africa (SSA) by administering a survey to members of the Adolescent HIV Prevention and Treatment Implementation Science Alliance (AHISA) from February to April 2021. We organized COVID-19 impacts, as perceived by AHISA teams, under three themes: service interruptions, service adjustments, and perceived individual-level health impacts. AHISA teams commonly reported interruptions to prevention programs, diagnostic testing, and access to antiretroviral therapy (ART). Common service adjustments included decentralization of ART refills, expanded multi-month ART distribution, and digital technology use. Perceived individual-level impacts included social isolation, loss to follow-up, food insecurity, poverty, and increases in adolescent pregnancies and sexually transmitted infections. The need for collaboration among stakeholders were commonly cited as lessons learned by AHISA teams. Survey findings highlight the need for implementation science research to evaluate the effects of pandemic-related HIV service adaptations in SSA.
Interpretable decision trees through MaxSAT
Authors: Alòs Josep , Ansótegui Carlos , Torres Eduard
Published: December 2022

We present an approach to improve the accuracy-interpretability trade-off of Machine Learning (ML) Decision Trees (DTs). In particular, we apply Maximum Satisfiability technology to compute Minimum Pure DTs (MPDTs). We improve the runtime of previous approaches and, show that these MPDTs can outperform the accuracy of DTs generated with the ML framework sklearn.
“It was Very Liberating”. Dialogic Literary Gatherings Supporting Mental Health Literacy
Authors: Zubiri-Esnaola Harkaitz , Racionero-Plaza Sandra , Fernández-Villardón Aitana , Carbonell Sara
Published: December 2022

Mental health is being reframed as a fundamental right for all people, and mental health literacy is a tool that can enable patients to gain the knowledge, personal skills, and confidence to take action to improve their mental health, and their lives overall. This exploratory study analysed the power of dialogic literary gatherings (DLGs) to foster it in a group of patients with mental health disorders who gathered for 1 h once a week to share their readings of literature masterpieces. During the year-long study, a total of 140 patients participated in the DLGs in groups of 12 to 15 people. Results suggest that DLGs promoted the development of the participants’ mental health literacy and produced gains in emotional and social wellbeing by strengthening reading, speaking, and listening skills, fostering supportive relations, contributing to overcoming stigma, and enhancing agency. The transferability of DLGs to mental health care is discussed.
Towards forward-looking nature governance to meet conservation goals of Natura 2000 sites in the European Union: experts’ perspectives
Authors: Boćkowski Mariusz D. , Raymond Christopher M. , Plieninger Tobias , Grodzińska-Jurczak Małgorzata
Published: December 2022

As Natura 2000 missed challenges of halting biodiversity decline, its’ management is being affected by factors of ecological, political, and economic character. To address the shortcomings revealed during the Fitness Check and to facilitate meeting the EU’s biodiversity targets, the European Commission developed an “Action Plan for Nature, People and the Economy” prioritizing areas for improvement. However, mixed views still exist on the Natura 2000 governance; it is not certain that Action Plan would address existing drawbacks. The aim of the research was to identify divergent and convergent experts’ attitudes towards biodiversity conservation in Europe, with a focus on forward-looking environmental governance and policy-informing perspective. Participants representing multiple disciplines and professional backgrounds related to planning, governance, or management of Natura 2000 sites provided a comprehensive overview on the topic and address-related challenges. Based on the results of a Delphi survey, we established a framework for illuminating the spaces of disjunction in experts’ views towards Natura 2000 conservation. We distinguished three main divergence areas in views towards future network operation: (1) raising public awareness of environmental problems in the network, (2) the role of the European Commission in building political ownership of Natura 2000 sites among landholders, and (3) funding of Natura 2000. Then, based on revealed dichotomies, we return with drawing a roadmap for promoting more consensual outcomes. The results should help enable the practical management of conflicting views and the effective engagement of future biodiversity conservation strategies in Europe and beyond.
Intercorporeal Construction of We-Ness in Classroom Interaction
Authors: Heinonen Pilvi , Tainio Liisa
Published: December 2022

Drawing on multimodal conversation analysis as a method, this article explores the role of embodiment and tactility in negotiating peer relations in classroom interaction. We aim at discussing how social relations between peers are locally constructed and negotiated through embodied, tactile-haptic, and spatial practices during classroom activities. The focus of the empirical analysis is on how students sequentially co-construct specific peer-to-peer touch type—sustained leaning touch—as well as how embodied two-student formations, synchronization of bodily movements and negotiation of personal space serves as displaying social bonding and balancing between students’ dual role orientation. Our findings suggest that intercorporeal construction of we-ness—including exclusive and inclusive practices in relation to peer groups—is based on students’ embodied orientations during leaning touch as well as re-organized embodied choreographies, participation frameworks and spatial arrangements. Our empirical analysis on tactility, embodied consciousness and incorporeal compresence has its basis in a phenomenologically rooted understanding of intercorporeality, and therefore our article aims at building bridges between phenomenological understanding and conceptualization and detailed empirical analysis of clearly observable interactional phenomena.
Endogenous progesterone in unexplained infertility: a systematic review and meta-analysis
Authors: Raperport Claudia , Chronopoulou Elpiniki , Homburg Roy , Khan Khalid , Bhide Priya
Published: December 2022

Purpose

To investigate the possibility that altered actions of endogenous progesterone affect receptivity and contribute to unexplained infertility (UI).

Methods

Two authors electronically searched MEDLINE, CINAHL and Embase databases from inception to 6 July 2022 and hand-searched according to Cochrane methodology. We included all published primary research reporting outcomes related to endogenous progesterone in natural cycles in women with UI. Studies were assessed for risk of bias using a modified Newcastle–Ottawa Score or NHLBI Score. We pooled results where appropriate using a random-effects model. Findings were reported as odds ratios or mean differences.

Results

We included 41 studies (n = 4023). No difference was found between the mid-luteal serum progesterone levels of women with UI compared to fertile controls (MD 0.74, − 0.31–1.79,I236%). Women with UI had significantly higher rates of ‘out-of-phase’ endometrium than controls. Nine out of 10 progesterone-mediated markers of endometrial receptivity were significantly reduced in women with UI compared to fertile controls (the remaining 1 had conflicting results). Resistance in pelvic vessels was increased and perfusion of the endometrium and sub-endometrium reduced in UI compared to fertile controls in all included studies. Progesterone receptor expression and progesterone uptake were also reduced in women with unexplained infertility.

Conclusions

End-organ measures of endogenous progesterone activity are reduced in women with UI compared to fertile controls. This apparently receptor-mediated reduction in response affects endometrial receptivity and is implicated as the cause of the infertility. Further research is required to confirm whether intervention could overcome this issue, offering a new option for treating unexplained infertility.

Trial registration

PROSPERO registration: CRD42020141041 06/08/2020.
The thermodynamic and kinetic aspects of midazolam ring closure from benzophenone to benzodiazepine form, its acid–base equilibria and aromaticity: a quantum-chemical study
Authors: Oziminski Wojciech Piotr , Matysiak Michał
Published: December 2022

The process of midazolam ring closure was studied from the thermodynamic and kinetic points of view by means of quantum-chemical methods. B3LYP/6–311 +  + G(d,p) model was employed for gas phase and water environment (polarizable continuum model) calculations. It was concluded that the reaction rate determining step is the first step—carbinolamine formation from amine and carbonyl ends of the opened benzodiazepine ring. The Gibbs free energy of activation was calculated as 35.1 kcal/mol for gas- phase and 33.9 kcal/mol for water environment. Intrinsic reaction coordinate calculations were performed to verify that the transition state really connects the substrate and product. Thermodynamically, this reaction is endoergic with ΔG = 9.6 kcal/mol for gas phase and 10.0 kcal/mol for water environment. However, the next step—carbinolamine protonation with immediate water molecule loss is expected to be fast and activation barrierless, which enables further progress of the ring closure, despite the positive ΔG of the fist step. Next, the protonated imine undergoes deprotonation to final closed ring, pharmacologically active molecule of midazolam. The whole chain of reaction is exoergic with ΔG equal to − 5.6 kcal/mol for gas phase and − 7.7 kcal/mol for water environment. In order to understand the role of other than benzodiazepine/imidazole molecular fragments on the ring closure process, a model was build which contains only benzodiazepine and imidazole rings. The activation barrier for the carbinolamine formation of the model is similar to midazolam in the gas phase but higher by about 10 kcal/mol for water environment. The most interesting difference is however that for the model, the carbinolamine formation step is exoergic with ΔG equal to − 2.2 kcal/mol for gas phase and − 1.8 kcal/mol for water environment. This difference can be connected to complicated conformational shape of the midazolam molecule, which during the ring closure undergoes unfavorable deformations with accompanying rise of the energy of the molecule. The protonation sites for both midazolam and the model were also studied. In the case of midazolam, the preferred protonation site is the imidazole ring nitrogen atom, but in the case of the model it is the benzodiazepine ring nitrogen atom. The aromaticity of the 5- and 7-membered rings were analyzed using two aromaticity—HOMA and pEDA. It follows that larger stability of the cation protonated at the benzodiazepine ring is accompanied with substantial increase of the 7-ring aromaticity in the model of midazolam. The complexes of midazolam and its model with a water molecule were analyzed because they are needed for evaluation of the energy of the whole process of ring closure. In the case of midazolam, the water molecule preferentially connects to imidazole ring, but in the case of the model, complexes with both imidazole and benzodiazepine rings have similar stability.
Copper-zeolites Prepared by Solid-state Ion Exchange - Characterization and Evaluation for the Direct Conversion of Methane to Methanol
Authors: Kvande Karoline , Prodinger Sebastian , Schlimpen Fabian , Beato Pablo , Pale Patrick , Chassaing Stefan , Svelle Stian
Published: December 2022

Direct conversion of methane to methanol (MTM) over Cu-zeolites is a so-called “dream reaction” for the chemical industry. There is still a lot that can be done in order to optimize the reaction by e.g. achieving a deeper understanding of the reaction mechanism and the nature of the Cu-sites. In this study, we investigated a solid-state ion exchange method to incorporate CuI ions into zeolites (MOR, BEA, ZSM-5 and FAU), as a more scalable technique. The solid-state ion exchange led to a Cu/Al ration of about 0.8, however with a heterogeneous distribution of Cu. Regardless, Fourier transform-infrared spectroscopy still revealed that most Brønsted acid sites were exchanged in all four samples. Further, CH4-temperature programmed reaction experiments showed that some Cu-sites formed were reactive towards CH4, with CuI-MOR and CuI-FAU having the largest CH4 consumption. Ultimately, the CuI-zeolites were tested in the MTM reaction and proved capable of producing methanol, even without the presence of Brønsted sites. A MOR with lower Cu/Al ratio (0.30) was also tested for comparison, and as this sample obtained a much higher productivity than the CuI-MOR with high Cu-loading (0.10 vs. 0.03 molMeOH/molCu), it was demonstrated that some fine-tuning is necessary to obtain the active Cu sites for methane activation.
Prediction of Periodic Centerline Porosity and Pulse Marks by CFD and Experimentation for Continuously Cast Copper
Authors: Jones Thomas D. A. , Strachan Richard , Russell Kyle , Abdullah Mustafe , Mackie David M. , Cooper Mervyn , Frame Brian , Vorstius Jan B.
Published: December 2022

For 8 mm OFCu rod, the formation of pulse mark defects on the exterior of the rod and periodic macroporosity (> 1 mm diameter pores) occurring internally along the centerline of the castings have been observed and noted to limit the maximum attainable withdrawal rates (~ 4 m/s). Conversely, the same casting defects have been witnessed for slower rates; therefore, investigations were performed to investigate how the casting motions (withdrawal, dwell, and pushback) formed these defects and could be prevented. Characterization of the physical properties of the cast rods by tensile testing and analysis by optical and computed tomography (CT) imaging revealed correlations to the outer pitch length marks on the rods and confirmed relationships to casting motions and pitch lengths evaluated from metallurgical equations. Computational fluid dynamic modeling using Ansys Fluent v.R1 was applied to quantify the localized formation and dissipation of periodic hotspots internally within the die for the different motions. A mechanism leading to periodic porosity was identified, which was irrespective of the average casting withdrawal rates and enabled prediction of the location, frequency, and magnitude of the macroporosity defect.
Transcriptome-wide association study identifies novel genes associated with bone mineral density and lean body mass in children
Authors: Xu Jiawen , Ma Jun , Zeng Yi , Si Haibo , Wu Yuangang , Zhang Shaoyun , Shen Bin
Published: December 2022

Objective

To identify novel candidate genes whose expression is associated with bone mineral density (BMD) and body lean mass (LM) in children.

Methods

A tissue-specific transcriptome-wide association study (TWAS) was conducted utilizing a large-scale genome-wide association study (GWAS) dataset associated with BMD and LM and involving 10,414 participants. The measurement of BMD and LM phenotypes was made based on total-body dual-energy X-ray absorptiometry (TB-DXA) scans. TWAS was conducted by using FUSION software. Reference panels for muscle skeleton (MS), peripheral blood (NBL) and whole blood (YBL) were used for TWAS analysis. Functional enrichment and protein–protein interaction (PPI) analyses of the genes identified by TWAS were performed by using the online tool Metascape (http://metascape.org).

Results

For BMD, we identified 174 genes with P < 0.05, such as IKZF1 (P = 1.46 × 10−9) and CHKB (P = 8.31 × 10−7). For LM, we identified 208 genes with P < 0.05, such as COPS5 (P = 3.03 × 10−12) and MRPS33 (P = 5.45 × 10−10). Gene ontology (GO) enrichment analysis of the BMD-associated genes revealed 200 GO terms, such as protein catabolic process (Log P = −5.09) and steroid hormone-mediated signaling pathway (Log P = −3.13). GO enrichment analysis of the LM-associated genes detected 287 GO terms, such as the apoptotic signaling pathway (Log P = −8.08) and lipid storage (Log P = −3.55).

Conclusion

This study identified several candidate genes for BMD and LM in children, providing novel clues to the genetic mechanisms underlying the development of childhood BMD and LM.
Is there a link between the length of the solar cycle and Earth’s temperature?
Authors: Chatzistergos Theodosios
Published: December 2022

The Sun provides most of external energy to Earth’s system and thus has the potential of influencing it. Various studies reported a correlation between the solar cycle length and the northern hemisphere temperatures on Earth. Here, we reassess the cycle length record by incorporating the newly revised and updated sunspot number series as well as plage area composite, before comparing it to Earth temperature records. We find that cycle length series constructed from sunspot and plage data exhibit the same behaviour, both showing a downward trend after 1940. Our results suggest that the agreement between solar cycle lengths and temperatures found earlier is an artefact of (1) some arbitrary choices made by those studies when constructing the cycle length series as well as (2) a rather short time interval, to which the analyses were restricted. When considering the entire period of reliable sunspot and temperature data, these records diverge before about 1870 and after 1960. We also find a poor agreement between Earth temperatures and cycle length when using plage areas instead of sunspot data to derive cycle lengths. Our result of the divergence between cycle length series and Earth’s temperature after 1960 implies that the cycle length cannot be used to support a solar origin for the warming on Earth over the last 5 decades.
Parametric modeling approach in laser wire additive manufacturing process
Authors: Mbodj Natago Guilé , Abuabiah Mohammad , Kandaoui Maxime El , Yaacoubi Slah , Plapper Peter
Published: December 2022

In recent years, the evolution of computer-aided design technology has established a new design method to improve digital model creations. The new design method is called Parametric Modeling. In this paper, 3D metallic models are printed using a novel Parametric Modeling approach. The goal of this approach is to use parametric design features to simulate and print 3D metallic objects using Laser Wire Additive Manufacturing (LWAM) process. The proposed approach includes a pattern creation and robot targets assignment while considering several process requirements of LWAM and the robot system. This technique will allow the development of an adaptive robot toolpath for a good deposition process. Finally, a wall, a cylinder, and a complex shape were simulated and deposited to validate the proposed approach. The results show that the approach is feasible, adaptive, and can enhance 3D metallic print in the LWAM process.
Some Observations on the Reproductive Biology of the Mediterranean Pennatulacean Pteroeides Spinosum (Ellis and Solander, 1786) (Cnidaria: Octocorallia: Pennatulacea)
Authors: García-Cárdenas Francisco J. , López-González Pablo J.
Published: December 2022

Sea pens are some of the most important structural species in soft bottom benthic communities.Pteroeides spinosumis a shallow-water pennatulacean (Cnidaria: Octocorallia: Pennatulacea) habiting NE Atlantic-Mediterranean bottoms. In this study, sixteen colonies ofPteroeides spinosumcollected from NW Mediterranean Sea (Cap de Creus, Spain) at 99–106 m depth in July (2012), were used to acquire information of their reproductive biology, and to enable a comparison with other pennatulaceans. Our colonies ofPteroeides spinosumare gonochoric showing a bimodal oocyte frequency distribution and an unimodal spermatocyst diameter distribution. All polyp leaves contained oocytes and spermatocysts in different size classes, with those small and translucent spermatocysts/ oocytes (size-class I) often found near the base or lower end of the gastrovascular cavities of polyps. The largest observed diameter was 668 μm for spermatocysts and 687 μm for oocytes. Mean potential relative fecundity (PRF) ranged between 7–17 oocytes per polyp. The effective reproductive effort (ERE) reached a value of ca. 30,000 large oocytes per colony. As was observed for all pennatulaceans previously studied, no sign of hermaphroditism or internal fertilization was detected in our colonies ofPteroeides spinosum.
Morphological and molecular investigation of some xanthid crabs from the Egyptian coast of the Red Sea
Authors: Amer Mohamed Abdelnaser , Naruse Tohru , Reimer James Davis
Published: December 2022

Family Xanthidae comprises 15 subfamilies and over 600 accepted species; they are represented well in the foreshore marine environments. Members of family Xanthidae are multi-colored crabs, usually inhabiting rocky coasts, coral reefs, and mud flats, all of which are well represented along the Egyptian coast of the Red Sea. Here, we utilized cytochrome oxidase subunit I (COI) sequences combined with morphology to provide information on some xanthid specimens collected from the Egyptian coast of the Red Sea. Six species within four genera (Leptodius, Etisus, Cyclodius, Chlorodiella) were collected. Genetic distances combined with morphological analyses showed intraspecific variations between two morphotypes of Leptodius exaratus. Two Etisus species were examined, E. laevimanus and E. sp. The latter Etisus sp. was close to E. frontalis, especially with regard to frontal lobe morphology, but different in male's first gonopod, with interspecific genetic distances. We also identified Chlorodiella nigra and C. laevissima. Obtained genetic distances between two morphotypes of Cyclodius granulatus revealed that these morphotypes are also likely cases of intraspecific variation. The results of this study should provide a basis for future work on family Xanthidae along the coasts of the Red Sea, which is needed as data remain scant.
The Use of Si-Based Fertilization to Improve Agricultural Performance
Authors: Barão Lúcia
Published: December 2022

Silicon (Si) is a “quasi-essential” element, associated to stresses/limitations alleviation in crops. However, stressful situations are becoming the norm, due to climate change, human exhaustion of natural resources, land degradation and loss of soil biodiversity. In this context, Si becomes a critical element, capacitating crops to grow more and better with less. A total of 467 articles up to 2021 were selected, reporting 501 experiments (lab-oriented and field trials) resulting in 682 cases where different Si-based fertilizers were used to study crops/plants with agronomic value to evaluate its physiological and/or agronomic performance under a specific motivation. Results show that 63% of cases testing Si-fertilization show increase in productivity, while 13% refuted this observation and 24% did not evaluate plant growth. Crop physiological responses was registered in 42% of the cases and only 3% did not report any alteration, although 55% did not evaluate these indicators. Symptom alleviation, in cases where stresses/limitations were studied, was registered in 74% of the cases with a low number of negative outcomes (9%). Field trials where crop yield was measured after application of Si-fertilization show that 69% of different measurements (599) register a yield improvement ≥ 5%, while 18% of the measurements registered between 0 and 5% and only 14% reported yield loss. Si-fertilization is therefore and important factor to improve crop yield and capacitate crops with resilience to endure future limitations. Its inclusion in modern agriculture should be considered in larger scales to adapt crops to the current challenges of sustainable agriculture and food provision.
Development and quality characterization of sapodilla ready to serve (RTS) drink
Authors: Fiaz Khansa , Quddoos Muhammad Yousaf , Nadeem Muhammad , Yaqub Shazia , Batool Syeda Ayesha , Rafique Ayesha , Chaudhry Faiqa , Noreen Saima , Hussain Ashiq , Qadeer Zara , Kauser Samina , Fatima Pinky
Published: December 2022

We have been awarded by nature with a stunning flora and fauna that has prettified our life. Sapodilla is well known for its therapeutic and nutritive properties. Sapodilla has good antioxidant mutagenic and anticancer properties that directly influence radical-scavenging potential. Sapodilla has a short shelf life due to its perishable nature. An attempt was carried out to develop sapodilla RTS beverages using sonication and microwave techniques. Physicochemical attributes such as acidity, pH, TSS, pH antioxidant activity of the ready to serve (RTS) and sensory attributes were analysed during 90 days of storage. The highest ° Brix was found in T0 with a mean value of 12.14 ± 1.19° Brix, the highest pH was found in T2 with mean values of 3.82 ± 0.006% and 4.28 ± 0.006% and the lowest pH was observed in T1 with a mean value of 3.72 ± 0.03%. All the treated RTS samples were subjected to antioxidant analysis including total phenols, total flavonoids and total antioxidant activity. The lowest phenolic content was observed in T0(334.53 ± 1.66 μg GAE/100 mL of juice). The highest total flavonoid content was found in T2(316.67 ± 19.51 μg CE/g), and the lowest total flavonoid content was observed in T0(111.48 ± 24.28 μg CE/g). The lowest total antioxidant capacity was observed in T0(381.85 ± 6.09 μl AAE/ml).The results of sensory evaluation revealed that the maximum score for sensory properties such as color, flavour, taste and overall acceptability was achieved by treatment T2,which revealed that these treatments of sapodilla RTS were declared the best with sonication and microwave treatment.

Graphical Abstract
Gender-based violence in Latin America (Ecuador and Argentina): current state and challenges in the development of psychoeducational materials
Authors: Pispira Joselyn , Cevasco Jazmín , Silva María Luisa
Published: December 2022

Gender-based violence (GBV) is a complex social and public health problem, which represents a human rights violation. Globally, GBV tends to occur in intimate partner relationships. Latin American countries report high rates of this violence. Despite their social and historical differences, Ecuador and Argentina are among Latin countries that aim to dismantle patriarchy. Developing psychoeducation materials is one way in which communities can recognize and prevent GBV. Psycholinguistics can provide useful tools to facilitate learning about this social issue: prior studies suggest that promoting the establishment of discourse connections, the generation of emotion inferences and the emotional involvement of the comprehender facilitate written and spoken discourse comprehension. The aim of this commentary article is to present an overview of the current incidence of GBV in Ecuador and Argentina, and to highlight the contributions that preliminary research on discourse comprehension can make to facilitate learning about GBV prevention strategies. Finally, we will discuss possible research guidelines and future directions. We expect that this manuscript will contribute to highlighting the importance of promoting social awareness of GBV and, therefore, the crucial role of the design and implementation of scientifically based interventions.