bluuebunny/crossref_metadata_2025 huggingface dataset:
Design, synthesis, and biological evaluation of new heterocycles bearing both silicon and phosphorus as potent MMP‐2 inhibitors
Authors: El‐Hussieny Marwa , Mansour Shaimaa T. , Hashem Ahmed I. , Fouad Marwa A. , Abd‐El‐Maksoud Mansoura A.
Published: November 2022

Matrix metalloproteinases (MMPs) attracted medicinal chemists as they are biological targets that are involved in various pathophysiological processes such as extracellular matrix protein degradation, cell‐surface receptor release and cleavage, tumor growth, homeostatic control, and innate immunity. New heterocycles, bearing both silicon and phosphorus in their molecular structures, were successfully produced via reacting silylated isocyanates and/or isothiocyanates with appropriate phosphorus ylides. Reacting nucleophilic phosphacumulenes (2,6) with isocyanate 1 and isothiocyanate 9 yielded four‐membered ring heterocycles containing phosphorus and silicon (4 and 11) and six‐membered rings heterocycles (5, 8 and 12). Moreover, novel heterocycles containing two phosphorus atoms and one silicon atom were produced by the reaction of diphosphorane 13 with 1 or 9. On the other side, four‐membered (23, 26 and 29a) and six‐membered heterocyclic derivatives (20b and 29b) containing two phosphorus atoms in their structures were also obtained from the reaction of phosphallene ylide 13 and substrates (18, 21, 24 and 27). All the final compounds were tested for their MMP‐2 inhibitor activity showing IC50 values in the range of 0.0408–0.4985 μM. The thiolactam derivative 11 and the azaphosphetidin‐4‐one derivative 15, both bearing silicon and phosphorous, showed the highest activity with IC50 values of 0.0408 and 0.0693 μM, respectively, both are significantly higher than that of quercetin (IC50 = 0.1631 μM). Docking simulations were carried out for the most two active compounds 11 and 15 in the vicinity of the active site of MMP‐2 enzyme and both formed coordinate bonds with the zinc cation key interaction for MMP‐2 enzyme. In conclusion, compounds 11 and 15 can be considered as potential MMP‐2 inhibitors and can be subjected to further studies as antimetastatic agents.
Treatment outcomes and costs of a simplified antiretroviral treatment strategy for hepatitis C among Hepatitis C Virus and Human Immuno deficiency Virus co‐infected patients in Ukraine
Authors: Antoniak Sergie , Chasela Charles S , Freiman Morgan Julie , Stopolianska Yulia , Barnard Tetiana , Gandhi Malini M , Liulchuk Maria , Tsenilova Zhanna , Viktor Tretiakov , Dible Jeri , Wose Kinge Constance , Akpan Francis , Minior Thomas , Sigwebela Ntombi , Mohamed Sofiane , Barralon Matthiue , Marange Fadzai , Cavenaugh Clint , Horst Charles Vander , Antonyak Svitlana , Xulu Thembisile , Chew Kara W , Sanne Ian , Rosen Sydney ,   for EQUIP Health
Published: November 2022

Background and Aim

To demonstrate the use of a standard dose of ledipasvir (LDV) and sofosbuvir (SOF), with or without ribavirin, to treat hepatitis C and hepatitis C/HIV co‐infection in Ukraine.

Methods

Eligible HCV viraemic adults from two clinics in Kyiv were treated with LDV/SOF with or without weight‐based ribavirin for 12 weeks. Clinical assessments were performed at screening and at week 24, and as needed; treatment was dispensed every 4 weeks. The primary outcome was sustained virologic response (SVR) 12 weeks after treatment, with analysis by intention to treat. Cost per patient was estimated in USD (2018) over the 24‐week period.

Results

Of 868 patients included in the study and initiated on therapy, 482 (55.5%) were co‐infected with HIV. The common genotypes were 1 (74.1%) and 3 (22%). Overall, SVR was achieved in 831 of the 868 patients (95.7%). SVR in patients with hepatitis C alone and hepatitis C/HIV co‐infection was 98.4% and 93.6%, respectively. Adverse events were infrequent and usually mild. Using generic medication, cost per patient was estimated at US$680.

Conclusion

A standard dose of LDV and SOF, with ribavirin as per protocol, resulted in good outcomes for patients with both hepatitis C alone and co‐infected with hepatitis C/HIV. Program costs in Ukraine were modest using generic medication.
The impact of prevention‐effective PrEP use on HIV incidence: a mathematical modelling study
Authors: Roberts D. Allen , Bridenbecker Daniel , Haberer Jessica E. , Barnabas Ruanne V. , Akullian Adam
Published: November 2022

Introduction

Models that project the impact and cost‐effectiveness of HIV pre‐exposure prophylaxis (PrEP) must specify how PrEP use aligns with HIV exposure. We hypothesized that varying PrEP use according to individual‐level partnership dynamics rather than prioritization to population subgroups based on average risk will result in larger incidence reductions and greater efficiency.

Methods

We used an individual‐based network transmission model calibrated to HIV dynamics in Eswatini to simulate PrEP use among individuals ages 15–34 between 2022 and 2031 under two paradigms of PrEP delivery: “Risk Group” and “Partnership.” In the “Risk Group” paradigm, we varied PrEP coverage by risk groups (low, medium and high) defined by average partnership frequency and concurrency. In the “Partnership” paradigm, all individuals are potentially eligible for PrEP, but we assumed use occurs only during partnerships and varied prioritization by partner HIV status (no prioritization to high prioritization with HIV‐positive partners). We calculated person‐time on PrEP and incidence relative to a no PrEP scenario and estimated efficiency as the person‐years of PrEP needed to avert one additional infection (NNT).

Results

In the Risk Group paradigm, restricting PrEP to the high‐risk group was the most efficient (NNT = 17), but the number of infections averted was limited by the small size of the high‐risk group. Expanding PrEP use to all risk groups averted up to three times more infections but with lower efficiency (NNT = 202). PrEP use under the Partnership paradigm was 2–6 times more efficient (NNT = 33–102) than the Risk Group paradigm with all groups eligible for PrEP. A 33% reduction in incidence among 15‐ to 34‐year‐olds was achieved at 46% (95% CI: 39–52%) PrEP coverage in the Risk Group paradigm and 6% (95% CI: 5–7%) to 17% (95% CI: 14–20%) in the Partnership paradigm.

Conclusions

Modelling PrEP use based on risk groups resulted in a sharp trade‐off between PrEP efficiency and impact, whereas PrEP use predicated on partnerships resulted in much higher efficiency for widespread PrEP availability. Model estimates of PrEP impact and cost‐effectiveness in generalized epidemics are strongly influenced by assumptions about how PrEP use aligns with individual‐level HIV exposure heterogeneity.
Quality and readability assessment of online patient information on cytoreductive surgery and hyperthermic intraperitoneal chemotherapy
Authors: Rouhi Armaun D. , Ghanem Yazid K. , Hoeltzel Gerard D. , Miura John T. , Aarons Cary B. , Williams Noel N. , Dumon Kristoffel R. , Karakousis Giorgos C.
Published: November 2022

Background and Objectives

We aim to assess the quality and readability of online information available to patients considering cytoreductive surgery with hyperthermic intraperitoneal chemotherapy (CRS‐HIPEC).

Methods

The top three search engines (Google, Bing, and Yahoo) were searched in March 2022. Websites were classified as academic, hospital‐affiliated, foundation/advocacy, commercial, or unspecified. Quality of information was assessed using the JAMA benchmark criteria (0–4) and DISCERN tool (16–80), and the presence of a Health On the Net code (HONcode) seal. Readability was evaluated using the Flesch Reading Ease score.

Results

Fifty unique websites were included. The average JAMA and DISCERN scores of all websites were 0.72 ± 1.14 and 39.58 ± 13.71, respectively. Foundation/advocacy websites had significantly higher JAMA mean score than commercial (p = 0.044), academic (p < 0.001), and hospital‐affiliated websites (p = 0.001). Foundation/advocacy sites had a significantly higher DISCERN mean score than hospital‐affiliated (p = 0.035) and academic websites (p = 0.030). The HONcode seal was present in 4 (8%) websites analyzed. Readability was difficult and at the level of college students.

Conclusions

The overall quality of patient‐oriented online information on CRS‐HIPEC is poor and available resources may not be comprehensible to the general public. Patients seeking information on CRS‐HIPEC should be directed to sites affiliated with foundation/advocacy organizations.
Moderating carbon dynamics in black soil by combined application of biochar and an artificial humic substance
Authors: Tang Chunyu , Liu Bailiang , Cheng Kui , Antonietti Markus , Yang Fan
Published: November 2022

The mineralization and humification of organic matter triggered by added exogenous carbon are relevant to soil organic matter (SOM) turnover and stability. Biochar (BC) and artificial humic substance (A‐HS), two typical exogenous carbon materials, have not been jointly applied to seek to improve the soil carbon pool, which is contributed by the development of A‐HS which has not yet been used on a large‐scale. We surmise that the dynamic interactions occurring in combined application of BC and A‐HS are complex and deserve detailed attention. Herein, a continuous incubation experiment including relevant weather events (freezing, freezing–thawing, warming climates) was conducted for 180 days to observe the development of SOM in the different stages and under separate and mixed applications of A‐HS and BC. After 45 d cultivation period and the freezing phase, the relative mineralization rate of SOM was up to 6.4% (120 ml/kg A‐HS), 4.9% (2% BC) and 13.3% (for the combination of 120 ml/kg A‐HS and 2% BC), suggesting that the presence of A‐HS triggers an enhanced mineralization of SOM throughout freezing. However, the remaining SOM turned out to be more strongly humified and more stable, preserving the SOM through the warming season, as shown by ultraviolet fluorescence and high‐throughput sequencing. Overall, the dynamic interactions between BC and A‐HS are shown to be mainly mediated by biological activity and alterations of microbial community structure and the related metabolic preferred pathways, which vice versa can be influenced by the added carbon sources.
Defining targets to improve care delivery for T4 larynx squamous cell carcinoma
Authors: Frenkel Catherine H. , Brickman Daniel S. , Trufan Sally J. , Ward Matthew C. , Moeller Benjamin J. , Carrizosa Daniel R. , Sumrall Ashley L. , Milas Zvonimir L.
Published: November 2022

Objective

United States oncology trends consistently demonstrate that nearly half of T4a larynx carcinoma patients are treated with larynx preservation, despite national guidelines favoring laryngectomy. This study identifies clinical decision‐making drivers and defines patient subsets that should become targets for care improvement.

Methods

Retrospective analysis of patients with cT4 squamous cell carcinoma of the larynx from US National Cancer Database 2005–2016. Demographic data and survival rates between clinical pathways were compared. Survival was estimated by Kaplan–Meier method with statistical comparisons assessed by log‐rank test.

Results

Of 11,556 patients with cT4 disease, laryngectomy (TL) was the initial treatment for 4627 (40%) patients. Larynx preservation via chemoradiation (CRT) occurred for 4307 patients. TL and CRT patients had similar Charlson–Deyo comorbidity indices and insurance status. TL patients had higher total tumor size, lower N3 rates and were more often seen at academic institutions (p < .0001). N0 surgery patients with adjuvant treatment demonstrated superior median survival (MS) compared to CRT (surgery + radiation MS: 69 months, surgery + chemoradiation MS: 66, CRT MS: 37.7), p < .0001. MS for N1/N2 disease patients was 56.5 months for surgery + radiation and 35.5 months for surgery + CRT, superior to CRT, MS 30.8 months, p < .0001. Tri‐modality N3 patients with up front surgery had similar MS compared to CRT (surgery + chemoradiation 21.3 months vs. CRT 16.1), p = .95.

Conclusion

National quality improvement initiatives are needed to promote guideline adherence and improve survival in advanced larynx cancer. Targets for such initiatives should be patients with limited or no nodal disease burden, that meet clear T4a imaging criteria.

Level of Evidence

Level IV, non‐randomized controlled cohort.
Inconsistent, uncoordinated, and reactive: The current state of sibling psychosocial care
Authors: Davis Kathryn A. , Brosnan Phoebe , Mazzenga Marcella , Buchbinder David , Alderfer Melissa A. , Sharkey Christina M. , Long Kristin A.
Published: November 2022

Background

Although providing sibling psychosocial services is a standard of care in pediatric oncology, initial survey research suggests that this standard is rarely achieved and siblings’ support needs remain unmet. Which sibling psychosocial services are available and how centers provide such services is unknown. To identify targetable services gaps, this qualitative study characterizes current sibling psychosocial care practices at select pediatric cancer centers across the United States.

Procedure

Semi‐structured interviews were conducted with a purposive sample of psychosocial care providers (N = 27) working across the United States in pediatric oncology centers of varied sizes. Interviews queried providers regarding sibling‐focused parent psychoeducation, psychosocial screening, comprehensive assessment, and psychosocial support offerings. Interview data were analyzed using Applied Thematic Analysis.

Results

Across cancer centers, sibling care practices did not align with consensus‐based recommendations. The nature and availability of sibling‐focused psychoeducation, screening, assessment, and support were variable between and within centers. Siblings themselves were largely absent from sibling psychosocial care, and care was rarely sibling‐specific. The flow of information about siblings was discontinuous and uncoordinated across the care continuum, resulting in psychosocial care provided reactively, typically in response to parental concerns.

Conclusions

Sibling psychosocial care provision falls short of established care recommendations, leaving sibling psychosocial needs unmet. Findings highlight the need for tools and strategies to facilitate the implementation of sibling psychosocial care across the care continuum, to support siblings’ psychosocial functioning across the life course.
Molecular dynamics simulations of defective carbon nanotubes on the aging and friction properties of nitrile butadiene rubber composites
Authors: Wang Mengjia , Li Yunlong , Qian Cheng , Zhao Jing , Wang Shijie
Published: November 2022

The thermal‐oxidative aging (TOA) and tribological properties of rubber had attracted attention in the petrochemical field. In this study, the mechanical and tribological properties of defect‐free, Stone–Wales (SW), and single adatom (SA) defective carbon nanotubes (CNTs)/nitrile butadiene rubber (NBR) composites were investigated using molecular dynamics simulations. Poly (1,2‐dihydro‐2,2,4‐trimethyl‐quinoline) (antioxidant RD) was added to the composites to analyze their TOA mechanisms. Antioxidant RD provided the best protective effect in SW‐CNTs/RD/NBR composites, and their TOA properties were enhanced. In addition, the Young's modulus, bulk modulus, and shear modulus, friction coefficient, and wear rate of the SW‐CNTs/RD/NBR composites were improved. The effects of SW‐CNTs on the RD/NBR composites were elucidated from a molecular perspective. The surface structures of three groups of CNTs were analyzed, and the SW‐CNTs exhibited a stronger adsorption ability and binding effect. It was determined that the antioxidant RD and NBR could be more stably dispersed between the molecular chains in the SW‐CNTs/RD/NBR composites.
Neighboring Carboxylic Acid Boosts Peroxidase‐Like Property of Metal‐Phenolic Nano‐Networks in Eradicating Streptococcus mutans Biofilms
Authors: Wang Yaran , Zhou Jianan , Yuan Lu , Wu Fan , Xie Lingping , Yan Xiaojian , Li Huaping , Li Yuanfeng , Shi Linqi , Hu Rongdang , Liu Yong
Published: November 2022

Developing nature‐inspired nanomaterials with enzymatic activity is essential in combating bacterial biofilms. Here, it is reported that incorporating the carboxylic acid in phenolic/Fe nano‐networks can efficiently manipulate their peroxidase‐like activity via the acidic microenvironment and neighboring effect of the carboxyl group. The optimal gallic acid/Fe (GA/Fe) nano‐networks demonstrate highly enzymatic activity in catalyzing H2O2 into oxidative radicals, damaging the cell membrane and extracellular DNA in Streptococcus mutans biofilms. Theoretical calculation suggests that the neighboring carboxyl group can aid the H2O2 adsorption, free radical generation, and catalyst reactivation, resulting in superb catalytic efficiency. Further all‐atom simulation suggests the peroxidation of lipids can increase the cell membrane fluidity and permeability. Also, GA/Fe nano‐networks show great potential in inhibiting tooth decay and treating other biofilm‐associated diseases without affecting the commensal oral flora. This strategy provides a facile and scale‐up way to prepare the enzyme‐like materials and manipulate their enzymatic activity for biomedical applications.
Atomistic neural network representations for chemical dynamics simulations of molecular, condensed phase, and interfacial systems: Efficiency, representability, and generalization
Authors: Zhang Yaolong , Lin Qidong , Jiang Bin
Published: November 2022

Machine learning techniques have been widely applied in many fields of chemistry, physics, biology, and materials science. One of the most fruitful applications is machine learning of the complicated multidimensional function of potential energy or related electronic properties from discrete quantum chemical data. In particular, substantial efforts have been dedicated to developing various atomistic neural network (AtNN) representations, which refer to a family of methods expressing the targeted physical quantity as a sum of atomic components represented by atomic NNs. This class of approaches not only fully preserves the physical symmetry of the system but also scales linearly with respect to the size of a system, enabling accurate and efficient chemical dynamics and spectroscopic simulations in complicated systems and even a number of variably sized systems across the phases. In this review, we discuss different strategies in developing highly efficient and representable AtNN potentials, and in generalizing these scalar AtNN models to learn vectorial and tensorial quantities with the correct rotational equivariance. We also review active learning algorithms to generate practical AtNN models and present selected examples of AtNN applications in gas‐surface systems to demonstrate their capabilities of accurately representing both molecular systems and condensed phase systems. We conclude this review by pointing out remaining challenges for the further development of more reliable, transferable, and scalable AtNN representations in more application scenarios.

This article is categorized under:

Data Science > Artificial Intelligence/Machine Learning

Molecular and Statistical Mechanics > Molecular Interactions
Positive Psychology and Buddhism
Authors: Segall Seth Zuihō , Kristeller Jean L.
Published: November 2022

Buddhism is a historically and culturally diverse religious and philosophical tradition that offers a positive vision of the human potential for ending suffering and for leading lives that are happy and good. In recent years, ideas drawn from the Buddhist tradition have found their way into Western psychology, informing new ways of understanding and promoting human well-being. These insights and tools include Buddhist ideas (and Buddhist-informed interventions) focused on mindfulness, radical acceptance, loving-kindness and self-compassion, self-transcendence, and the ability to disengage from unwholesome thought processes. In this chapter, we describe the diversity of Buddhist belief and practice, both in Asia and in the West. The core concepts common to distinct Buddhist traditions are reviewed, followed by an analysis of how these concepts relate to key principles of positive psychology. Research on Buddhist insights and intervention is reviewed, and contemporary clinical applications are discussed.
Positive Psychology and Religion/Spirituality Across Cultures in Africa, Asia, and Oceania
Authors: Cowden Richard G. , Counted Victor , Ho Man Yee
Published: November 2022

Culturally responsive cross-pollination of positive psychology (PP) and the psychology of religion/spirituality (PRS) has the potential to enrich both subfields and augment their impact. To strengthen the interaction of PP and the PRS beyond the traditional boundaries of the West, this chapter explores the current overlap between these two psychology subfields in Africa, Asia, and Oceania. After providing a brief overview of each region, we apply a systematic approach to identify and evaluate research that intersects PP and the PRS in each region. Our search revealed a total of 128 scholarly articles over the last three decades. Topical emphases were classified into three overarching themes: (a) well-being, (b) character strengths and virtues, and (c) positive adaptation. Although recent growth in publication outputs within each region is an encouraging sign for the next wave of research, the quality of the existing empirical evidence is limited by an overreliance on cross-sectional observational studies. We highlight some of the ways that culturally responsive cross-pollination of PP and the PRS could benefit people living in Africa, Asia, and Oceania. We also offer suggestions for broadening the scope and enhancing research that intersects both subfields in these culturally and religiously diverse regions.
The Scientific Study of Positive Psychology, Religion/Spirituality, and Physical Health
Authors: Masters Kevin S. , Boehm Julia K. , Boylan Jennifer M. , Vagnini Kaitlyn M. , Rush Christina L.
Published: November 2022

Possible relations between religion, spirituality, positive psychology, and physical health have interested humans throughout history. Only recently have these relations become the object of scientific study. In this chapter, we conducted a nonsystematic, narrative review of the modest but growing empirical literature, which suggests that positive psychological constructs such as life satisfaction, positive affect, purpose/meaning, and optimism are generally predictive of better physical health and functioning. Similarly, religion and spirituality (R/S) variables including religious service attendance, religious/spiritual coping, religious orientation, and prayer have demonstrated relations with better health outcomes. These relations are sometimes complex and possibly influenced by methodological considerations. Several possible pathways to account for these relationships have been proposed, including behavioral processes, social support, and direct physiological pathways. Whether these relations are causal remains a perplexing question to resolve, due to methodological challenges inherent in the nature of the variables themselves and to the practical difficulties of examining these variables via experimental investigation and longitudinal analysis. The possibility that positive psychology constructs may account for associations between R/S and health deserves further exploration, ideally using experimental and prospective longitudinal methods.
Meaningfulness and Religious/Spiritual Meaning Systems at Work: A Multilevel Framework
Authors: Dik Bryan J. , Alayan Alexandra J.
Published: November 2022

In this chapter, we examine the intersections of positive psychology (in particular, meaningfulness), religious and spiritual meaning systems, and the human experience of working. Psychological research and application related to work have generally taken either an individual perspective (within vocational psychology and career development) or an organizational perspective (within industrial-organizational psychology, management, and organizational behavior), usually contextualized within broader cultural and economic frames. Accordingly, we used a multilevel integrative model to explore factors that influence how religious/spiritual meaning systems can contribute to the experience of meaningfulness at work. This approach accounts for the individual, job, organizational, and societal levels of experience. Researchers are invited to test segments of the model using appropriate statistical techniques such as multilevel modeling. Counselors, human resource professionals, and organizational leaders are encouraged to invite workers to draw from their religious/spiritual meaning systems to inform career decisions and influence organizational policies and goals.
Virtues in Positive Psychology and the Psychology of Religion and Spirituality
Authors: Ratchford Juliette L. , Ming Mason S. , Schnitker Sarah A.
Published: November 2022

In this chapter, we explore the overlap and intersections of research on virtue within the fields of positive psychology and the psychology of religion and spirituality. Research involving the study of virtue in tandem with religion and spirituality is presented, in order to guide future scholarship at the crossroads of positive psychology, religion, and spirituality. Intersections including trait taxonomies, cultural ideals, cultural practices, goal pursuit, context-specific emotions, and narrative identity make virtue research an optimal hub for integration. This chapter is applicable to work in faith communities, psychoeducation, and clinical work. For faith communities, it summarizes empirical research into the ways religion and spirituality can help or undermine virtue development. For people seeking psychoeducation, we outline the history of virtue research in tandem with the psychology of religion and spirituality, providing historical context for understanding virtue development. Finally, for clinical practitioners, we describe the strengths-based model of clinical practice—introduced by humanistic psychology and popularized by positive psychology—which shifted away from the medical model of psychology that dominated the twentieth century.
Measurement at the Intersection of Positive Psychology and the Psychology of Religion/Spirituality
Authors: Hill Peter C. , DiFonzo Nicholas , Jones C. Eric , Bell Justin S.
Published: November 2022

A catalogue and exploration of measures at the intersection of virtues and character strengths (VCS) and the psychology of religion/spirituality (R/S) can inform theoretically interesting and practically valuable questions involving the VCS–R/S relationship. We review a select group of measures in the psychology of R/S through the lens of positive psychology’s six core virtues (wisdom/knowledge, courage, humanity, justice, temperance, and transcendence) and 24 character strengths, as articulated by Peterson and Seligman (Character strengths and virtues: a handbook and classification. Oxford University Press, 2004). To accomplish this goal, we examined 200 measures in the psychology of R/S and determined whether or not each of the 24 character strengths is also assessed by the scale. For example, a scale measuring daily spiritual experiences also measures love (a character strength associated with the virtue of humanity), appreciation of beauty and excellence, and gratitude (character strengths of the virtue of transcendence). Additionally, we explore how religious/spiritual context may shape conceptualization and measurement of VCS constructs, thus affording a clearer understanding of both the virtue and the religious/spiritual context. We caution that drawing conclusions without a consideration of the religious/spiritual worldview context of the populations being studied may risk a distorted understanding of VCS. Online access to characterological ratings of 200 religious/spiritual scales is provided.
Methodological Diversity in Positive Psychology and the Psychology of Religion and Spirituality
Authors: Tsang Jo-Ann , Al-Kire Rosemary L. , Davis Edward B. , Alwood Hilary N. , Rowatt Wade C.
Published: November 2022

Although psychologists were certainly not the first to study flourishing, virtues, spirituality, and religiousness, one of their key contributions has been to examine these constructs using the scientific method. Complex concepts such as gratitude, humility, spirituality, and religiousness present unique challenges to researchers, requiring them to utilize equal doses of scientific rigor and methodological ingenuity. In this chapter, we describe some of these efforts in both positive psychology and the psychology of religion/spirituality (R/S). Specifically, we provide examples of research using correlational cross-sectional data, longitudinal data, experiments, field research, and qualitative and mixed methods. We then discuss the strengths and weaknesses of using each approach to study positive psychological and religious/spiritual constructs. We note some advances in technology that may open new directions for research, and we discuss future directions for the fields, including issues of research transparency and the need for cross-cultural research.
Asymptotic Freeness of Layerwise Jacobians Caused by Invariance of Multilayer Perceptron: The Haar Orthogonal Case
Authors: Collins Benoît , Hayase Tomohiro
Published: November 2022

Free Probability Theory (FPT) provides rich knowledge for handling mathematical difficulties caused by random matrices appearing in research related to deep neural networks (DNNs), such as the dynamical isometry, Fisher information matrix, and training dynamics. FPT suits these researches because the DNN’s parameter-Jacobian and input-Jacobian are polynomials of layerwise Jacobians. However, the critical assumption of asymptotic freeness of the layerwise Jacobian has not been proven mathematically so far. The asymptotic freeness assumption plays a fundamental role when propagating spectral distributions through the layers. Haar distributed orthogonal matrices are essential for achieving dynamical isometry. In this work, we prove asymptotic freeness of layerwise Jacobians of multilayer perceptron (MLP) in this case. A key to the proof is an invariance of the MLP. Considering the orthogonal matrices that fix the hidden units in each layer, we replace each layer’s parameter matrix with itself multiplied by the orthogonal matrix, and then the MLP does not change. Furthermore, if the original weights are Haar orthogonal, the Jacobian is also unchanged by this replacement. Lastly, we can replace each weight with a Haar orthogonal random matrix independent of the Jacobian of the activation function using this key fact.
Strict Quantization of Polynomial Poisson Structures
Authors: Barmeier Severin , Schmitt Philipp
Published: November 2022

We show how combinatorial star products can be used to obtain strict deformation quantizations of polynomial Poisson structures on$${\mathbb {R}}^d$$Rd, generalizing known results for constant and linear Poisson structures to polynomial Poisson structures of arbitrary degree. We give several examples of nonlinear Poisson structures and construct explicit formal star products whose deformation parameter can be evaluated to any real value of$$\hbar $$ħ, giving strict quantizations on the space of analytic functions on$${\mathbb {R}}^d$$Rdwith infinite radius of convergence. We also address further questions such as continuity of the classical limit$$\hbar \rightarrow 0$$ħ→0, compatibility with$$^*$$∗-involutions, and the existence of positive linear functionals. The latter can be used to realize the strict quantizations as$$^*$$∗-algebras of operators on a pre-Hilbert space which we demonstrate in a concrete example.
Is there hierarchical generalization in response-effect learning?
Authors: Eichfelder Lea , Franz Volker H. , Janczyk Markus
Published: November 2022

Ideomotor theory is an influential approach to understand goal-directed behavior. In this framework, response-effect (R-E) learning is assumed as a prerequisite for voluntary action: Once associations between motor actions and their effects in the environment have been formed, the anticipation of these effects will automatically activate the associated motor pattern. R-E learning is typically investigated with (induction) experiments that comprise an acquisition phase, where R-E associations are presumably learned, and a subsequent test phase, where the previous effects serve as stimuli for a response. While most studies used stimuli in the test phase that were identical to the effects in the acquisition phase, one study reported generalization from exemplars to their superordinate category (Hommel et al., Vis Cogn 10:965–986, 2003, Exp. 1). However, studies on so-called R-E compatibility did not report such generalization. We aimed to conceptually replicate Experiment 1 of Hommel et al. (Vis Cogn 10:965–986, 2003) with a free-choice test phase. While we did observe effects consistent with R-E learning when the effects in the acquisition phase were identical to the stimuli in the test phase, we did not observe evidence for generalization. We discuss this with regard to recent studies suggesting that individual response biases might rather reflect rapidly inferred propositional knowledge instead of learned R-E associations.
Enhanced laboratory x-ray particle tracking velocimetry with newly developed tungsten-coated O(50 μm) tracers
Authors: Parker Jason T. , DeBerardinis Jessica , Mäkiharju Simo A.
Published: November 2022

Tracer particles designed specifically for X-ray particle tracking and imaging velocimetry (XPTV and XPIV) are necessary to widen the range of flows that can be studied with these techniques. In this study, we demonstrate in-lab XPTV using new, custom-designed O(50 μm) diameter tungsten-coated hollow carbon spheres and a single energy threshold photon counting detector. To the best knowledge of the authors, these are the first O(50 μm) tracer particles to be developed specifically for X-ray particle velocimetry. To explore the measurement quality enhancement enabled by the new tracer particles and photon counting detector, a well understood Poiseuille pipe flow is measured. The data show agreement with the analytical solution for the depth-averaged velocity profile. The experiment also shows that the tungsten-coated particles achieve higher contrast and are better localized than previously available silver-coated particles, making faster and more precise measurements attainable. The particles are manufactured with a readily scalable chemical vapor deposition process. We further show that laboratory XPTV is practical with currently available energy-resolving photon counting detectors (PCDs), despite their presently lower spatiotemporal resolution compared to scintillating detectors. This finding suggests that energy-thresholding identification of different classes of tracers is feasible, further motivating the exploration of the X-ray tracer particle design space. The latest generation of PCDs is incorporating multiple energy thresholds, and has higher count rate limits. In the near future one could potentially expand on the work presented and track multiple tracer species and scalar fields simultaneously.
Deep learning in drug discovery: an integrative review and future challenges
Authors: Askr Heba , Elgeldawi Enas , Aboul Ella Heba , Elshaier Yaseen A. M. M. , Gomaa Mamdouh M. , Hassanien Aboul Ella
Published: November 2022

Recently, using artificial intelligence (AI) in drug discovery has received much attention since it significantly shortens the time and cost of developing new drugs. Deep learning (DL)-based approaches are increasingly being used in all stages of drug development as DL technology advances, and drug-related data grows. Therefore, this paper presents a systematic Literature review (SLR) that integrates the recent DL technologies and applications in drug discovery Including, drug–target interactions (DTIs), drug–drug similarity interactions (DDIs), drug sensitivity and responsiveness, and drug-side effect predictions. We present a review of more than 300 articles between 2000 and 2022. The benchmark data sets, the databases, and the evaluation measures are also presented. In addition, this paper provides an overview of how explainable AI (XAI) supports drug discovery problems. The drug dosing optimization and success stories are discussed as well. Finally, digital twining (DT) and open issues are suggested as future research challenges for drug discovery problems. Challenges to be addressed, future research directions are identified, and an extensive bibliography is also included.
The Silver Sword and the New Windmill Series: The Legacy of Ian and Anne Serraillier
Authors: West Elizabeth
Published: November 2022

Ian Serraillier is best remembered for his children’s book, The Silver Sword, first published in 1956. However, along with his wife Anne, he was also instrumental in creating The New Windmill Series, an imprint of Heinemann Educational Books, and one of the first collections of teenage fiction aimed for the education market. This article discusses the way in which Serraillier’s ideological beliefs, rooted in his Quaker faith, can be traced not only through his nuanced depiction of children displaced by war in The Silver Sword, but also in his objectives for the New Windmill list. It explores the Serrailliers’ progressive approach to the provision of reading material for young people moving towards adulthood, and their early understanding of the need to broach the contested and complex boundaries between children’s and adults’ fiction. The New Windmill Series was created in 1949 and the Serrailliers remained the list’s editors and driving force for over thirty years, throughout a period of great sociological and political change. Both The Silver Sword and the books selected for The New Windmill list reflect the way in which attitudes towards the sharing of difficult truths and challenging ideas with this audience changed for ever during this time, due in no small part to the work of visionary authors and editors such as the Serrailliers.
The need for evolutionary theory in cancer research
Authors: Boddy Amy M.
Published: November 2022

Sir Richard Peto is well known for proposing puzzling paradoxes in cancer biology—some more well-known than others. In a 1984 piece, Peto proposed that after decades of molecular biology in cancer research, we are still ignorant of the biology underpinning cancer. Cancer is a product of somatic mutations. How do these mutations arise and what are the mechanisms? As an epidemiologist, Peto asked if we really need to understand mechanisms in order to prevent cancer? Four decades after Peto’s proposed ignorance in cancer research, we can simply ask, are we still ignorant? Did the great pursuit to uncover mechanisms of cancer eclipse our understanding of causes and preventions? Or can we get closer to treating and preventing cancer by understanding the underlying mechanisms that make us most vulnerable to this disease?
Phenotypic diversity and selection in biofortified cassava germplasm for yield and quality root traits
Authors: de Carvalho Ravena Rocha Bessa , Bandeira e Sousa Massaine , de Oliveira Luciana Alves , de Oliveira Eder Jorge
Published: November 2022

Increasing carotenoid content and improving other root quality traits has been the focus of cassava biofortification. This study aimed to (i) evaluate the genetic variability for total carotenoid content (TCC), as well as for root yield and root quality attributes; (ii) estimate potentially useful correlations for selection; and (iii) select parents for breeding and estimate the genetic gain. Data from 2011 to 2020 of 265 cassava genotypes with cream and yellow roots were analyzed for dry matter content (DMC), shoot yield, fresh root yield (FRY), dry root yield (DRY), harvest index, average number of roots per plant, starch content, root pulp color, cyanogenic compounds, and TCC. The best linear unbiased predictions showed great phenotypic variation for all traits. Six distinct groups were formed for productive characteristics of root quality, mainly TCC, DMC and FRY. Only TCC showed high broad-sense heritability ($${h}^{2}$$

h

2

= 0.72), while the other traits had low to medium magnitude (0.21 ≤ $${h}^{2}$$

h

2

≤ 0.60). TCC was strongly correlated with pulp color (r = 0.70), but null significance for DMC. The network analysis identified a clear separation between the agronomic and quality attributes of cassava roots. The selection of the 30 genotypes for recombination in the breeding program has the potential to raise TCC by 27.05% and reduce the cyanogenic compounds content by 23.03%, in addition to increasing FRY and DRY by 22.72% and 22.95%, respectively. This is the first consolidated study on the potential of germplasm for the development biofortified cassava cultivars in Brazil.
Crop landraces inventory for Portugal
Authors: Almeida Maria João , Pinheiro de Carvalho Miguel Â. A. , Barata Ana Maria , Magos Brehm Joana , Maxted Nigel
Published: November 2022

The threats to agrobiodiversity ultimately affect our future food security. Countries bonded to national or international biodiversity conservation legislation should conserve and sustainably use their agrobiodiversity. Landraces are a key element of agrobiodiversity which is largely endangered due to lack of their systematic conservation, and partially due to obstacles in developing inventories which may be assigned to the difficulties in applying a standard landrace’ definition and to complications associated with nomenclature (synonyms/homonyms). Effective national conservation of landraces can be best achieved with a comprehensive inventory. In this paper, we developed a comprehensive inventory of food and other Portuguese agricultural landraces by surveying literature, local media, and farms. Farms were selected based on knowledge of experts and using an ecogeographic diversity approach based on Geographic Information Systems. We compiled 14,813 records of 7492 different landraces. Grape vine (Vitis vinifera L.), common beans (Phaseolus vulgaris L.), and maize (Zea mays L. subsp. mays) have the highest number of landraces in Portugal according with the gathered data. Bragança and Faro are the districts with more records of landraces. The landrace inventory for Portugal that we developed is a first iteration of such kind and should be updated systematically.
An Advanced Hierarchical Identity-Based Security Mechanism by Blockchain in Named Data Networking
Authors: Li Bing , Ma Maode
Published: November 2022

Named data networking (NDN) has been viewed as a promising future Internet architecture due to its data-centric design. It requires a new security model that is orienting data but not devices. In this paper, an advanced hierarchical identity-based security mechanism by blockchain (AHISM-B) is to be proposed for the NDN networks. On one hand, the hierarchical identity-based cryptology is used to bind the data name to a public key. The valid public parameters would be requested by consumers with the Interest packets so that consumers would compose producers’ public keys to authenticate producers and verify the integrity of the Data packets. On the other hand, a blockchain is employed to manage public parameters to avoid catastrophes due to a single node failure. Both of the security proof result and the formal validation result indicate that the proposed AHISM-B is secure. Moreover, the simulation results show that the performance of our AHISM-B outperforms that of the classic NDN scheme. Especially, the average response delay of the AHISM-B scheme is less by 8% than that of the classic NDN scheme. With the increase of the average arrival rate of Interest packets, the advantage of the AHISM-B could be enhanced further to 11%.
Bullying and Cyberbullying Perpetration and Victimization: Prospective Within-Person Associations
Authors: Camacho Antonio , Runions Kevin , Ortega-Ruiz Rosario , Romera Eva M.
Published: November 2022

Bidirectional associations between bullying and cyberbullying have consistently identified during adolescence. However, little is known about how this relationship works on the within-person level, after controlling for potential overlap at the between-person level. This study examined the bidirectional longitudinal associations between bullying and cyberbullying perpetration and victimization during 18-month period over four time points. A total of 2835 participants, aged 11 to 16 years in time 1 (50% girls; Mage = 13.13, SD = 1.06) were surveyed. Random intercept cross-lagged analyses revealed the stability of bullying perpetration and victimization. Cyberbullying victimization predicted inversely bullying and cyberbullying perpetration. The results indicate spirals of positive long-term associations between bullying (perpetration and victimization) and cyberbullying perpetration but no long-terms spirals of victimization.
Nomenclature in the online reptile trade
Authors: Lynn Vanessa J. , Roberts David L.
Published: November 2022

The internet has expanded opportunities for wildlife traders to conduct business globally, but monitoring this activity is often challenging. As monitoring techniques frequently employ language-based searches for particular words, it is important to understand the language traders use, particularly the nomenclature used to refer to traded species. We recorded advert data from four UK websites, focusing on reptiles, which constitute a large proportion of the international pet trade. We analysed whether the language types used by advertisers to refer to individual reptiles were associated with certain trader characteristics. We found English common names were the most frequent name type used to refer to species, regardless of the geographical location of the seller and the CITES Appendix listing of the species. However, scientific names were recorded in twice as many adverts for threatened and Near Threatened species as in adverts for non-threatened species, and only scientific names were used for three families: Anguidae, Pseudaspididae and Sphaerodactylidae. These findings could inform the creation of tailored keyword detection tools, which must account for the numerous language types in use within online wildlife trade communities. Future studies should examine the nuances of language used by other online wildlife trader communities in other contexts, such as different online platforms or different languages. The ultimate aim of these language detection tools will be to track in detail trends in the online reptile trade, offering a better understanding of potentially unsustainable trade patterns and helping authorities to enforce laws against illegal online reptile trade.
A Shifting Tripolar Pattern of Antarctic Sea Ice Concentration Anomalies During Multi‐Year La Niña Events
Authors: Zhu Tingting , Yu Jin‐Yi
Published: November 2022

A 2,200‐year CESM1 pre‐industrial simulation is used to contrast Antarctic sea ice concentration (SIC) variations between the first and second austral winters of multi‐year La Niñas. The typical SIC anomaly pattern induced by single‐year La Niñas appears only during the second austral winter of multi‐year La Niñas. A similar pattern, but zonally shifted compared to the typical one, is found during the first winter and exhibits a tripolar pattern with anomaly centers over the Ross, Amundsen‐Bellingshausen, and Weddell Seas. The shift is a result of the pre‐onset conditions associated with multi‐year La Niñas that excites unique atmospheric circulation modes during the first winter. The distinct zonally‐shifted SIC anomaly pattern is observed in four of the six multi‐year La Niña events during the period 1979–2020. These results suggest that it is helpful to separate La Niñas into single and multi‐year events to better understand the La Niña impacts on Antarctic climate.