bluuebunny/crossref_metadata_2025 huggingface dataset:
Conceptualizing the evolutionary quantitative genetics of phenological life-history events: Breeding time as a plastic threshold trait
Authors: Reid Jane M. , Acker Paul
Published: April 2022

Successfully predicting adaptive phenotypic responses to environmental changes, and predicting resulting population outcomes, requires that additive genetic (co)variances underlying microevolutionary and plastic responses of key traits are adequately estimated on appropriate quantitative scales. Such estimation in turn requires that focal traits, and their underlying quantitative genetic architectures, are appropriately conceptualized. Here, we highlight that directly analyzing observed phenotypes as continuously distributed quantitative traits can potentially generate biased and misleading estimates of additive genetic variances and individual-by-environment and gene-by-environment interactions, and hence of forms of plasticity and genetic constraints, if in fact the underlying biology is best conceptualized as an environmentally sensitive threshold trait. We illustrate this scenario with particular reference to the key phenological trait of seasonal breeding date, which has become a focus for quantifying joint microevolutionary, plastic, and population responses to environmental change, but has also become a focus for highlighting that predicted adaptive outcomes are not always observed. Specifically, we use simple simulations to illustrate how potentially misleading inferences on magnitudes of additive genetic variance, and forms of environmental interactions, can arise by directly analyzing observed breeding dates if the transition to breeding in fact represents a threshold trait with latent-scale plasticity. We summarize how existing and new datasets could be (re)analyzed, potentially providing new insights into how critical microevolutionary and plastic phenological responses to environmental variation and change can arise and be constrained.
Relationship between controlled attenuated parameter and magnetic resonance imaging–proton density fat fraction for evaluating hepatic steatosis in patients with NAFLD
Authors: An Ziming , Liu Qiaohong , Zeng Wenli , Wang Yan , Zhang Qian , Pei Huafu , Xin Xin , Yang Shuohui , Lu Fang , Zhao Yu , Hu Yiyang , Feng Qin
Published: April 2022

We used cross‐sectional and longitudinal studies to comprehensively compare hepatic steatosis measurements obtained with magnetic resonance imaging–proton density fat fraction (MRI‐PDFF) and controlled attenuated parameter (CAP) in hepatic steatosis in adults with nonalcoholic fatty liver disease (NAFLD). A total of 185 participants with NAFLD and 12 non‐NAFLD controls were recruited. CAP and MRI‐PDFF data were collected at baseline from all participants and from 95 patients included in the longitudinal study after 24 weeks of drug or placebo intervention. Pearson correlation, linear regression, and piecewise linear regression analyses were used to evaluate the relationship between the two modalities. Linear analysis suggested a positive correlation between CAP and MRI‐PDFF (r = 0.577, p < 0.0001); however, piecewise linear regression showed no correlation when CAP was ≥331 dB/m (p = 0.535). In the longitudinal study, both the absolute and relative change measurements were correlated between the two modalities; however, the correlation was stronger for the relative change (relative r = 0.598, absolute r = 0.492; p < 0.0001). Piecewise linear regression analysis revealed no correlation when CAP was reduced by more than 53 dB/m (p = 0.193). Conclusions: We found a correlation between CAP and MRI‐PDFF measurements for grading hepatic steatosis when CAP was <331 dB/m. While the measured absolute change and relative change were correlated, it was stronger for the relative change. These findings have implications for the clinical utility of CAP or MRI‐PDFF in the clinical diagnosis and assessment of NAFLD.
Fecal microbiota transplant improves cognition in hepatic encephalopathy and its effect varies by donor and recipient
Authors: Bloom Patricia P. , Donlan John , Torres Soto Mariam , Daidone Michael , Hohmann Elizabeth , Chung Raymond T.
Published: April 2022

Early data suggest fecal microbiota transplant (FMT) may treat hepatic encephalopathy (HE). Optimal FMT donor and recipient characteristics are unknown. We assessed the safety and efficacy of FMT in patients with prior overt HE, comparing five FMT donors. We performed an open‐label study of FMT capsules, administered 5 times over 3 weeks. Primary outcomes were change in psychometric HE score (PHES) and serious adverse events (SAEs). Serial stool samples underwent shallow shotgun metagenomic sequencing. Ten patients completed FMT administration and 6‐month follow‐up. Model for End‐Stage Liver Disease (MELD) score did not change after FMT (14 versus 14, p = 0.51). Thirteen minor adverse events and three serious adverse events (two unrelated to FMT) were reported. One SAE was extended‐spectrum beta‐lactamase Escherichia coli bacteremia. The PHES improved after three doses of FMT (+2.1, p < 0.05), after five doses of FMT (+2.9, p = 0.007), and 4 weeks after the fifth dose of FMT (+3.1, p = 0.02). Mean change in the PHES ranged from −1 to +6 by donor. Two taxa were identified by random forest analysis and confirmed by linear regression to predict the PHES— Bifidobacterium adolescentis (adjusted R
2 = 0.27) and B. angulatum (adjusted R
2 = 0.25)—both short‐chain fatty acid (SCFA) producers. Patients who responded to FMT had higher levels of Bifidobacterium as well as other known beneficial taxa at baseline and throughout the study. The FMT donor with poorest cognitive outcomes in recipients had the lowest fecal SCFA levels. Conclusion: FMT capsules improved cognition in HE, with an effect varying by donor and recipient factors (NCT03420482).
More than a feeling: Constructing emotion in theory and practice
Authors: Givens Joel , Wilkinson Brett D.
Published: April 2022

While counselors are both familiar with and proficient in the use of reflecting skills to identify and articulate client feelings, recent empirical research supports the perspective that emotions are co‐constructed, sociocultural categories rather than triggered, universal internal states. Drawing upon Barrett's (2017) theory of constructed emotion, the authors discuss epistemological considerations, the relationship between emotions and core affect, and the relevance of interoceptive processes in the context of predictive mind. Therapeutic methods to co‐construct feeling experiences and implications for counseling practice and research are discussed.
Decoding the reaction mechanism of the cyclocondensation of ethyl acetate2‐oxo‐2‐(4‐oxo‐4H‐pyrido [1.2‐a] pyrimidin‐3‐yl) polyazaheterocycle and ethylenediamine using bond evolution theory
Authors: Maraf Mbah Bake , Idrice Adjieufack Abel , Mekoung Pélagie Manwal A. , Zintchem Auguste Abouem A. , Bebga Gouet , Rhyman Lydia , Ibrahim Mbouombouo Ndassa , Ramasami Ponnadurai
Published: April 2022

We investigated the flow of electron density along the cyclocondensation reaction between ethyl acetate 2‐oxo‐2‐(4‐oxo‐4H‐pyrido[1.2‐a]pyrimidin‐3‐yl) polyazaheterocycle (1) and ethylenediamine (2) at the ωB97XD/6–311++G(d,p)computational method within of bond evolution theory (BET). The exploration of potential energy surface shows that this reaction has three channels (1–3) with the formation of product3viachannel‐2(the most favorable one) as the main product and this is in good agreement with experimental observations. The BET analysis allows identifying unambiguously the main chemical events happening along channel‐2. The mechanism along first step (TS2‐a) is described by a series of four structural stability domains (SSDs), while five SSDs for the last two steps (TS2‐b and TS2‐c). The first and third steps can be summarized as follows, the formation of N1‐C6 bond (SSD‐II), then, the restoration of the nitrogen N1 lone pair (SSD‐III), and finally, the formation of the last O1‐H1 bond (SSD‐IV). For the second step, the formation of hydroxide ion is noted, as a result of the disappearance of V(C6,O7) basin and the transformation of C6‐N1 single bond into double one (SSD‐IV). Finally, the appearance of V(O7,H2) basin lead to the elimination of water molecule within the last domain is observed.
Development of Risk Prediction Model for Grade 2 or Higher Hypocalcemia in Patients With Bone Metastasis Treated With Denosumab Plus Cholecalciferol (Vitamin D3)/Calcium Supplement
Authors: Ikegami Keisuke , Hashiguchi Masayuki , Kizaki Hayato , Yasumuro Osamu , Funakoshi Ryohkan , Hori Satoko
Published: April 2022

Denosumab‐induced hypocalcemia is sometimes severe, and although a natural vitamin D/calcium combination is used to prevent hypocalcemia, some patients rapidly develop severe hypocalcemia even under supplementation. It is clinically important to predict this risk. This study aimed to develop a risk prediction model for grade ≥2 hypocalcemia within 28 days after the first denosumab dose under natural vitamin D/calcium supplementation. Using a large database containing multicenter practice data, 2399 patients with bone metastasis who were treated with denosumab between June 2013 and May 2020 were retrospectively analyzed. Background factors in patients who developed grade ≥2 hypocalcemia within 28 days after the first denosumab dose and those who did not were compared by univariate analysis. Multivariate analysis was conducted to develop a risk prediction model. The model was evaluated for discriminant performance (receiver operating characteristic–area under the curve, sensitivity, specificity) and predictive performance (calibration slope). A total of 124 patients in the hypocalcemia group and 1191 patients in the nonhypocalcemia group were extracted. A risk prediction model consisting of sex, calcium, albumin, alkaline phosphatase, osteoporosis, breast cancer, gastric cancer, proton pump inhibitor combination, and pretreatment with zoledronic acid was developed. The receiver operating characteristic–area under the curve was 0.87. Sensitivity and specificity were 83% and 81%, respectively, and the calibration slope indicated acceptable agreement between observed and predicted risk. This model appears to be useful to predict the risk of denosumab‐induced hypocalcemia and thus should be helpful for risk management of denosumab treatment in patients with bone metastases.
Essential role of membrane vesicles for biological activity of the bacteriocin micrococcin P1
Authors: Liu Yao , Liu Qian , Zhao Lu , Dickey Seth W. , Wang Hua , Xu Rui , Chen Tianchi , Jian Ying , Wang Xi , Lv Huiying , Otto Michael , Li Min
Published: April 2022

Bacterial membrane vesicles (MVs) have recently gained much attention and have been shown to carry a wide diversity of secreted bacterial components. However, it is poorly understood whether MV carriage is an indispensable requirement for a cargo's function. Bacteriocins as weapons of bacterial warfare shape the composition of microbial communities. Many bacteriocins have pronounced hydrophobicity that is imposed by their mechanism of action, but how they diffuse through aqueous environments to reach their target competitors is not known. Here we show that antimicrobial competitive activity of an exemplary hydrophobic bacteriocin of the thiopeptide antibiotic family, micrococcin P1 (MP1), is dependent on incorporation into MVs, which were found to carry MP1 at high concentrations. In contrast, MP1 without MV association was poorly active due to low solubility. Furthermore, we provide previously unavailable evidence that MVs fuse with a Gram‐positive bacterium's cytoplasmic membrane, in this case to deliver a bacteriocin to its intracellular target. Our findings demonstrate how bacteria overcome the problem associated with secreting hydrophobic small molecules and delivering them to their target and show that MVs have a key function in bacterial warfare. Furthermore, our study provides hitherto rare evidence that MVs provide an essential rather than merely accessory function in bacterial physiology.
Kinematic comparisons between mudskipper fins and salamander limbs during terrestrial locomotion
Authors: Quigley Zachary M. G. , Blob Richard W. , Kawano Sandy M.
Published: April 2022

Terrestrial and aquatic environments present drastically different challenges, yet amphibious behaviors evolved multiple times in vertebrates. Terrestrial salamanders are often used to model the locomotion of crownward stem tetrapods, but amphibious fishes may model earlier evolutionary stages as vertebrates became terrestrial. For instance, some early tetrapods may have moved on land with a mudskipper‐like gait. Previously published kinetic data found that the ground reaction forces produced by the pectoral fins of mudskippers (Periophthalmus barbarus) were more medial than the limbs of tiger salamanders (Ambystoma tigrinum), which might elevate bending stresses in the fins. However, kinematic data are needed to explain these kinetic differences. Therefore, we quantified the three‐dimensional kinematics of mudskipper pectoral fins and compared these to published data on tiger salamander limbs. We found that mudskipper pectoral fins generally remained more retracted, extended, and adducted compared to salamander limbs. Kinematic patterns in mudskipper pectoral fins were aligned with published kinetic data and shared a restricted range of motion found in early tetrapods. Our findings demonstrate that mudskipper pectoral fins provide weight support and propulsion but have lower mobility in the proximal versus distal elements, for which greater flexibility in the latter might compensate. Broadly, these data provide new insights into the biomechanics of using fins versus limbs for moving over land and factors that may favor the evolution of different terrestrial gaits.
The question of the question: impactful implementation science to address the HIV epidemic
Authors: Geng Elvin H. , Nash Denis , Phanuphak Nittaya , Green Kimberly , Solomon Sunil , Grimsrud Anna , Sohn Annette H. , Mayer Kenneth H. , Bärnighausen Till , Bekker Linda‐Gail
Published: April 2022

Introduction

Questions about the implementation of evidence‐based intervention to treat and prevent HIV have risen to the top of the field's scientific priorities. Despite the availability of highly efficacious treatment and prevention interventions, impact has fallen short of targets because these interventions are used with insufficient reach, consistency, sustainability and equity in diverse real‐world settings. At present, substantial excitement for implementation science — defined as research methods and strategies to improve use of evidence‐based interventions — has focused on developing and disseminating methods to conduct rigorous research. Yet, impactful answers depend on a sometimes less visible, but even more important, step: asking good questions about implementation.

Discussion

In this commentary, we offer several considerations for researchers formulating implementation research questions based on several distinctive features of the field. First, as findings are used not only by other researchers but by implementers, scientific questions must incorporate a range of stakeholder and community perspectives to be most relevant. Second, real‐world settings are contextually diverse, and the most relevant scientific questions must position answers to make sense within these contexts (whether geographical, organizational and sociological), rather than apart from them. Third, implementation is complex and dynamic; consequently, research questions must make use of emerging standards in describing implementation strategies and their effects whenever possible. Finally, the field of implementation science continues to evolve, so framing problems with a diverse disciplinary lens will enable researchers to pose insightful and impactful questions.

Conclusions

We are now at a juncture marked by both rich evidence‐based interventions and a persistent global pandemic. To achieve continued scientific progress against the HIV epidemic, asking the right questions might be part of the answer itself.
Genetic, biochemical, and clinical spectrum of patients with mitochondrial trifunctional protein deficiency identified after the introduction of newborn screening in the Netherlands
Authors: Schwantje Marit , Fuchs Sabine A. , de Boer Lonneke , Bosch Annet M. , Cuppen Inge , Dekkers Eugenie , Derks Terry G. J. , Ferdinandusse Sacha , Ijlst Lodewijk , Houtkooper Riekelt H. , Maase Rose , van der Pol W. Ludo , de Vries Maaike C. , Verschoof‐Puite Rendelien K. , Wanders Ronald J. A. , Williams Monique , Wijburg Frits , Visser Gepke
Published: April 2022

Long‐chain 3‐hydroxyacyl‐CoA dehydrogenase deficiency (LCHADD) is included in many newborn screening (NBS) programs. Acylcarnitine‐based NBS for LCHADD not only identifies LCHADD, but also the other deficiencies of the mitochondrial trifunctional protein (MTP), a multi‐enzyme complex involved in long‐chain fatty acid β‐oxidation. Besides LCHAD, MTP harbors two additional enzyme activities: long‐chain enoyl‐CoA hydratase (LCEH) and long‐chain ketoacyl‐CoA thiolase (LCKAT). Deficiency of one or more MTP activities causes generalized MTP deficiency (MTPD), LCHADD, LCEH deficiency (not yet reported), or LCKAT deficiency (LCKATD). To gain insight in the outcomes of MTP‐deficient patients diagnosed after the introduction of NBS for LCHADD in the Netherlands, a retrospective evaluation of genetic, biochemical, and clinical characteristics of MTP‐deficient patients, identified since 2007, was carried out. Thirteen patients were identified: seven with LCHADD, five with MTPD, and one with LCKATD. All LCHADD patients (one missed by NBS, clinical diagnosis) and one MTPD patient (clinical diagnosis) were alive. Four MTPD patients and one LCKATD patient developed cardiomyopathy and died within 1 month and 13 months of life, respectively. Surviving patients did not develop symptomatic hypoglycemia, but experienced reversible cardiomyopathy and rhabdomyolysis. Five LCHADD patients developed subclinical neuropathy and/or retinopathy. In conclusion, patient outcomes were highly variable, stressing the need for accurate classification of and discrimination between the MTP deficiencies to improve insight in the yield of NBS for LCHADD. NBS allowed the prevention of symptomatic hypoglycemia, but current treatment options failed to treat cardiomyopathy and prevent long‐term complications. Moreover, milder patients, who might benefit from NBS, were missed due to normal acylcarnitine profiles.
Impact of different dose reduction criteria for anti‐Xa direct oral anticoagulants on bleeding complications: A single center observational study
Authors: Fukaya Hidehira , Oikawa Jun , Nakamura Hironori , Igarashi Tazuru , Fujiishi Tamami , Ishizue Naruya , Yoshizawa Tomoharu , Satoh Akira , Kishihara Jun , Niwano Shinichi , Ako Junya
Published: April 2022

Background

Each direct oral anticoagulant (DOAC) has different dose reduction criteria. Here, we evaluated the differences in the doses of three anti‐Xa DOACs and clinical events based on the dose reduction criteria in patients with atrial fibrillation (AF).

Methods

Consecutive AF patients prescribed with anti‐Xa DOACs [rivaroxaban (Riva), apixaban (Apix), and edoxaban (Edox)] between April 2011 and May 2016 were retrospectively evaluated. The incidences of thromboembolic and bleeding events were evaluated by the end of December 2020, focusing on the dose proportion.

Results

A total of 786 patients (72 ± 10 years old, 66.9% male) were enrolled in this study [Riva (n = 337), Apix (n = 239), and Edox (n = 210)]. The proportion of reduced dose prescriptions was significantly greater for Edox (79.2%) than Riva (38.7%) or Apix (31.9%). A Kaplan–Meier analysis showed that the incidence of minor bleeding was significantly higher in the Apix than other groups (p < .001), even after propensity score matching. The standard dose of Apix had significantly higher bleeding events than the other DOACs (p < .001). Moreover, 23.2% and 51.6% of the patients with a standard dose of Apix were fulfilled with the dose reduction criteria for Riva and Edox and had more minor bleeding events than the unfulfilled ones (p = .046).

Conclusions

The patients with a standard dose of Apix had a higher incidence of minor bleeding events than the other dosages. A reduced dose of apixaban was not prone to being chosen because of the dose reduction criteria, which may have been associated with a higher minor bleeding rate in patients with Apix.
Changes in heat stress considering temperature, humidity, and wind over East Asia under RCP8.5 and SSP5‐8.5 scenarios
Authors: Juzbašić Ana , Ahn Joong‐Bae , Cha Dong‐Hyun , Chang Eun‐Chul , Min Seung‐Ki
Published: April 2022

The net effective temperature (NET), an index that includes the combined effects of temperature, humidity, and wind, was used along with temperature to assess the impacts of climate change on the heat stress perception in East Asia, one of the regions considered most vulnerable to heat stress. The need for dynamic downscaling has been emphasized because the regional effects of climate change do not follow the global levels linearly. In this study, daily maximums calculated from the 3‐hourly data downscaled by five different regional climate models from four coupled general circulation models participating in Coordinated Regional Climate Downscaling Experiment‐East Asia phase 2 were utilized. To account for the fact human beings acclimate to their environments, 95th percentile of the maximum temperature and maximum NET was used along with the average boreal summer maximum temperatures/NETs. The performance of the models was assessed first, which showed that the models reproduced the current climate well. Future projections revealed an increase in both average and 95th percentile of the maximum temperature and NET over the entire domain for both the RCP8.5 and SSP5‐8.5 scenarios. The increase in heat stress (NET) was slightly larger than the temperature itself, with an increase of up to 7/10°C for temperature and 8/11°C for NET in RCP8.5/SSP5‐8.5, respectively. The overall increases in temperature and NET were projected to be higher in the higher latitudes, while the increase in the frequency of the temperature and NET extremes was predicted to be higher in the already vulnerable regions in the southern part of the domain.
Different responses of soil respiration to climate change in permafrost and non‐permafrost regions of the Tibetan plateau from 1979 to 2018
Authors: Pan Yongjie , Li Xia , Li Suosuo , Li Zhaoguo
Published: April 2022

Soil respiration is the primary efflux of carbon dioxide (CO2) in the terrestrial ecosystem. The soil of alpine grassland on the Tibetan Plateau (TP) is rich in soil organic matter, which may release more carbon dioxide as the climate warming. However, due to the limited observations here, there are still deficiencies in understanding the response of soil respiration to climate change, especially the difference between permafrost and non‐permafrost regions. In this paper, we investigate the climatology and trend of soil respiration on the TP from 1979 to 2018, using the Community Land Model version 4.5 (CLM4.5) forced by a suite of high‐resolution atmosphere dataset. Evaluation results show that the land surface model could properly reproduce permafrost extent, and capture the spatial pattern of soil temperature, soil moisture, leaf area index (LAI), and soil respiration. For the whole TP, we find that the spatial pattern for both climatology and trends of soil respiration are correlated with LAI significantly and positively. In addition to the effects of vegetation, precipitation was more correlated with soil respiration than temperature among climatic variables in recent decades. For permafrost and non‐permafrost regions, climate change affects soil respiration in different ways. In permafrost areas, precipitation plays a more important role than temperature. Conversely, in non‐permafrost regions, temperature has a more pronounced effect on soil respiration. The results of this study provide valuable information for predicting greenhouse gas emissions and understanding the carbon cycle on the TP.
Towards a circular economy: The influence of extraction methods on phytosynthesis of metallic nanoparticles and their impact on crop growth and protection
Authors: Rabalao Tshegofatso M. , Ndaba Busiswa , Roopnarain Ashira , Vatsha Banele
Published: April 2022

The increasing food demand owing to aggressive population growth, accompanied by climate change‐related challenges necessitates new, eco‐friendly strategies for sustainable agriculture. Traditional inorganic fertilizers and pesticides for enhanced crop production are usually leached to waterways, leading to detrimental environmental health. Hence, the evolution of smart fertilizers or controlled release of agricultural ingredients is required to reduce and/or minimize leaching and maximize crop productivity. Smart fertilizers include engineered nanoparticles with a large surface area in comparison to their bulk counterparts. This beneficial property can increase soil fertility, crop productivity, and nutrient use efficiency. For a sustainable trajectory, cost‐effective and green synthetic methods for the preparation of such nanoparticles are urgently needed. Thus, research on the use of plant extracts as a green approach in the preparation of nanoparticles has largely increased over the years. Whilst several studies have been published on the green synthesis of nanoparticles, the extraction method in relation to nanoparticle quality has not been extensively explored. This review therefore provides the synthetic protocols of nanoparticles from the plant‐derived extracts and how plant extraction methods influence the morphology of the nanoparticles and thus their application for plant growth and protection.
Computer‐assisted and navigated piezoelectric surgery: A new technology to improve precision and surgical safety in craniomaxillofacial surgery
Authors: Dean Alicia , Heredero‐Jung Susana , Solivera Juan , Sanjuan Alba , Alamillos‐Granados Francisco Jesús
Published: April 2022

Background

Computer‐assisted navigated piezoelectric surgery (CANPS) is a surgical technique that combines the surgical navigation with a piezoelectric device. This association multiplies the advantages of both technologies, taking the best of each one providing a synergistic association.

Objective

To describe and assess the indications, advantages, disadvantages, and complications of this association of surgical techniques.

Methods

CANPS was used in 32 patients. The clinical diagnosis was facial trauma, tumors, orthognathic surgeries, temporomandibular joint ankylosis, pathology of the frontal sinus, and alveolar distraction. Nineteen patients were men and 13 were women. Planning software iPlan 3.05 of Brainlab, and Elements of Brainlab were used for planning and the Kolibri and Kurve of Brainlab for surgical navigation. The piezoelectric device used was a “Vercelotti” type in all patients.

Results

CAPNS could be performed successfully in all cases without complications and reduced the surgeon's uncertainty during the osteotomies. There is continuous control of the position of the surgical instrument. The use of the navigated piezoelectric device allowed the surgeon's uncertainty to be reduced during the performance of the osteotomies in depth, in poorly visible areas, with little access or reduced visibility. It also increases the safety of bone resections near important anatomical structures.

Conclusions

CANPS combines the advantages of piezoelectric surgery and navigation. CANPS affords real‐time control of the position of the cutting tip and allows semiburied approaches. CANPS allows surgery to be precise, safer, and minimally invasive.
Thermally Activated Delayed Fluorescent (TADF) Mono‐Polymeric OLED with Higher EQE over Its TADF Repeating Unit
Authors: Zhang Jiasen , Wei Qiang , Lyu Lingling , Cao Liang , Zhao Mengyu , Fei Nannan , Wang Tao , Ge Ziyi
Published: April 2022

Thermally activated delayed fuorescent (TADF) polymers are very suitable for fabricating highly efficient solution‐processed organic light emitting diodes (OLEDs). TADF homopolymers with simple structures are much preferred for preparation, but due to the triplet–triplet annnihilation, most TADF homopolymeric OLED exhibits lower external quantum efficiency (EQE) than its TADF repeating unit. Herein, two series small molecules (CzPhO and PxPhO) and their related mono‐polymers (PCzPhO and PPxPhO) are designed and synthesized for comparison. Among them, phenoxazine‐based materials show TADF properties compared to the carbazole‐based materials, which may be due to the enhanced electron donating ability of phenoxazine unit. In addition, the solution‐processed devices based on phenoxazine‐based polymer PPxPhO give excellent performance compared to their counterparts with the EQEmax of 11.8%.
Discard Mortality of Sea Scallops Placopecten magellanicus Following Capture and Handling in the U.S. Dredge Fishery
Authors: Rudders David B. , Benoît Hugues P. , Knotek Ryan J. , Mandelman John A. , Roman Sally A. , Sulikowski James A.
Published: April 2022

Discard mortality can represent a potentially significant source of uncertainty for both stock assessments and fishery management measures. While the family Pectinidae is considered to be robust to the capture and handling process, understanding species-specific discard mortality rates is critical to characterize both population dynamics and to develop regulatory measures to meet management objectives. The discard mortality rate for the U.S. dredge fishery of sea scallop Placopecten magellanicus was estimated empirically via a retention study aboard industry vessels under commercial conditions. Over 16,000 sea scallops were assessed via a composite index of scallop vitality that consisted of semiqualitative measures of both overt trauma (shell damage) and response to stimuli. Results indicate that overall sea scallop discard mortality was 21% and consistent with the values currently assumed in the stock assessment. Survival mixture models support the utility of a simple metric of physical trauma as an effective predictor of mortality. Exposure time was also identified as a positively correlated factor that was important in describing the discard mortality process. Application of experimental results highlight the need to consider some operational characteristics of the fishery to reduce potential discard mortality.
Impact of material homogeneity assumption on cortical stiffness estimates by MR elastography
Authors: Scott Jonathan M. , Pavuluri KowsalyaDevi , Trzasko Joshua D. , Manduca Armando , Senjem Matthew L. , Huston John , Ehman Richard L. , Murphy Matthew C.
Published: April 2022

Purpose

Inversion algorithms used to convert acquired MR elastography wave data into material property estimates often assume that the underlying materials are locally homogeneous. Here we evaluate the impact of that assumption on stiffness estimates in gray‐matter regions of interest in brain MR elastography.

Methods

We describe an updated neural network inversion framework using finite‐difference model–derived data to train convolutional neural network inversion algorithms. Neural network inversions trained on homogeneous simulations (homogeneous learned inversions [HLIs]) or inhomogeneous simulations (inhomogeneous learned inversions [ILIs]) are generated with a variety of kernel sizes. These inversions are evaluated in a brain MR elastography simulation experiment and in vivo in a test–retest repeatability experiment including 10 healthy volunteers.

Results

In simulation and in vivo, HLI and ILI with small kernels produce similar results. As kernel size increases, the assumption of homogeneity has a larger effect, and HLI and ILI stiffness estimates show larger differences. At each inversion's optimal kernel size in simulation (7 × 7 × 7 for HLI, 11 × 11 × 11 for ILI), ILI is more sensitive to true changes in stiffness in gray‐matter regions of interest in simulation. In vivo, there is no difference in the region‐level repeatability of stiffness estimates between the inversions, although ILI appears to better maintain the stiffness map structure as kernel size increases, while decreasing the spatial variance in stiffness estimates.

Conclusions

This study suggests that inhomogeneous inversions provide small but significant benefits even when large stiffness gradients are absent.
The influence of cystathionine on neurochemical quantification in brain tumor in vivo MR spectroscopy
Authors: Branzoli Francesca , Deelchand Dinesh K. , Liserre Roberto , Poliani Pietro Luigi , Nichelli Lucia , Sanson Marc , Lehéricy Stéphane , Marjańska Małgorzata
Published: April 2022

Purpose

To evaluate the ability of the PRESS sequence (TE = 97 ms, optimized for 2‐hydroxyglutarate detection) to detect cystathionine in gliomas and the effect of the omission of cystathionine on the quantification of the full neurochemical profile.

Methods

Twenty‐three subjects with a glioma were retrospectively included based on the availability of both MEGA‐PRESS and PRESS acquisitions at 3T, and the presence of the cystathionine signal in the edited MR spectrum. In eight subjects, the PRESS acquisition was performed also in normal tissue. Metabolite quantification was performed using LCModel and simulated basis sets. The LCModel analysis for the PRESS data was performed with and without cystathionine.

Results

All subjects with glioma had detectable cystathionine levels >1 mM with Cramér‐Rao lower bounds (CRLB) <15%. The mean cystathionine concentrations were 3.49 ± 1.17 mM for MEGA‐PRESS and 2.20 ± 0.80 mM for PRESS data. Cystathionine concentrations showed a significant correlation between the two MRS methods (r = 0.58, p = .004), and it was not detectable in normal tissue. Using PRESS, 19 metabolites were quantified with CRLB <50% for more than half of the subjects. The metabolites that were significantly (p < .0028) and mostly affected by the omission of cystathionine were aspartate, betaine, citrate, γ‐aminobutyric acid (GABA), and serine.

Conclusions

Cystathionine was detectable by PRESS in all the selected gliomas, while it was not detectable in normal tissue. The omission from the spectral analysis of cystathionine led to severe biases in the quantification of other neurochemicals that may play key roles in cancer metabolism.
Carrying weapons at school: Prevalence and associated factors in Colombian high‐school students
Authors: Jiménez‐Villamizar María P. , Campo‐Arias Adalberto , Caballero‐Domínguez Carmen C.
Published: April 2022

The purpose of this study is to identify the prevalence and factors associated with weapon carrying in Colombian high‐school students. A cross‐sectional study was designed to analyze this phenomenon among students aged between 13 and 17 years. A sample of 1462 students participated, 18.46% of which reported having planned suicide, 56.16% reported having started fighting, 22.57% alcohol drinking, 11.63% cannabis smoking, and 20.45% carrying weapons at school. The phenomenon was later associated with the male gender (odds ratio [OR] = 3.49, 95% confidence interval [CI]: 2.59–4.70), alcohol drinking (OR = 2.67, 95% CI: 1.70–4.20), cannabis smoking (OR = 2.39, 95% CI: 1.55–3.70), use of other substances (OR = 2.52, 95% CI: 1.44–4.44), cigarette smoking (OR = 1.83, 95% CI: 1.16–2.88), starting fighting (OR = 2.30, 95% CI: 1.68–3.16), and suicide planning (OR = 2.05, 95% CI: 1.46–2.90). More proximate situational and contextual factors associated with love behavior in adolescents need to be studied.
Registration of ‘S13‐10592C’, a high‐yielding soybean cultivar with resistance to multiple diseases and elevated oil content
Authors: Chen Pengyin , Shannon J. Grover , Scaboo Andrew , Crisel Melissa , Smothers Scotty , Clubb Michael , Selves Stewart , Canella Vieira Caio , Ali MD Liakat , Lee Dongho , Nguyen Henry , Li Zenglu , Mitchum Melissa Goellner , Bond Jason P. , Meinhardt Clinton G. , Usovsky Mariola , Li Shuxian , Mengistu Alemu , Zhang Bo , Mozzoni Leandro Angel , Robbins Robert T.
Published: April 2022

The conventional soybean [Glycine max (L.) Merr.] cultivar ‘S13‐10592C’ (Reg. no. CV‐547, PI 699629) was released by the University of Missouri–Fisher Delta Research Center soybean breeding program in 2019 to meet the high demand for high‐yielding germplasm with elevated oil content. S13‐10592C was derived from a cross of ‘S08‐17361’ × ‘S05‐11482’, which was designed to combine high yield performance, desirable seed traits, and broad disease resistance. The progeny row designated S13‐10592C was visually selected based on yield potential in 2013 and further tested (2014–2018) in 111 environments across nine states, including Missouri and other southern states. S13‐10592C is resistant to stem canker, sudden death syndrome, and charcoal rot. S13‐10592C is a mid‐maturity group IV (relative maturity 4.6) with indeterminate growth habit, white flowers, tawny pubescence, and a tan pod wall at maturity. Seed of S13‐10592C weighs on average 15.7 g 100–1 seeds and consist of 406.3 g kg–1 protein and 234.5 g kg–1 oil on a dry weight basis, which is capable of producing 48.2% of meal protein.
Integrated bioinformatics–cheminformatics approach toward locating pseudo‐potential antiviral marine alkaloids against SARS‐CoV‐2‐Mpro
Authors: Swain Shasank S. , Singh Satya R. , Sahoo Alaka , Panda Pritam Kumar , Hussain Tahziba , Pati Sanghamitra
Published: April 2022

The emergence of the severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2) with the most contagious variants, alpha (B.1.1.7), beta (B.1.351), delta (B.1.617.2), and Omicron (B.1.1.529) has continuously added a higher number of morbidity and mortality, globally. The present integrated bioinformatics–cheminformatics approach was employed to locate potent antiviral marine alkaloids that could be used against SARS‐CoV‐2. Initially, 57 antiviral marine alkaloids and two repurposing drugs were selected from an extensive literature review. Then, the putative target enzyme SARS‐CoV‐2 main protease (SARS‐CoV‐2‐Mpro) was retrieved from the protein data bank and carried out a virtual screening‐cum‐molecular docking study with all candidates using PyRx 0.8 and AutoDock 4.2 software. Further, the molecular dynamics (MD) simulation of the two most potential alkaloids and a drug docking complex at 100 ns (with two ligand topology files from PRODRG and ATB server, separately), the molecular mechanics/Poisson‐Boltzmann surface area (MM/PBSA) free energy, and contributions of entropy were investigated. Then, the physicochemical‐toxicity‐pharmacokinetics‐drug‐likeness profiles, the frontier molecular orbitals energies (highest occupied molecular orbital, lowest unoccupied molecular orbital, and ΔE), and structural–activity relationship were assessed and analyzed. Based on binding energy, 8‐hydroxymanzamine (−10.5 kcal/mol) and manzamine A (−10.1 kcal/mol) from all alkaloids with darunavir (−7.9 kcal/mol) and lopinavir (−7.4 kcal/mol) against SARS‐CoV‐2‐Mpro were recorded. The MD simulation (RMSD, RMSF, Rg, H‐bond, MM/PBSA binding energy) illustrated that the 8‐hydroxymanzamine exhibits a static thermodynamic feature than the other two complexes. The predicted physicochemical, toxicity, pharmacokinetics, and drug‐likeness profiles also revealed that the 8‐hydroxymanzamine could be used as a potential lead candidate individually and/or synergistically with darunavir or lopinavir to combat SARS‐CoV‐2 infection after some pharmacological validation.
Convective rain cell properties and the resulting precipitation scaling in a warm‐temperate climate
Authors: Purr Christopher , Brisson Erwan , Schlünzen K. Heinke , Ahrens Bodo
Published: April 2022

Convective precipitation events have been shown to intensify at rates exceeding the Clausius–Clapeyron rate (CC rate) of ca. 7% K−1 under current climate conditions. In this study, we relate atmospheric variables (low‐level dew point temperature, convective available potential energy, and vertical wind shear), which are regarded as ingredients for severe deep convection, to properties of convective rain cells (cell area, maximum precipitation intensity, lifetime, precipitation sum, and cell speed). The rain cell properties are obtained from a rain gauge‐adjusted radar dataset in a mid‐latitude region, which is characterized by a temperate climate with warm summers (Germany). Different Lagrangian cell properties scale with dew point temperature at varying rates. While the maximum precipitation intensity of cells scales consistently at the CC rate, the area and precipitation sum per cell scale at varying rates above the CC rate. We show that this super‐CC scaling is caused by a covarying increase of convective available potential energy with dew point temperature. Wind shear increases the precipitation sum per cell mainly by increasing the spatial cell extent. From a Eulerian point of view, this increase is partly compensated by a higher cell velocity, which leads to Eulerian precipitation scaling rates close to and slightly above the CC rate. Thus, Eulerian scaling rates of convective precipitation are modulated by convective available potential energy and vertical wind shear, making it unlikely that present scaling rates can be applied to future climate conditions. Furthermore, we show that cells that cause heavy precipitation at fixed locations occur at low vertical wind shear and, thus, move relatively slowly compared to typical cells.
A review on data fusion in multimodal learning analytics and educational data mining
Authors: Chango Wilson , Lara Juan A. , Cerezo Rebeca , Romero Cristóbal
Published: April 2022

The new educational models such as smart learning environments use of digital and context‐aware devices to facilitate the learning process. In this new educational scenario, a huge quantity of multimodal students' data from a variety of different sources can be captured, fused, and analyze. It offers to researchers and educators a unique opportunity of being able to discover new knowledge to better understand the learning process and to intervene if necessary. However, it is necessary to apply correctly data fusion approaches and techniques in order to combine various sources of multimodal learning analytics (MLA). These sources or modalities in MLA include audio, video, electrodermal activity data, eye‐tracking, user logs, and click‐stream data, but also learning artifacts and more natural human signals such as gestures, gaze, speech, or writing. This survey introduces data fusion in learning analytics (LA) and educational data mining (EDM) and how these data fusion techniques have been applied in smart learning. It shows the current state of the art by reviewing the main publications, the main type of fused educational data, and the data fusion approaches and techniques used in EDM/LA, as well as the main open problems, trends, and challenges in this specific research area.

This article is categorized under:

Application Areas > Education and Learning
Radical Cation Salts of N‐Methylpyridone Azines with Halogenido Cuprate Anions
Authors: Isenberg Rebecca , Krieger‐Beck Petra , Beck Johannes
Published: April 2022

Bis(N‐methylpyridone)azine (MPA) and its derivative bis(N‐methyl‐5‐trifluoromethyl‐pyridone)azine (p‐CF3MPA) are investigated concerning their redox behavior. Reactions with copper(II) halides afford via one electron transfer reactions the radical cation salts MPA[CuCl2], MPA[CuBr2] and p‐CF3MPA[CuBr2], all crystallizing as air‐stable dark needles. Cu(II) is reduced to the corresponding cuprate(I) anions [CuX2]− (X=Cl, Br). In the crystal structures, the planar radical cations form stacks with equidistantly arranged molecules. Low temperature data show a significant lattice parameter contraction resulting in denser packing of the radical cations in the stacking direction. MPA[CuBr2] can be further oxidized by CuBr2 to MPA[Cu2Br4] with MPA2+ in the dicationic state. The oxidation states 0, +1, and +2 of the cations are clearly distinguishable by the bond lengths in the central CNNC azine moiety. All compounds are semiconductors with small band gaps between 0.95 and 1.34 eV. The magnetic properties of MPA[CuX2] are dominated by reduced momenta. At temperatures below 50 K, a small magnetic momentum of about 1/3 of one unpaired electron is observed, which probably arise from paramagnetic impurity in form of Cu2+. For T >50 K magnetic momenta turn into a nearly temperature independent paramagnetism. p‐CF3MPA[CuBr2] is mainly paramagnetic with weak antiferromagnetic exchange (TNéel=6 K, J=−2.1 cm−1).
Experimental Research Designs
Authors: Marcus Pamela M.
Published: April 2022

Randomized controlled trials (RCTs) are experimental in nature because the intervention is assigned at random rather than chosen by the study participant or study researcher. Most RCTs comprise two groups, referred to as trial arms. The intervention arm receives the cancer screening regimen that is under intervention, while the control arm receives no intervention or the current standard of care. The control arm is treated as the counterfactual experience of the intervention arm, which is the hypothetical experience that the intervention arm would have had if the intervention had not been administered. It is the counterfactual principle that allows the outcome to be fully and solely attributable to the intervention, as randomization greatly minimizes the possibility of confounding. In the context of cancer screening, confounding occurs when a third factor is related to both screening activity and cause-specific mortality. Individual-level, cluster-level, and pragmatic RCTs are discussed in detail. Examples of each are provided.
Observational Research Designs
Authors: Marcus Pamela M.
Published: April 2022

Observational studies do not dictate the cancer screening regimens that their study subjects utilize. Instead, these studies collect data on individuals’ cancer screening practices, cancer outcomes, and other factors if needed. Because no regimens are dictated, an observational study can capture information about and evaluate a variety of cancer screening practices, including use of different tests or cancer screening regimens. Observational studies can be retrospective or prospective in nature, with the distinction dependent on how and when individuals are chosen for study inclusion. Observational studies provide weaker evidence than experimental studies because observational studies are subject to confounding. Confounding occurs when a third factor is associated with both the cancer screening practice and cause-specific mortality, meaning that the third factor is not equally present among groups of individuals with different cancer screening practices and is not equally present among groups of individuals with different cancer outcomes.
Additional Considerations
Authors: Marcus Pamela M.
Published: April 2022

The topics presented in this chapter are relevant to assessment of cancer screening but did not have an obvious home in earlier chapters. They are varied in scope and fall into one of three categories: data interpretation, methodology, and policy. Number needed to screen, magnitude of overdiagnosis, and de-implementation are a few of the topics that are discussed in the chapter.