bluuebunny/crossref_metadata_2025_split huggingface dataset:
New Type of Aromatic π‐Systems for Anion Recognition: Strong Anion‐π and C−H⋅⋅⋅Anion Interactions Between Halides and Aromatic Ligands in Half‐Sandwich Compounds
Authors: Malenov Dušan P. , Zarić Snežana D. 
Published: November 2021

AbstractHalf‐sandwich compounds of benzene, cyclopentadienyl, pentamethylcyclopentadienyl, and indenyl were studied as a new type of aromatic π‐systems for interactions with halide anions. Although uncoordinated benzene forms only C−H⋅⋅⋅anion interactions, and hexafluorobenzene forms only anion‐π interactions, aromatic ligands in half‐sandwich compounds can form both types of interactions, because their entire electrostatic potential surface is positive. These aromatic ligands can form stronger anion‐π interactions than organic aromatic molecules, as a consequence of more pronounced dispersion and induction energy components. Moreover, C−H⋅⋅⋅anion interactions of aromatic ligands are stronger than anion‐π interactions, and significantly stronger than C−H⋅⋅⋅anion interactions of benzene. Our study shows that transition‐metal coordination can make aromatic moieties suitable for strong interactions with anions, and gives insight into the design of new anion receptors.
Fumarate hydratase variant prevalence and manifestations among individuals receiving germline testing
Authors: Lu Eric , Hatchell Kathryn E. , Nielsen Sarah M. , Esplin Edward D. , Ouyang Karen , Nykamp Keith , Zavoshi Shirin , Li Shantao , Zhang Liying , Wilde Blake R. , Christofk Heather R. , Boutros Paul C. , Shuch Brian 
Published: November 2021

BackgroundGermline variants in fumarate hydratase (FH) are associated with autosomal dominant (AD) hereditary leiomyomatosis and renal cell cancer (HLRCC) and autosomal recessive (AR) fumarase deficiency (FMRD). The prevalence and cancer penetrance across different FH variants remain unclear.MethodsA database containing 120,061 records from individuals undergoing cancer germline testing was obtained. FH variants were classified into 3 categories: AD HLRCC variants, AR FMRD variants, and variants of unknown significance (VUSs). Individuals with variants from these categories were compared with those with negative genetic testing.ResultsFH variants were detected in 1.3% of individuals (AD HLRCC, 0.3%; AR FMRD, 0.4%; VUS, 0.6%). The rate of AD HLRCC variants discovered among reportedly asymptomatic individuals without a clear indication for HLRCC testing was 1 in 2668 (0.04%). In comparison with those with negative genetic testing, the renal cell carcinoma (RCC) prevalence was elevated with AD HLRCC variants (17.0% vs 4.5%; P < .01) and VUSs (6.4% vs 4.5%; P = .02) but not with AR FMRD variants.ConclusionsThe prevalence of HLRCC discovered incidentally on germline testing is similar to recent population carrier estimates, and this suggests that this is a relatively common cancer syndrome. Compared with those with negative genetic testing, those with VUSs had an elevated risk of RCC, whereas those with AR FMRD variants did not.
How therapists' emotion recognition relates to therapy process and outcome
Authors: Abargil Maayan , Tishby Orya 
Published: November 2021

AbstractEmpathy is an essential characteristic for therapists that explained 9% of the variance in treatment outcomes. Many measures of empathy are based on self‐report questionnaires. Therefore, they reflect how a person perceives his empathic abilities, which can be biased from his true abilities. The ability to recognize emotions has been found to be related to empathy and serves as a measure for the use of empathic abilities. In this study, we examined therapists' empathic abilities, using a novel task for recognizing emotions, and looked at how they related to the therapy process and outcomes. The study included 33 patient–therapist dyads. Therapist empathy was assessed with an emotion detection task, the JeFEE. Clients filled questionnaires after each session regarding therapy progress and their symptoms. We found that emotion recognition moderated the change in (a) client secure attachment to therapist, (b) client avoidant attachment to therapist, (c) client working alliance, (d) client rate of tense or upset they felt during the session, (e) client lack of emotional clarity of emotions, (f) client non‐acceptance of emotional responses, (g) client overall emotion regulation and (h) client main target complaint. Implication for therapy and therapists' selection and training are discussed.
Psychotherapists' acceptance of telepsychotherapy during the COVID‐19 pandemic: A machine learning approach
Authors: Békés Vera , Aafjes‐van Doorn Katie , Zilcha‐Mano Sigal , Prout Tracy , Hoffman Leon 
Published: November 2021

AbstractObjectiveThis study aimed to develop predictive models of three aspects of psychotherapists' acceptance of telepsychotherapy (TPT) during the COVID‐19 pandemic, attitudes towards TPT technology, concerns about using TPT technology and intention to use TPT technology in the future.MethodTherapists (n = 795) responded to a survey about their TPT experiences during the pandemic, including quality of the therapeutic relationship, professional self‐doubt, vicarious trauma and TPT acceptance. Regression decision tree machine learning analyses were used to build prediction models for each of three aspects of TPT acceptance in a training subset of the data and subsequently tested in the remaining subset of the total sample.ResultsAttitudes towards TPT were most positive for therapists who reported a neutral or strong online working alliance with their patients, especially if they experienced little professional self‐doubt and were younger than 40 years old. Therapists who were most concerned about TPT were those who reported higher levels of professional self‐doubt, particularly if they also reported vicarious trauma experiences. Therapists who reported low working alliance with their patients were least likely to use TPT in the future. Performance metrics for the decision trees indicated that these three models held up well in an out‐of‐sample dataset.ConclusionsTherapists' professional self‐doubt and the quality of their working alliance with their online patients appear to be the most pertinent factors associated with therapists' acceptance of TPT technology during COVID‐19 and should be addressed in future training and research.
Development of rocking isolation bearing system (RIBS) to control excessive seismic responses of bridge structures
Authors: He Xinhao , Unjoh Shigeki 
Published: November 2021

AbstractRocking structures are recognized as an effective seismic response modification technique due to their peculiar dynamic characteristics. Meanwhile, in bridge structures, strong ground motions have frequently caused a rocking motion of pin bearings around their two toes, resulting in the pulling‐out of anchor bolts. This study, motivated by the promising features of rocking behaviors, seeks to develop a rocking isolation bearing system (RIBS) to control excessive response in bridges. An example bridge featuring such a RIBS, consisting of the pin bearings removing anchor bolts to release the rocking motion, the girder type superstructure, and an array of bridge piers, is characterized by a simplified model. Two coefficients of restitution (COR) models are used to investigate the effects of energy dissipation during impact: the Housner model, and a model which simultaneously modifies the velocities of the superstructure and substructures. The dynamic characteristics of RIBS and its control effectiveness on the bridge structure are discussed through a series of dynamic analyses, under both observed ground motions and the design ground motions specified in the Japan Road Association (JRA) design specifications for highway bridges. The simulation results demonstrate that the seismic performance of the bridge structure can be substantially improved, with decreased pier displacement at an allowable bearing rotation level.
Fuzzy map comparisons enable objective hydro‐morphodynamic model validation
Authors: Negreiros Beatriz , Schwindt Sebastian , Haun Stefan , Wieprecht Silke 
Published: November 2021

SummaryNumerical modeling represents a state‐of‐the‐art technique to simulate hydro‐morphodynamic processes in river ecosystems. Numerical models are often validated based on observed topographic change in the form of pixel information on net erosion or deposition over a simulation period. When model validation is performed by a pixel‐by‐pixel comparison of exactly superimposed simulated and observed pixels, zero or negative correlation coefficients are often calculated, suggesting poor model performance. Thus, a pixel‐by‐pixel approach penalizes quantitative simulation errors, even if a model conceptually works well. To distinguish between reasonably well‐performing and non‐representative models, this study introduces and tests fuzzy map comparison methods. First, we use a fuzzy numerical map comparison to compensate for spatial offset errors in correlation analyses. Second, we add a level of fuzziness with a fuzzy kappa map comparison to additionally address quantitative inaccuracy in modeled topographic change by categorizing data. Sample datasets from a physical lab model and datasets from a 6.9 km long gravel–cobble bed river reach enable the verification of the relevance of fuzzy map comparison methods. The results indicate that a fuzzy numerical map comparison is a viable technique to compensate for model errors stemming from spatial offset. In addition, fuzzy kappa map comparisons are suitable for objectively expressing subjectively perceived correlation between two maps, provided that a small number of categories is used. The methods tested and the resulting spatially explicit comparison maps represent a significant opportunity to improve the evaluation and potential calibration of numerical models of river ecosystems in the future.
Emerging role of microalgae in heavy metal bioremediation
Authors: Manikandan Arumugam , Suresh Babu Palanisamy , Shyamalagowri Shanmugasundaram , Kamaraj Murugesan , Muthukumaran Peraman , Aravind Jeyaseelan 
Published: November 2021

AbstractMicroalgae have been publicized for their diversified dominance responsiveness and bioaccumulation potential toward pollutants in an ecosystem. Also, algal's incredible capability as biocatalysts in environmental appliances has been well elucidated owing to their robustness and simple nutritional demand. Additionally, microalgae can deliver various collections of bio‐based chemical compounds helpful for diversified applications, especially as green alternatives. The environment has been contaminated with various polluting agents; one principal polluting agent is heavy metals which are carcinogenic and show toxicity even in minimal quantity, cause unsatisfactory threats to the environmental ecosystem, including human and animal health. There is a prominent tendency to apply microalgae in the phytoremediation of heavy metals compounds because of its vast benefits, including great accessibility, cost‐effective, excellent toxic metal eliminating efficiency, and nontoxic to the ecosystem. This review uncovers the most recent advancements and mechanisms associated with the bioremediation process and biosorption interaction of substantial harmful synthetic compounds processing microalgae species. Furthermore, future challenges and prospects in the utilization of microalgae in heavy metals bioremediation are also explored. The current review aims to give valuable information to aid the advancement of robust and proficient future microalgae‐based heavy metal bioremediation innovations and summarizing a wide range of benefits socioeconomic scope to be employed in heavy metal compound removal in environment system.
Mass spectrometry‐based targeted proteomics for analysis of protein mutations
Authors: Lin Tai‐Tu , Zhang Tong , Kitata Reta B. , Liu Tao , Smith Richard D. , Qian Wei‐Jun , Shi Tujin 
Published: November 2021

AbstractCancers are caused by accumulated DNA mutations. This recognition of the central role of mutations in cancer and recent advances in next‐generation sequencing, has initiated the massive screening of clinical samples and the identification of 1000s of cancer‐associated gene mutations. However, proteomic analysis of the expressed mutation products lags far behind genomic (transcriptomic) analysis. With comprehensive global proteomics analysis, only a small percentage of single nucleotide variants detected by DNA and RNA sequencing have been observed as single amino acid variants due to current technical limitations. Proteomic analysis of mutations is important with the potential to advance cancer biomarker development and the discovery of new therapeutic targets for more effective disease treatment. Targeted proteomics using selected reaction monitoring (also known as multiple reaction monitoring) and parallel reaction monitoring, has emerged as a powerful tool with significant advantages over global proteomics for analysis of protein mutations in terms of detection sensitivity, quantitation accuracy and overall practicality (e.g., reliable identification and the scale of quantification). Herein we review recent advances in the targeted proteomics technology for enhancing detection sensitivity and multiplexing capability and highlight its broad biomedical applications for analysis of protein mutations in human bodily fluids, tissues, and cell lines. Furthermore, we review recent applications of top‐down proteomics for analysis of protein mutations. Unlike the commonly used bottom‐up proteomics which requires digestion of proteins into peptides, top‐down proteomics directly analyzes intact proteins for more precise characterization of mutation isoforms. Finally, general perspectives on the potential of achieving both high sensitivity and high sample throughput for large‐scale targeted detection and quantification of important protein mutations are discussed.
Season and Discharge Predict Downstream Emigration Rates for Reservoir Sport Fish Populations
Authors: Shane Keith D. , Page Kevin S. , Pritt Jeremy J. , Conroy Joseph D. , Marschall Elizabeth A. 
Published: November 2021

Abstract
Given the importance of reservoir fisheries and the investments made by fisheries management agencies to create and maintain these fisheries, the loss of reservoir-stocked fish through downstream emigration warrants action to be taken to understand and prevent it. The factors driving emigration of reservoir fish and the measurable effects of emigration on fish population dynamics are not well understood. In this study, we sought to understand the seasonal emigration patterns of two popular sport fish, saugeye (female Walleye Sander vitreus × male Sauger Sander canadensis) and Muskellunge Esox masquinongy, and determine if their annual declines in abundance were correlated with predicted annual emigration rates. We modeled daily emigration probabilities of saugeye and Muskellunge from PIT tag data collected in the dam spillway of an Ohio reservoir. Using data on discharge from previous years, these models were used to estimate annual emigration rates, which were regressed against historical catch data to test whether emigration explained annual cohort declines. Our models showed that downstream emigration from the reservoir occurred primarily during spring for both species, especially during periods of high reservoir discharge. All saugeye and nearly all Muskellunge emigrants were adults, with 13% of tagged adult saugeye and 17% of tagged adult Muskellunge emigrating. Our models predicted historical annual emigration losses (across all age-classes) as high as 24% for saugeye and 8.6% for Muskellunge. Furthermore, historical annual emigration rates were negatively related to catch rates for both species. These results illustrate that, depending on flow regime and seasonal effects on fish movements, emigration can have measurable effects on reservoir sport fish populations. As such, it is important to understand the factors driving downstream migration and use this understanding to inform decisions on potential mitigation of emigration as well as fish stocking decisions.
A Koiter reduction technique for the nonlinear thermoelastic analysis of shell structures prone to buckling
Authors: Liguori Francesco S. , Magisano Domenico , Madeo Antonio , Leonetti Leonardo , Garcea Giovanni 
Published: November 2021

AbstractThe multi‐modal Koiter method is a reduction technique for estimating quickly the nonlinear buckling response of structures under mechanical loads requiring a fine discretization. The reduced model is based on a quadratic approximation of the full model using a few linear buckling modes and their second order corrections, followed by the projection of the equilibrium equations onto the modal subspace. In this article, the method is reformulated for geometrically nonlinear thermoelastic analyses of shell structures. The starting point is an isogeometric solid‐shell discretization with an accurate modeling of thermal strains, temperature‐dependent materials and general temperature distributions. The equilibrium path is defined as a displacement versus temperature amplifier curve, while mechanical loads are kept constant. The strain energy nonlinearity with respect to the temperature amplifier is the main obstacle in the definition of an accurate reduced model. This task is achieved by coherent asymptotic expansions in mixed form using independent stress variables at the integration points and accurate linear buckling modes obtained by a two‐point mixed eigenvalue problem. Structures made of isotropic and multi‐layered composite materials, including variable angle tow laminates, are considered to show the accuracy of the proposed method.
Cardiorenal outcomes in eligible patients referred for bariatric surgery
Authors: Dash Satya , Everett Karl , Jackson Timothy , Okrainec Allan , Urbach David R. , Sockalingam Sanjeev , Shah Baiju R. , Farkouh Michael E. 
Published: November 2021

AbstractObjectiveBariatric surgery is associated with reduced atherosclerotic cardiovascular disease (CVD) and heart failure hospitalization in people with type 2 diabetes (T2D) and those with prior CVD. Most patients undergoing bariatric surgery do not have T2D or CVD. Many otherwise eligible patients do not have surgery because of self‐exclusion. Clinical outcomes in these groups are less established.MethodsThis study retrospectively assessed cardiorenal outcomes in 8,568 patients after acceptance of referral for surgery.ResultsA total of 63.8% patients did not undergo surgery. After multivariate adjustment for sex, age, BMI, income quintile, distance from hospital, hypertension, T2D, and CVD, hazard ratios (HR) for the primary (incident myocardial infarction, stroke, heart failure hospitalization, and death; HR = 0.52, 95% CI: 0.4‐0.66) and secondary CVD outcomes (primary outcomes and coronary/carotid revascularization; HR = 0.53, 95% CI: 0.42‐0.67) were lower in the surgery cohort. This reduction was seen in those with (primary: HR = 0.45, 95% CI: 0.32‐0.63, secondary: HR = 0.47, 95% CI: 0.34‐0.65) and without T2D (primary: HR = 0.61, 95% CI: 0.42‐0.88, secondary: HR = 0.53, 95% CI: 0.42‐0.67). Reduced kidney disease (HR = 0.46, 95% CI: 0.22‐0.92) but increased liver disease hospitalization (HR = 2.5, 95% CI: 1.45‐4.27) was observed with surgery.ConclusionsNon‐progression to surgery associates with increased CVD despite low baseline prevalence of CVD. The cardiorenal benefits of bariatric surgery warrant confirmation in a well‐powered randomized clinical trial.
Comparative study of CF4 + O2 and C6F12O + O2 plasmas for reactive‐ion etching applications
Authors: Lim Nomin , Efremov Alexander , Woo Byungjun , Kwon Kwang‐Ho 
Published: November 2021

AbstractThis work represents a comparative study of gas‐phase parameters and reactive‐ion etching kinetics for Si and Si and SiO2 in CF4 + O2 and C6F12O + O2 plasmas. An interest to the C6F12O gas is because it combines the low global warming potential (low environmental impact) and weakly studied dry etching performance. It was shown that the investigated gas systems showed similar effects of processing conditions on electron‐ and ion‐related plasma parameters as well as on the densities of F and O atoms. Etching experiments showed identical behaviors of Si and SiO2 etching rates as well as very similar SiO2/Si etching selectivities. The notable feature of the C6F12O + O2 plasma is only the systematically lower absolute etching rates that correlate with lower in F atom densities.
Evaluation of point forecasts for extreme events using consistent scoring functions
Authors: Taggart Robert 
Published: November 2021

AbstractWe present a method for comparing point forecasts in a region of interest, such as the tails or centre of a variable's range. This method cannot be hedged, in contrast to selecting events conditionally to evaluate and then using a scoring function that would have been consistent (or proper) prior to event selection. Our method also gives decompositions of scoring functions that are consistent for the mean or a particular quantile or expectile. Each member of each decomposition is itself a consistent scoring function that emphasises performance over a selected region of the variable's range. The score of each member of the decomposition has a natural interpretation rooted in optimal decision theory. It is the weighted average of economic regret over user decision thresholds, where the weight emphasises those decision thresholds in the corresponding region of interest.
Optimizing Allogeneic Grafts in Hematopoietic Stem Cell Transplantation
Authors: Xu Zheng-Li , Huang Xiao-Jun 
Published: November 2021

AbstractAllogeneic hematopoietic stem cell transplantation (allo-HSCT) is widely used in the treatment of hematological diseases. It is well known that allogeneic grafts play a key role in predicting transplantation prognosis. Hematopoietic stem cells (HSCs) are a functional part of grafts and are capable of reconstructing hematopoiesis and immunity, but purified HSCs have not been identified or isolated to date. In clinical practice, allogeneic grafts have been optimized to improve transplantation outcomes. The optimized grafts are considered to engraft successfully, reconstruct immunity rapidly, and exert a graft-vs-leukemia (GVL) effect without causing severe graft-vs-host disease (GvHD). In the last several decades, considerable efforts have been made in searching for optimized grafts based on different graft manipulation approaches and different graft sources. Currently, there is no uniform standard for optimized grafts in allogeneic transplantation. In the future, sorting out the cellular elements responsible for the effects of allo-HSCT might be a research direction for further optimization of grafts. In this review, we propose the concept of optimized grafts and summarize the recent advances made in the process of optimizing grafts.