bluuebunny/crossref_metadata_2025_split huggingface dataset:
Predictive performance of presence‐only species distribution models: a benchmark study with reproducible code
Authors: Valavi Roozbeh , Guillera‐Arroita Gurutzeta , Lahoz‐Monfort José J. , Elith Jane 
Published: October 2021

AbstractSpecies distribution modeling (SDM) is widely used in ecology and conservation. Currently, the most available data for SDM are species presence‐only records (available through digital databases). There have been many studies comparing the performance of alternative algorithms for modeling presence‐only data. Among these, a 2006 paper from Elith and colleagues has been particularly influential in the field, partly because they used several novel methods (at the time) on a global data set that included independent presence–absence records for model evaluation. Since its publication, some of the algorithms have been further developed and new ones have emerged. In this paper, we explore patterns in predictive performance across methods, by reanalyzing the same data set (225 species from six different regions) using updated modeling knowledge and practices. We apply well‐established methods such as generalized additive models and MaxEnt, alongside others that have received attention more recently, including regularized regressions, point‐process weighted regressions, random forests, XGBoost, support vector machines, and the ensemble modeling framework biomod. All the methods we use include background samples (a sample of environments in the landscape) for model fitting. We explore impacts of using weights on the presence and background points in model fitting. We introduce new ways of evaluating models fitted to these data, using the area under the precision‐recall gain curve, and focusing on the rank of results. We find that the way models are fitted matters. The top method was an ensemble of tuned individual models. In contrast, ensembles built using the biomod framework with default parameters performed no better than single moderate performing models. Similarly, the second top performing method was a random forest parameterized to deal with many background samples (contrasted to relatively few presence records), which substantially outperformed other random forest implementations. We find that, in general, nonparametric techniques with the capability of controlling for model complexity outperformed traditional regression methods, with MaxEnt and boosted regression trees still among the top performing models. All the data and code with working examples are provided to make this study fully reproducible.
Distribution of the boreal chorus frog (Pseudacris maculata) in an urban environment using environmental DNA
Authors: Dubois‐Gagnon Marie‐Pier , Bernatchez Louis , Bélisle Marc , Dubois Yohann , Mazerolle Marc J. 
Published: October 2021

AbstractThe boreal chorus frog (Pseudacris maculata) is at risk of extinction in parts of its range in Canada. Our objectives were to quantify the influence of local and landscape characteristics on the occurrence of the species in wetlands in southern Québec. We hypothesized that site occupancy depends on local characteristics and landscape characteristics contributing to site connectivity. We developed an environmental DNA (eDNA) method to detect the species and compared the detection probability of this method to traditional call surveys. We collected water samples from a total of 180 sites (90 in 2017, 110 in 2018), whereas we surveyed a subset of 63 sites using both eDNA and call surveys in 2018. Site occupancy varied across years, but was higher in sites where the species had been previously detected during the last 12 years by other studies. Site occupancy did not vary with other local and landscape characteristics, in part due to an apparent decrease in the number of sites occupied by the species since the last 12 years. Detection probability via eDNA (0.81; 95% CI: [0.31; 0.98]) did not differ from that of call surveys (0.62; 95% CI: [0.25; 0.89]). To identify the optimal sampling period for the boreal chorus frog, future studies should estimate the detection probability of eDNA during the breeding season and the larval development period of the species.
Dimethylsulfide Adducts of the Beryllium Halides
Authors: Buchner Magnus R. , Thomas‐Hargreaves Lewis R. , Kreuzer Lukas K. , Spang Nils , Ivlev Sergei I. 
Published: October 2021

AbstractThe thioether diadducts [(SMe2)2BeCl2], [(SMe2)2BeBr2] and [(SMe2)2BeI2] have been prepared and converted to the corresponding μ2‐halido bridged monoadducts [(SMe2)BeCl2]2, [(SMe2)BeBr2]2 and [(SMe2)BeI2]2. These complexes have been characterized with IR and NMR spectroscopy as well as X‐ray crystallography. Furthermore, their long term stability in chlorinated solvents was tested, which yielded beryllate salts containing the [SMe3]+ cation.
Effect of (E,E)‐2,4‐decadienal on Side‐Chain Modification, Conformation Change, and Aggregation of Bovine Serum Albumin
Authors: Li Wenjuan , Wu Yan , Li Conghu , Zhu Liangliang 
Published: October 2021

AbstractProtein modification by active aldehydes is associated with ageing and some chronic diseases, and it is closely related to food quality and safety. In this study, the modification of bovine serum albumin (BSA) using trans,trans‐2,4‐decadienal at various concentrations (0–10 mm) is investigated. The results show that the changes in the number of free amino groups and arginine residues, carbonyl formation, aggregation characteristics, and fluorescent lipofuscin‐like pigments (LFLP) fluorescence are more severe at (E,E)‐2,4‐decadienal concentrations of 4–10 mm, whereas the conformational changes are more significant at low concentrations (0.1–2 mm). In the BSA modified by 1–10 mm (E,E)‐2,4‐decadienal, the microenvironment of tryptophan residues to become more hydrophobic, the structure became compact, hydrophobic binding sites decreases, molecular weight and particle size increases, and covalently cross‐linked heterogeneous aggregates increases. At the same time, the relationship between the oxidation parameters and samples is explained using principal component analysis and hierarchical cluster analysis.Practical Applications: (E,E)‐2,4‐decadienal is highly electrophilically active with biomacromolecules. However, compared to the widely studied malonaldehyde (MDA), acrolein (ACR), 4‐hydroxynonenal (HNE), and 4‐oxo‐trans‐2‐nonenal (ONE)‐protein adducts, research on the modification of a protein by (E,E)‐2,4‐decadienal is insufficient, and the chemical nature of (E,E)‐2,4‐decadienal‐protein adducts is not clear. This study may be useful for extending our understanding of the specific role of (E,E)‐2,4‐decadienal in the formation of modified proteins during the occurrence of chronic diseases and provides a theoretical reference for food quality and safety problems caused by protein carbonylation during processing and storage.
Synthesis of Dibenzylic Diselenides from Elemental Selenium and Benzylic Quaternary Ammonium Salts
Authors: Chen Feng , Li Fuhai , Zeng Qingle 
Published: October 2021

AbstractAbstract: Substituted dibenzyl diselenides are synthesized in good yields (74–91 %) by SN2 nucleophilic substitution of benzylic trimethylammonium salts and diselenide dianion (Se2−), in situ generated from elemental selenium, under basic conditions. Highly enantiopure dibenzylic diselenides (95–98 % ee) with reverse configurations to their enantioenriched quaternary ammonium salts are obtained, if benzylic quaternary ammonium salts, synthesized from enantiomerically enriched amines, are used.
Mesoionic Carbene Cobalt Complexes as Multipurpose Catalyst Precursors for Hydrosilylation and Dihydropyrimidinone Synthesis
Authors: Bertini Simone , Albrecht Martin 
Published: October 2021

AbstractMetalation of CH2OH‐substituted triazolium salts with CoCl2 under basic conditions affords C,O‐bidentate chelating carbene Co(III) complexes (3a, 3b), while analogous phenyl‐substituted triazolium salts produce monodentate carbene Co(II) complexes (3c, 3d). The distinct substituent‐induced properties of the metal centers were demonstrated by electrochemical measurements and catalytic activities in two specific processes. The complexes showed appreciable activity in the reduction of C=O bonds through hydrosilylation, with methoxybenzene‐functionalized triazolylidene Co(III) complex 3a achieving a high selectivity towards aldehydes vs. ketones with turnover frequencies (TOFs) up to 200 h−1. The C,O‐chelate systems were also active catalysts in the Biginelli process, a one‐step three‐component reaction for efficient dihydropyrimidinone synthesis. Optimization of reaction conditions provides high activity with complex 3a, reaching TOFs of 800 h−1, the highest activity known for cobalt NHC complexes to date.
Improving primary health care through partnerships: Key insights from a cross‐case analysis of multi‐stakeholder partnerships in two Canadian provinces
Authors: Loban Ekaterina , Scott Catherine , Lewis Virginia , Law Susan , Haggerty Jeannie 
Published: October 2021

AbstractBackground and AimsMulti‐stakeholder partnerships offer strategic advantages in addressing multi‐faceted issues in complex, fast‐paced, and rapidly‐evolving community health contexts. Synergistic partnerships mobilize partners' complementary financial and nonfinancial resources, resulting in improved outcomes beyond that achievable through individual efforts. Our objectives were to explore the manifestations of synergy in partnerships involving stakeholders from different organizations with an interest in implementing organizational solutions that enhance access to primary health care (PHC) for vulnerable populations, and to describe structures and processes that facilitated the work of these partnerships.MethodsThis was a longitudinal case study in two Canadian provinces of two collaborative partnerships involving decision makers, academic representatives, clinicians, health system administrators, patient partners, and representatives of health and social service organizations providing services to vulnerable populations. Document review, nonparticipant observation of partnerships' meetings (n = 14) and semi‐structured in‐depth interviews (n = 16) were conducted between 2016 and 2018. Data analysis involved a cross‐case synthesis to compare the cases and framework analysis to identify prominent themes.ResultsFour major themes emerged from the data. Partnership synergy manifested itself in the following: (a) the integration of resources, (b) partnership atmosphere, (c) perceived stakeholder benefits, and (d) capacity for adaptation to context. Synergy developed before the intended PHC access outcomes could be assessed and acted both as a dynamic indicator of the health of the partnership and a source of energy fuelling partnership improvement and vitality. Synergistic action among multiple stakeholders was achieved through enabling processes at interpersonal, operational, and system levels.ConclusionsThe partnership synergy framework is useful in assessing the intermediate outcomes of ongoing partnerships when it is too early to evaluate the achievement of long‐term intended outcomes. Enabling processes require attention as part of routine partnership assessment.
Changes in received quality of care for knee osteoarthritis after a multicomponent intervention in a general practice in Denmark
Authors: Baumbach Linda , Roos Ewa M. , Ankerst Donna , Nyberg Lillemor A. , Cottrell Elizabeth , Lykkegaard Jesper 
Published: October 2021

AbstractObjectiveFirst‐line treatment for patients with knee osteoarthritis should ideally prescribe patient education, exercise, and if needed, weight loss. In practice, however, adjunctive treatments, including painkillers and referrals to specialists, are typically introduced before these measures. This study evaluated interventions to sustainably improve general practitioner delivered care for patients with knee osteoarthritis.DesignComparison of impacts of knee osteoarthritis care during four half‐year periods: before, 6, 12, and 18 months after primary intervention based on electronic medical records (EMR) and patient questionnaires.SettingDanish general practitioners (GPs) treating 6240 patients.ParticipantsFour GPs, two GP trainees, and six staff members.InterventionsSix pre‐planned primary interventions: patient leaflet, GP and staff educational session, knee osteoarthritis consultation, two functional tests monitoring patient function, EMR phrase aiding consultation, and waiting room advertisement and three supportive follow‐up interventions.Main outcome measuresUsage of first‐line and adjunctive treatment elements, the functional tests, and the EMR phrase.ResultsApproximately 50 knee osteoarthritis cases participated in each of the four half‐year periods. Primary interventions had only transient effects lasting <12 months on the knee osteoarthritis care. Functional tests and EMR phrases were used predominantly during the first 6 months, where a transient drop in the referral rate to orthopedics was observed. Use of educational elements was moderate and without significant change during follow‐up.ConclusionMore routine use of the primary or inclusion of novel increased‐adherence interventions is needed to sustainably improve care for knee osteoarthritis patients in Danish general practice.
Perceived Conflicts of Systems Engineering in Early‐Stage Research and Development1
Authors: DiMario Michael , Mastin Gary , Hahn Heidi , Hodges Ann , Lombardo Nick 
Published: October 2021

ABSTRACTEarly Systems Research and Development (ESR&D) is one of the most crucial phases in the product development process. It both blends and blurs the lines between science and engineering, and requires a risk‐based, disciplined, and graded approach to effectively manage scope, cost, and complexity of the final product. Many leaders, program managers, and scientists are unwilling to involve systems engineering because of the perception that systems engineering is heavily process oriented, adds unnecessary costs, and should be applied only to mature technologies. The value of systems engineering as applied to ESR&D is unclear to these key individuals. The unfortunate result is that system engineering is not applied to ESR&D. This results in R&D efforts that may have solved the wrong problem, selected the wrong architecture, require technical rework, have difficulty transitioning later maturity levels, and result in higher R&D costs and extended development timelines. This article discusses the difficulty of introducing systems engineering to the research and early development process and their inclination perspectives of researchers, engineers, and managers. The article shall offer potential means to manage the cultural transformation of early adoption of right‐sized systems engineering in ESR&D and reverse the attitudinal positions.
To Get Systems Engineers Interested in Social Dimensions, Give Them a Social Optimization Problem
Authors: McDermott Tom , Nadolski Molly 
Published: October 2021

ABSTRACTSystems engineering provides methods and tools to model and design the engineered system jointly with the external context of the system, specifically including social, economic and policy models. This article provides an example approach to formally model the system to optimize around social constructs (recognized social variables). In an educational program, this challenges engineering students to work through an optimization problem that considers social, economic, and technical requirements and conduct trades equally across all dimensions. We present a case study on student‐led implementation trades for urban electrical microgrids that optimize community sustainability and resilience. In this case study, the students used formal models of non‐traditional socioeconomic variables such as availability, energy burden on residents, and local jobs created. The case study presents a straightforward process that considers social requirements and metrics in systems engineering design that are typically overlooked. We present this as both an example learning framework and a broader call to define and standardize systems engineering methods, processes, and tools for increased integration of social dimensions as functional requirements in future systems.
Applying Behavioral Science to Agile Practice Evolution
Authors: Rosser Larri , Ganus Brian 
Published: October 2021

ABSTRACTEarly agile practices developed by trial and error and are retained “because they work.” The fact that certain approaches work well in agile realization of products and services is not accidental – it is rooted in the study of psychology, sociology, and human performance. For example, the “ideal agile team size” of 7 plus or minus 2 not only works but is supported by psycho‐social theories such as the Ringleman effect, social channel capacity and short‐term memory limitations. Examples of similar relations between behavioral science and agile patterns abound – preferred planning horizons, methods of estimating effort and approaches to scaling agile all relate to our understanding of human behavior individually and in groups. This article will explore such relationships with the intent to provide agile practitioners with information about the underpinning of practices, and social scientists with examples of how their work contributes to the improvement of agile practices.
The DNMT1‐associated lncRNA UCA1 was upregulated in TK6 cells transformed by long‐term exposure to hydroquinone and benzene‐exposed workers via DNA hypomethylation
Authors: Pan Zhijie , Zhong Bohuan , Ling Xiaoxuan , Zhang Haiqiao , Tan Qiang , Huang Dongsheng , Chen Jialong , Zhang He , Zheng Dongyan , Li Huifang , Chen Xiaobing , Liu Linhua 
Published: October 2021

AbstractExposure to benzene or its metabolite hydroquinone (HQ) is a risk factor for a series of myeloid malignancies, and long noncoding RNAs play an important role in the process of pathogenesis. Urothelial cancer‐associated 1 (UCA1) functions as an oncogene in the development of acute myeloid leukemia. However, the association between DNMT1 and UCA1 with benzene or HQ exposure has not been explored. We characterized UCA1 expression in cells briefly exposed to HQ (HQ‐ST cells) and HQ‐induced malignantly transformed (TK6‐HT cells) treated with 5‐aza‐2ʹ‐deoxycytidine (5‐AzaC) or trichostatin A (TSA). Compared to that in control cells, UCA1 expression was increased, whereas DNMT1 was decreased in HQ‐ST cells and TK6‐HT cells treated with 5‐AzaC or TSA. Moreover, UCA1 expression was also upregulated and positively correlated with benzene exposure time in benzene‐exposed workers. Furthermore, the expression of UCA1 was negatively associated with the DNA methylation level of its promoter in benzene‐exposed workers. DNMT1 rather than DNMT3b knockout in TK6‐HT cells activated the expression of UCA1 by inducing its promoter hypomethylation. These results suggest that benzene or HQ exposure leads to UCA1 upregulation via DNA hypomethylation in the UCA1 promoter, which is mediated by DNMT1.
Feshbach resonances in D + HD(v = 1, j = 0) reaction at low collision energies
Authors: Bai Yuwen , Buren Bayaer , Yang Zijiang , Zhou Boyi , Chen Maodu 
Published: October 2021

AbstractFeshbach resonances in D + HD(v = 1, j = 0) reaction are studied by using the time‐independent quantum method. The integral cross section (ICS) results present three Feshbach resonance peaks, which are different from H + HD(v = 1, j = 0) reaction dominated by only one peak. These resonances are attributed to coupling with adiabatic effective potentials of D + HD(v = 1, j = 1) reaction, and the most obvious peak is contributed by J = 1 at 83.16 cm−1 collision energy. For J = 0 and 2, the resonances are related with the same L partial wave and present a double‐peak structure in total ICS. The characteristics of product angular distribution show that the resonance of J = 1 is long‐lived, while the lifetimes are relatively shorter for the resonance of J = 0 and 2.
Palladium catalyzed Carbon–Hydrogen bond activation on amino‐substituted quinones under acidic condition
Authors: Huang Peng‐Hao , Hong Rui‐Yu , Hong Fung‐E 
Published: October 2021

AbstractIn this study, 2‐(benzylamino)naphthalene‐1,4‐dione (4a) was used as the starting material to carry out a one‐pot catalytic reaction in acetic acid with divalent palladium metal Pd(OAc)2 in a nitrogen atmosphere. Two compounds, 5a and 6a, were observed unexpectedly. Both compounds were characterized by spectroscopic methods as well as X‐ray single crystal determination. The crystal structure of 5a reveals that a nitrogen‐containing six‐membered ring is formed; while the crystal structure of 6a shows that both oxazole and pyridine ring are generated. The optimized condition for making 6a was pursued. Derivatives of 4a, such as 4b and 4c, were also used as starting materials to proceed under the aforementioned optimal reaction conditions. Although the yields are not satisfactory, obviously the same patterns of corresponding compounds can be synthesized. The reaction of a 4a‐structural related compound 9 under similar condition, two unexpected oxazole‐containing compounds, 10 and 11, were obtained. The diverse pathways for this type of reactions even starting with slightly different substituents on the quinone indeed provides chemists with a perpetual motivation for further studies.
The impact of the thermal annealing conditions on the structural properties of polylactic acid fibers
Authors: Ali Afaf M. 
Published: October 2021

AbstractPolylactic acid (PLA) is a prominent biomaterial for plentiful applications in medicine and industry. The main goal of using this new material is replacing polymers based on petrochemical. Different thermal and structural properties of PLA fibers were studied after the thermal treatment using two different conditions (taut and free ends). Different techniques were used to study the effect of the thermal treatment conditions on the crystallinity and molecular orientations for PLA fibers such as differential scanning calorimetry technique, X‐ray diffraction technique, and polarized light microscopy. The impact of the thermal annealing treatment on both the crystallinity and crystalline orientation was calculated. In case of taut ends thermal annealing treatment method, the measured parameters were higher than the case of free ends thermal annealing condition. The oriented segment relaxation due to the thermal annealing results an increase in the crystallinity values, but it does not indicate that the molecular orientation will be high. Results showed that the orientation of crystal and crystallinity was improved after thermal treatment. The taut conditions of annealing show significant improvement of crystallinity than free conditions.