bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multiobjective semisupervised learning with a right‐censored endpoint adapted to the multiple imputation framework
Authors: Faucheux Lilith , Soumelis Vassili , Chevret Sylvie 
Published: June 2021

AbstractSemisupervised learning aims to use additional knowledge in the search for data structure. In clinical applications, including predictive information in the construction of a data‐driven classification is of major importance. This work was motivated by a study that aimed to identify different patterns of immune parameters that would be associated with relapse‐free survival in a cohort of breast cancer patients. Supervised and unsupervised objectives can be concomitantly optimized using multiobjective optimization. We propose such a procedure that addresses two challenges in the semisupervised approach, that is, missing data and additional knowledge based on survival time. The former was handled by using multiple imputation and consensus clustering. Survival information was incorporated in the supervised objective through the estimation of a cross‐validation error of a Cox regression. A simulation study was performed to assess the performance of the proposed procedure. On complete datasets, the performances were compared to those of an existing modified multiobjective semisupervised learning method. The added value of including the survival data in the learning process was assessed by comparing the procedure to unsupervised learning. The proposed procedure showed better performance than the existing method, notably in the selection of the number of clusters. On incomplete datasets, the procedure showed little sensitivity to most of its parameters, even though a high number of imputations and partition initialization seeds improved the performance. The performance was degraded with a high proportion of missing data (40%) and with more ambiguous data structures. Simulation results and application on real data support the conclusion that our procedure enables the construction of a classification associated with a right‐censored endpoint on a possibly incomplete dataset.
TEMPO‐Mediated Electrochemical N‐demethylation of Opiate Alkaloids
Authors: Najmi Ali Alipour , Bhat M. Faizan , Bischoff Rainer , Poelarends Gerrit J. , Permentier Hjalmar P. 
Published: June 2021

AbstractA new TEMPO‐mediated electrochemical method has been developed for N‐demethylation of opiates using a home‐made batch cell with low‐cost porous glassy carbon electrodes. N‐demethylation of opiates such as thebaine, codeine, morphine and oxycodone is a key step in the semi‐synthesis of opioid medicines. The electrochemical N‐demethylation using TEMPO as mediator enables the synthesis of noropiates, which is not possible with conventional Shono oxidation. Electrolysis was performed at a preparative scale in aqueous solvent at room temperature in a single step, yielding the desired products in good isolated yields (up to 83 %). Mechanistic studies suggest that the electrochemically generated oxoammonium species oxidizes the opiate to an iminium intermediate, which then hydrolyzes to the noropiate. The electrochemical reaction was also performed in a flow‐cell without a supporting electrolyte and represents the first electrochemical N‐demethylation of difficult opiates with an aminoxyl oxidant.
Strategy of Graphdiyne (g−CnH2n‐2 ) Preparation Coupling with the Flower‐Like NiAl‐LDH Heterojunctions for Efficient Photocatalytic Hydrogen Evolution**
Authors: Jin Zhi‐liang , Wang Yuan‐peng 
Published: June 2021

AbstractGraphdiyne (g−CnH2n‐2), a novel two‐dimension carbon allotrope material composed of a sp‐ and sp2‐hybrid carbon network, has been widely explored since it was synthesized for the first time by Li's group in 2010. A series distinct and excellent properties bestow graphdiyne excellent performance in many fields. Here, an innovative progress for preparing graphdiyne by using Cu+ contained material as catalyst is reported and the composite CuI‐GD is coupled with flower‐like NiAl‐LDH to produce H2 from photocatalytic water splitting. The results of FTIR and Raman spectroscopy together reveal that graphdiyne nanosheets are synthesized successfully by employing a cross‐coupling method. Photocatalytic hydrogen evolution performance shows that the hydrogen production activity of CuI‐GD/NiAl‐LDH has a 15‐ and 216‐fold enhancement compared with CuI‐GD and NiAl‐LDH, respectively. A series of characterizations are carried out to expound the underlying reasons in the enhancement of the photocatalytic hydrogen production performance of CuI‐GD/NiAl‐LDH. Meanwhile, a possible mechanism for the photocatalytic hydrogen evolution process was proposed to understand the interaction among these materials.
PorphyStruct – A Digital Tool for the Quantitative Assignment of Non‐Planar Distortion Modes in Four‐Membered Porphyrinoids
Authors: Krumsieck Jens , Bröring Martin 
Published: June 2021

AbstractInvited for the cover of this issue are Jens Krumsieck and Martin Bröring from the TU Braunschweig, Germany. The cover image allows a glance into a futuristic lab with an innovative imaging device analyzing structural details of a metal corrole. Read the full text of the article at 10.1002/chem.202101243.
Calcination‐Free Synthesis of Well‐Dispersed and Sub‐10 nm Spinel Ferrite Nanoparticles as High‐Performance Anode Materials for Lithium‐Ion Batteries: A Case Study of CoFe2O4
Authors: Zhang Yifan , Zhang Yamin , Cao Yi , Xie Minghao , Li Jiabao , Balzer Alex , Liu Nian , John Zhang Z. 
Published: June 2021

AbstractSpinel ferrites are promising anode materials for lithium‐ion batteries (LIBs) owing to their high theoretical specific capacities. However, their practical application is impeded by inherent low conductivity and severe volume expansion, which can be surpassed by increasing the surface‐to‐volume ratio of nanoparticles. Currently, most methods produce spinel ferrite nanoparticles with large size and severe aggregation, degrading their electrochemical performance. In this study, a low‐temperature aminolytic route was designed to synthesize sub‐10 nm CoFe2O4 nanoparticles with good dispersion through carefully exploiting the reaction of acetates and oleylamine. The performance of CoFe2O4 nanoparticles obtained by a traditional co‐precipitation method was also investigated for comparison. This work demonstrates that CoFe2O4 nanoparticles synthesized by the aminolytic route are promising as anode materials for LIBs. Besides, this method can be extended to design other spinel ferrites for energy storage devices with superior performance by simply changing the starting material, such as MnFe2O4, MgFe2O4, ZnFe2O4, and so on.
Anatomy and function of retinorecipient arborization fields in zebrafish
Authors: Baier Herwig , Wullimann Mario F. 
Published: June 2021

AbstractIn 1994, Burrill and Easter described the retinal projections in embryonic and larval zebrafish, introducing the term “arborization fields” (AFs) for the retinorecipient areas. AFs were numbered from 1 to 10 according to their positions along the optic tract. With the exception of AF10 (neuropil of the optic tectum), annotations of AFs remained tentative. Here we offer an update on the likely identities and functions of zebrafish AFs after successfully matching classical neuroanatomy to the digital Max Planck Zebrafish Brain Atlas. In our system, individual AFs are neuropil areas associated with the following nuclei: AF1 with the suprachiasmatic nucleus; AF2 with the posterior parvocellular preoptic nucleus; AF3 and AF4 with the ventrolateral thalamic nucleus; AF4 with the anterior and intermediate thalamic nuclei; AF5 with the dorsal accessory optic nucleus; AF7 with the parvocellular superficial pretectal nucleus; AF8 with the central pretectal nucleus; and AF9d and AF9v with the dorsal and ventral periventricular pretectal nuclei. AF6 is probably part of the accessory optic system. Imaging, ablation, and activation experiments showed contributions of AF5 and potentially AF6 to optokinetic and optomotor reflexes, AF4 to phototaxis, and AF7 to prey detection. AF6, AF8 and AF9v respond to dimming, and AF4 and AF9d to brightening. While few annotations remain tentative, it is apparent that the larval zebrafish visual system is anatomically and functionally continuous with its adult successor and fits the general cyprinid pattern. This study illustrates the synergy created by merging classical neuroanatomy with a cellular‐resolution digital brain atlas resource and functional imaging in larval zebrafish.
Real‐Time Fluorescence Visualization of Nanoparticle Aggregation and the Polymorph‐Transition Process of a Mechanofluorochromic Difluoroboron‐β‐Diketone Derivative
Authors: Ito Fuyuki , Naganawa Ryuji , Fujimoto Yushi , Takimoto Maori , Mochiduki Yoshifumi , Katsumi Shiho 
Published: June 2021

AbstractThe use of organic nanomaterials in biomedical and optical devices has been widely studied. The key to improving the performance and stability of these devices is to control the fabrication process, which determines the phase stability and photophysical properties. In this study, fluorescence changes were observed during the reprecipitation process of mechanofluorochromic molecules of dibenzoyl(methanato)boron difluoride. The cyan‐emission phase (C‐phase) was first identified. The time evolution of the resolved fluorescence spectra revealed that the green‐emission phase (G‐phase) was formed from the amorphous phase with yellow emission via the C‐phase, in addition to the direct formation of the G‐phase. Combined with the results of the investigation into the thermal properties, the fluorescence changes clearly indicate a two‐step nucleation process and Ostwald's rule of stages for polymorph transition, which enables us to not only provide guidance for controlling the fabrication process but also propose the ripening process for organic nanoparticle formation.
Psychotherapy outcome research: Implications of a new clinical taxonomy
Authors: Bakker Gary M. 
Published: June 2021

AbstractSince the publication of DSM‐III in 1980, the scientist‐practitioner gap in clinical psychology has expanded, as almost all outcome research in clinical psychology has been on diagnosed mental disorders within a medical model using drug trial methodologies, whereas most practising clinicians undertake functional analyses and case formulations of clinical psychological problems (CPPs) and then apply tailored interventions within an ongoing hypothesis‐testing methodology. But comparatively reliable assessment and generalizable conclusions in psychotherapy outcome research require a comprehensive theory‐derived conception or operational definition of ‘CPPs’, standardized functional analyses, and a taxonomy of CPPs comparable to DSM's listings of mental disorders. An alternative conception and taxonomy of CPPs have recently been proposed, offering improvements in the reliability and generalizability of case formulation‐based psychotherapy outcome research. It conceives of CPPs as instances of the formation and operation of self‐sustaining problem‐maintaining circles (PMCs) of psychological‐level causal elements—that is, at the level of cognitions, behaviours, emotions, and events or situations (stimuli). The paper describes this new conception of CPPs, a subsequent nascent taxonomy of evidence‐based PMCs which standardizes the underlying mechanisms that maintain CPPs, and ensuing benefits to research (as well as to practice) in clinical psychology. These benefits include being able to encompass all treatment‐worthy CPPs, not just diagnosable mental disorders; to assess theory‐derived intervention strategies, not just arbitrary therapy bundles; and to directly feed back into psychological theories, not just expand an atheoretical list of patented “evidence supported therapies.”
Addressing bias in faculty retention
Authors: Malone Sparkle L. , Record Sydne 
Published: June 2021

AbstractThe field of ecology in the United States is not fully harnessing the diverse perspectives of the American population. Two major limitations to advancing diversity and inclusion include insufficient awareness of biased attitudes and the lack of large‐scale faculty engagement in diversity and inclusion programs. Academic institutions must recognize and value individuals that participate in diversity and inclusion programs. Valuing this work will motivate all ecologists to accept the responsibility for these efforts and not simply assume that the few minorities in their field can do this work.
Developing the ecological scientist mindset among underrepresented students in ecology fields
Authors: Bowser Gillian , Cid Carmen R. 
Published: June 2021

AbstractHow do students discover ecology? Answering this question is essential for diversifying the environmental workforce because scientific disciplines, such as ecology, are often not discovered until students enter academia and are exposed to different disciplinary options. Ecology, and many of the environmental sciences, have persistent and alarmingly low numbers of underrepresented minorities (URM; African American, Hispanic American, Native American, and Pacific Islanders), while other science and technology fields have shown progress in diversification. Why does such underrepresentation persist in environmental disciplines? Social factors such as sense of belonging, science identity, implicit biases, and stereotypes all have been explored and are known to influence the participation of URM students in science. The unique role of the field experience in environmental sciences as a “rite of passage” and “authentic” research experience is one important influence on how URM students experience ecology. Interventions using social elements such as belonging and sense of place are demonstrated ways to broaden participation particularly in environmental science fields, yet dramatic underrepresentation still persists. Here we review known factors affecting and enhancing the recruitment and retention of URMs in the sciences and focus on comprehensive strategies shown to be effective recruiting URM students into the environmental workforce.
Molecular gut content analysis indicates the inter‐ and intra‐guild predation patterns of spiders in conventionally managed vegetable fields
Authors: Saqib Hafiz Sohaib Ahmed , Liang Pingping , You Minsheng , Gurr Geoff M. 
Published: June 2021

AbstractInter‐ and intra‐guild interactions are important in the coexistence of predators and their prey, especially in highly disturbed vegetable cropping systems with sporadic food resources. Assessing the dietary range of a predator taxon characterized by diverse foraging behavior using conventional approaches, such as visual observation and conventional molecular approaches for prey detection, has serious logistical problems. In this study, we assessed the prey compositions and compare the dietary spectrum of a functionally diverge group of predators—spiders—to characterize their trophic interactions and assess biological control potential in Brassica vegetable fields. We used high‐throughput sequencing (HTS) and biotic interaction networks to precisely annotate the predation spectrum and highlight the predator–predator and predator–prey interactions. The prey taxa in the gut of all spider families were mainly enriched with insects (including dipterans, coleopterans, orthopterans, hemipterans, and lepidopterans) with lower proportions of arachnids (such as Araneae) along with a wide range of other prey factions. Despite the generalist foraging behavior of spiders, the community structure analysis and interaction networks highlighted the overrepresentation of particular prey taxa in the gut of each spider family, as well as showing the extent of interfamily predation by spiders. Identifying the diverse trophic niche proportions underpins the importance of spiders as predators of pests in highly disturbed agroecosystems. More specifically, combining HTS with advanced ecological community analysis reveals the preferences and biological control potential of particular spider taxa (such as Salticidae against lepidopterans and Pisauridae against dipterans), and so provides a valuable evidence base for targeted conservation biological control efforts in complex trophic networks.
Species distribution models for predicting the habitat suitability of Chinese fire‐bellied newt Cynops orientalis under climate change
Authors: Guo Kun , Yuan Sijia , Wang Hao , Zhong Jun , Wu Yanqing , Chen Wan , Hu Chaochao , Chang Qing 
Published: June 2021

AbstractClimate change influences species geographical distribution and diversity pattern. The Chinese fire‐bellied newt (Cynops orientalis) is an endemic species distributed in East‐central China, which has been classified as near‐threatened species recently due to habitat destruction and degradation and illegal trade in the domestic and international pet markets. So far, little is known about the spatial distribution of the species. Based on bioclimatic data of the current and future climate projections, we modeled the change in suitable habitat for C. orientalis by ten algorithms, evaluated the importance of environmental factors in shaping their distribution, and identified distribution shifts under climate change scenarios. In this study, 46 records of C. orientalis from East China and 8 bioclimatic variables were used. Among the ten modeling algorithms, four (GAM, GBM, Maxent, and RF) were selected according to their predictive abilities. The current habitat suitability showed that C. orientalis had a relatively wide but fragmented distribution, and it encompassed 41,862 km2. The models suggested that precipitation of warmest quarter (bio18) and mean temperature of wettest quarter (bio6) had the highest contribution to the model. This study revealed that C. orientalis is sensitive to climate change, which will lead to a large range shift. The projected spatial and temporal pattern of range shifts for C. orientalis should provide a useful reference for implementing long‐term conservation and management strategies for amphibians in East China.
Dithiolate and Catecholate Binding of Copper by the OO∼SS Bifunctional Ligand: Regioselectivity and Regioisomeric Transformations
Authors: Kuropatov Viacheslav A. , Cherkasova Anna V. , Martyanov Konstantin A. , Cherkasov Anton V. , Starikov Andrey G. , Cherkasov Vladimir K. 
Published: June 2021

Abstracto‐Quinone bearing annulated dithiete ring (DitQ) provides a unique opportunity for comparison of properties of benzodithiolene and benzodioxolene coordination sites. The majority of Pd, Pt or alkali metal containing metallofragments are regioselectively bound either by dithiolene or dioxolene site of the DitQ, whereas Cu(II) adducts with phenanthroline or bipyridine display equilibrium between catecholate and dithiolate forms. To the best of our knowledge this is a rare example of equilibrium between regioisomeric coordination compounds. We determined the energetic parameters of this equilibrium from temperature‐dependent electron paramagnetic resonance measurements. Unambiguous dithiolate binding mode for DitQ was found in case of trinuclear Cu(I)−Cu(II)−Cu(I) species where a formal oxidation state of copper is +1
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Remote sensing of large wood in high‐resolution satellite imagery: Design of an automated classification work‐flow for multiple wood deposit types
Authors: Sendrowski Alicia , Wohl Ellen 
Published: June 2021

AbstractWood researchers increasingly rely on remote‐sensing products to augment field information about wood deposits in river corridors. The availability of very high‐resolution (<1 m) satellite imagery makes capturing wood over greater spatial extents possible, but previous studies have found difficulty in automatically extracting wood deposits due to the challenge in distinguishing wood from spectrally similar corridor features such as sand. We also lack knowledge on the spectral properties of different wood deposit types in multiple depositional environments. In this work, we explore image classification work‐flows for four wood deposit types in three North American environments: in‐channel jams deposited in the Tatshenshini River in Alaska, USA; a wood raft on the Slave River in Northwest Territories, Canada; and wood deposited along a lakeshore and coastal embayment in the Mackenzie River Delta in Northwest Territories, Canada. We compare classification results of object‐based and pixel‐based image analysis with supervised [support vector machine (SVM)] and unsupervised (ISO clustering) classifiers. We evaluate several accuracy assessment parameters and achieve overall classification accuracies of 65–99%, showing automated image classification is a possible approach for analysing wood across larger areas. We also find that wood sensitivity in the classification ranged from 0 to 95%, indicating that some techniques are better suited to wood capture than others. We find that supervised classification produced more accurate wood maps, though there is large variation in classification outcomes across environments related to spatial arrangement of wood in the landscape. We discuss the influence of depositional environment on classification and provide recommendations for designing a wood classification work‐flow.
Spring water table depth mediates within‐site variation of soil temperature in groundwater‐fed mires
Authors: Horsák Michal , Horsáková Veronika , Polášek Marek , Coufal Radovan , Hájková Petra , Hájek Michal 
Published: June 2021

AbstractGroundwater‐dependent ecosystems represent globally rare edaphic islands of scattered distribution, often forming areas of regionally unique environmental conditions. A stable groundwater supply is a key parameter defining their ecological specificity, promoting also soil thermal buffering. Still, a limited number of studies dealt with the importance of water temperature in mire ecosystems and virtually no data exist on within‐site variation in the temperature buffer effect. Three temperature dataloggers, placed in patches potentially differing in groundwater supply, were installed in each of 19 Western Carpathian spring mire sites from May 2019 to July 2020. Spring source plots statistically differed in water temperature parameters from the plots located towards the spring mire margin, which did not significantly differ from one another. At the majority of sites, the temperature values changed gradually from spring source to mire margins, fitting the pattern expected in the groundwater temperature buffering scenario. Dataloggers placed in the spring sources were the most distinctive from the others in thermal buffering parameters in conditional principal component analysis. The difference between the spring source and its margin was on average 3.25 °C for 95th percentile of the recorded water temperature data points (i.e. warm extremes) and 1.91 °C for 5th percentile (i.e. cold extremes). This suggests that if the temperature at spring source area is considered, thermal buffering within a site may mitigate mainly warm extremes. Thus, our data may provide an important baseline for predictions of possibly upcoming changes in spring mire hydrology caused by climate change. Both warming and precipitation decrease can give rise to the loss or substantial reduction of buffering effect if the contrasting parameters now recorded at the central part shift to those found towards the margins of groundwater‐fed areas.