bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and testing of selective inactivators against an antifungal enzyme target
Authors: Friday Samantha N. , Cheng Daniel W. , Zagler Sebastian G. , Zanella Brady S. , Dietz Jordan D. , Calbat Christopher N. , Roach Logan T. , Bagnal Cindy , Faile Ian S. , Halkides Christopher J. , Viola Ronald E. 
Published: September 2021

AbstractSystemic infections from fungal organisms are becoming increasingly difficult to treat as drug resistance continues to emerge. To substantially expand the antifungal drug landscape new compounds must be identified and developed with novel modes of action against previously untested drug targets. Most drugs block the activity of their targets through reversible, noncovalent interactions. However, a significant number of drugs form irreversible, covalent bonds with their selected targets. While more challenging to develop, these irreversible inactivators offer some significant advantages as novel antifungal agents. Vinyl sulfones contain a potentially reactive functional group that could function as a selective enzyme inactivator, and members of this class of compounds are now being developed as inactivators against an antifungal drug target. The enzyme aspartate semialdehyde dehydrogenase (ASADH) catalyzes a key step in an essential microbial pathway and is essential for the survival of every microorganism examined. A series of vinyl sulfones have been designed, guided by molecular modeling and docking studies to enhance their affinity for fungal ASADHs. These newly synthesized compounds have been examined against this target enzyme from the pathogenic fungal organism Candida albicans. Vinyl sulfones containing complementary structural elements inhibit this enzyme with inhibition constants in the low‐micromolar range. These inhibitors have also led to the rapid and irreversible inactivation of this enzyme, and show some initial selectivity when compared to the inactivation of a bacterial ASADH. The best inactivators will serve as lead compounds for the development of potent and selective antifungal agents.
Ferrocene‐Based Phosphenium Ion with Intramolecular Phosphine Coordination
Authors: Zhang Tianqing , Lee Vladimir Ya. , Morisako Shogo , Aoyagi Shinobu , Sasamori Takahiro 
Published: September 2021

AbstractA bis(ferrocenyl)phosphenium ion with intramolecular phosphine‐coordination, incorporated within [2]ferrocenophane framework, was synthesized as an air‐stable compound. Although it can be thought as a phosphino‐phosphonium derivative, considering the potential rotation of the cyclopentadienyl group of the ferrocene moiety, the isolated compound should be a masked phosphenium ion with intramolecular phosphine coordination. The redox behavior of the isolated phosphine‐coordinated phosphenium ion has been revealed by CV measurements and the theoretical calculations, suggesting its oxidation at the ferrocenyl moieties and reduction at the phosphorus center consecutively giving the corresponding phosphinyl radical and phosphide ion.
Predicting gully erosion using landform evolution models: Insights from mining landforms
Authors: Hancock Greg R. , Willgoose Garry R. 
Published: September 2021

AbstractIncision as a result of fluvial erosion is an important process to model when simulating landform evolution. For gullies, it is apparent that coupled with the processes that cause incision there must be a range of processes that stop incision. Once started, rills and gullies will grow infinitely without a reduction in support area and/or being arrested by deposition and armouring. Some of these processes have been well studied under the heading of inter‐rill erosion. Other limiting processes are related to the shape of the landform and how downstream deposition areas are linked geomorphically to the upstream gullies. Armouring is also an important process that reduces gully incision and extension, where the gully erodes to bedrock and the resistant base limits further development. Post‐mining landscapes are new surfaces with new materials and provide the opportunity to examine gully initiation, extension and stabilization. The work presented here has largely been driven by the mining industry, where there has been a need to assess erosion over hazardous wastes like mine tailings and low‐level nuclear waste. We demonstrate the usefulness of computer‐based landscape evolution models and the more recent soilscape models (that include both surface and subsurface processes) to understand both fluvial and diffusive processes as well as armouring in a digital elevation model framework (as well as landscape evolution). Landscape evolution models provide insights into complex non‐linear systems such as gullies. A key need is that of field data to parameterize and validate the models. It is argued that current models have more capability than field data available for parameterization and importantly the validation of model outputs.
System change evaluation: Insights from The Rippel Foundation and its ReThink Health initiative
Authors: Gates Emily F. , Fils‐Aime Francisca 
Published: September 2021

AbstractThis chapter explores evaluation about and for system change within a case study of The Rippel Foundation's ReThink Health initiative. Their work involves field building to understand and shift what constrains current systems influencing health and well‐being and place‐based efforts to change systems carried out with regionally focused stewards. Guiding questions addressed how ReThink Health envisions, supports, and evaluates system change. Data included document review and group and individual interviews with staff members followed by iterative cycles of descriptive pattern coding and analysis. Seven, interrelated findings depict system change as (1) reframing problems and (2) cultivating stewardship supported by (3) adapted and new tools. Additionally, evaluation (4) fuels learning, (5) uses a developmental theory of system change, (6) assesses changes to system conditions, and (7) seeks to continuously develop value. Authors identify considerations for others engaged in system change evaluation.
Block coordinate descent algorithm improves variable selection and estimation in error‐in‐variables regression
Authors: Escribe Célia , Lu Tianyuan , Keller‐Baruch Julyan , Forgetta Vincenzo , Xiao Bowei , Richards J. Brent , Bhatnagar Sahir , Oualkacha Karim , Greenwood Celia M. T. 
Published: September 2021

AbstractMedical research increasingly includes high‐dimensional regression modeling with a need for error‐in‐variables methods. The Convex Conditioned Lasso (CoCoLasso) utilizes a reformulated Lasso objective function and an error‐corrected cross‐validation to enable error‐in‐variables regression, but requires heavy computations. Here, we develop a Block coordinate Descent Convex Conditioned Lasso (BDCoCoLasso) algorithm for modeling high‐dimensional data that are only partially corrupted by measurement error. This algorithm separately optimizes the estimation of the uncorrupted and corrupted features in an iterative manner to reduce computational cost, with a specially calibrated formulation of cross‐validation error. Through simulations, we show that the BDCoCoLasso algorithm successfully copes with much larger feature sets than CoCoLasso, and as expected, outperforms the naïve Lasso with enhanced estimation accuracy and consistency, as the intensity and complexity of measurement errors increase. Also, a new smoothly clipped absolute deviation penalization option is added that may be appropriate for some data sets. We apply the BDCoCoLasso algorithm to data selected from the UK Biobank. We develop and showcase the utility of covariate‐adjusted genetic risk scores for body mass index, bone mineral density, and lifespan. We demonstrate that by leveraging more information than the naïve Lasso in partially corrupted data, the BDCoCoLasso may achieve higher prediction accuracy. These innovations, together with an R package, BDCoCoLasso, make error‐in‐variables adjustments more accessible for high‐dimensional data sets. We posit the BDCoCoLasso algorithm has the potential to be widely applied in various fields, including genomics‐facilitated personalized medicine research.
Does fairness narrow the gap? Effect of procedural justice on MNE attention disparity
Authors: Weng David H. , Cheng Hsiang‐Lin 
Published: September 2021

AbstractResearch SummaryEarlier studies have suggested that multinational enterprise (MNE) subsidiaries may receive unequal attention from headquarters, but have not yet thoroughly examined either this issue or potential mechanisms that may ameliorate the situation. Our study contends that procedural justice helps bridge an MNE's attention gap as perceived by subsidiaries. We further posit that this proposed effect would be moderated by several contextual factors including subsidiary capability, subsidiary initiative, MNE internationalization, and MNE scope. An assembled sample of MNEs headquartered in Taiwan supports our predictions. These findings have important implications for both the attention‐based view of the firm and headquarters–subsidiary relationships.Managerial SummaryMNEs often allocate unequal attention among their overseas subsidiaries. Yet the means of addressing this potential attention disparity remains underexplored. We contend that developing a set of fair, transparent, and unbiased procedures within an MNE can help address this issue. Results based on a sample of MNEs based in Taiwan support this argument. These analyses also suggest that the effect of procedural justice would be weakened when subsidiaries are more capable and demonstrate greater initiative. In contrast, the impact of procedural justice will be strengthened for highly internationalized MNEs. Our findings offer crucial practical implications for MNEs to allocate attention among and manage their subsidiaries.
The treatment of disabled individuals in small, medium‐sized, and large firms
Authors: Bacon Nick , Hoque Kim 
Published: September 2021

AbstractIntegrating literature on small firm informality and organizational growth and development into Stone and Colella's model of the workplace treatment of disabled individuals, we assess prior claims that disability employment outcomes are better in large firms than in small and medium‐sized firms. Drawing on the principle of equifinality, we propose disability employment outcomes (workforce disability prevalence and disability gaps in contentment and job satisfaction) will not vary by firm size, given both the formalized approach of large firms (disability equality practices, HR specialists, and union recognition), and the more informal approach of small firms (greater job autonomy, a stronger fairness culture, better work‐life balance, and single‐site operations with closer personal relationships) may have benefits for disabled people. Analyzing nationally representative matched employer–employee data, we show that, as anticipated, formalized approaches are more prevalent in large firms (and to an extent medium‐sized firms) and informal approaches are more prevalent in small firms, and disability employment outcomes do not vary by firm size. However, this appears to reflect the ineffectiveness (rather than effectiveness) of characteristics and practices associated with both large firm formality and small firm informality, with both being weakly associated with better disability employment outcomes.
Creativity Paradigms and Game Design Research: A Transdisciplinary Approach
Authors: Chiapello Laureline 
Published: September 2021

AbstractUsing a transdisciplinary approach, this paper shows how creativity studies and game design research can complement each other and open new research avenues. In order to study the role of creativity in game designers’ practice, we first touch on the epistemological foundations of creativity studies and game design research. After presenting these disciplines’ epistemological underpinnings, we conduct a qualitative content analysis of game design literature, using Vlad Petre Glăveanu’s “creativity paradigms” as our analytical framework. According to these paradigms, the results show that creative game designers are still largely depicted in the literature as either geniuses or skillful individuals, while cultural and social aspects of creativity are overlooked despite their importance in current game design practice. All in all, an epistemological reflection is necessary to bridge the gap between creativity studies and game design studies. We conclude that a pragmatist approach is a promising avenue to bring forward a comprehensive view of creativity in game design practice. Finally, in order to establish theories suited for a wide array of disciplines, this paper also advocates for more transdisciplinarity in creativity research.
Sudden Onset, Fixed Dystonia and Acute Peripheral Trauma as Diagnostic Clues for Functional Dystonia
Authors: Ercoli Tommaso , Defazio Giovanni , Geroin Christian , Marcuzzo Enrico , Fabbrini Giovanni , Bono Francesco , Mechelli Alessandro , Ceravolo Roberto , Romito Luigi Michele , Albanese Alberto , Pisani Antonio , Zibetti Maurizio , Altavista Maria Concetta , Maderna Luca , Petracca Martina , Girlanda Paolo , Mascia Marcello Mario , Berardelli Alfredo , Tinazzi Michele ,   for the Italian Registry of Functional Motor Disorders Study Group,   the Italian Registry of Adult Dystonia Study Group
Published: September 2021

ABSTRACTBackgroundThe differentiation of functional dystonia from idiopathic dystonia may be clinically challenging.ObjectiveTo identify clinical features suggestive of functional dystonia to guide physicians to distinguish functional dystonia from idiopathic dystonia.MethodsPatient data were extracted from the Italian Registry of Functional Motor Disorders and the Italian Registry of Adult Dystonia. Patients with functional and idiopathic dystonia were followed up at the same clinical sites, and they were similar in age and sex.ResultsWe identified 113 patients with functional dystonia and 125 with idiopathic dystonia. Sudden onset of dystonia, evidence of fixed dystonia, and acute peripheral trauma before dystonia onset were more frequent in the functional dystonia group. No study variable alone achieved satisfactory sensitivity and specificity, whereas a combination of variables yielded 85% sensitivity and 98% specificity. A diagnostic algorithm was developed to reduce the risk of misclassifying functional dystonia.ConclusionOur findings extend the current diagnostic approach to functional dystonia by showing that clinical information about symptom onset, fixed dystonia, and history of peripheral trauma may provide key clues in the diagnosis of functional dystonia.
Three de novo variants in KMT2A (MLL) identified by whole exome sequencing in patients with Wiedemann–Steiner syndrome
Authors: Luo Sukun , Bi Bo , Zhang Wenqian , Zhou Rui , Chen Wei , Zhao Peiwei , Huang Yufeng , Yuan Li , He Xuelian 
Published: September 2021

AbstractBackgroundWiedemann–Steiner syndrome (WSS) is an autosomal dominant disorder characterized by short stature, hypertrichosis, intellectual disability, developmental delay, along with facial dysmorphism. WSS patients exhibit great phenotypic heterogeneities. Some variants in KMT2A (MLL) gene have been identified as the cause of WSS.MethodsWhole exome sequencing on the probands followed by Sanger sequencing validations in the family were applied to determine genetic variants. In silico analyses were used for predicting potential effects of the variants.ResultsWe identified three novel de novo heterozygous variants: c.883A>T (p.Lys295*), c.4171C>T (p.Gln1391*), and c.3499T>C (p.Cys1167Arg), in KMT2A gene from three unrelated Chinese WSS patients. According to the American College of Medical Genetics and Genomics (ACMG) guidelines, these three variants were classified as pathogenic, pathogenic and likely pathogenic variant, respectively. By reviewing all the available cases with same mutated KMT2A regions as the three patients had, we found that in addition to the representative symptoms, our patients exhibited some sporadically observed symptoms, such as severe ophthalmological symptoms, endocardial fibroelastosis, cytomegalovirus infection, and feet eversion. We also revealed that variants in different KMT2A regions contribute to the phenotypic heterogeneity of WSS, highlighting challenges in the diagnosis of syndromic disorders spanning a broad phenotypic spectrum.ConclusionOur study would aid in further broadening our knowledge about the genotype–phenotype correlation of WSS.
Wideband self‐packaged antenna based on substrate‐integrated suspended line platform for 5G millimeter‐wave application
Authors: Wang Xiyao , Luo Yu , Ma Kaixue , Yang Wanchen , Xue Quan , Che Wenquan 
Published: September 2021

AbstractA wideband antenna based on substrate‐integrated suspended line (SISL) platform is presented for the fifth generation (5G) communication applications. The antenna is composed of two dipoles and differentially driven by coupled slot between dipole arms to achieve symmetrical radiation pattern on both E and H plane. Combining with the multilayer feature of the SISL, a metallic cavity under the dipole is formed to improve the antenna bandwidth and radiation performance. To verify the proposed antenna, one prototype was fabricated using the conventional printed circuit board process and a balun structure was designed to provide the differential excitation. The measured results indicate that the proposed dipole antenna with differential feeding network achieves a large −10 dB impedance bandwidth of 58% from 24.5 to 44.5 GHz and a peak gain of 8.2 dBi. The proposed antenna is a promising candidate for 5G communications due to its advantages of wideband, high gain, low cost, and convenient integration with differential active circuits.
An iterative reconstruction method based on monochromatic images for dual energy CT
Authors: Zhang Weibin , Zhao Shusen , Pan Huiying , Zhao Yunsong , Zhao Xing 
Published: September 2021

AbstractPurposeDual‐energy computed tomography (DECT) scans objects using two different X‐ray spectra to acquire more information, which is also called dual spectral CT (DSCT) in some articles. Compared to traditional CT, DECT exhibits superior material distinguishability. Therefore, DECT can be widely used in the medical and industrial domains. However, owing to the nonlinearity and ill condition of DECT, studies are underway on DECT reconstruction to obtain high quality images and achieve fast convergence speed. Therefore, in this study, we propose an iterative reconstruction method based on monochromatic images (IRM‐MI) to rapidly obtain high‐quality images in DECT reconstruction.MethodsAn IRM‐MI is proposed for DECT. The proposed method converts DECT reconstruction problem from the basis material images decomposition to monochromatic images decomposition to significantly improve the convergence speed of DECT reconstruction by changing the coefficient matrix of the original equations to increase the angle of the high‐ and low‐energy projection curves or reduce the condition number of the coefficient matrix. The monochromatic images were then decomposed into basis material images. Furthermore, we conducted numerical experiments to evaluate the performance of the proposed method.ResultsThe decomposition results of the simulated data and real data experiments confirmed the effectiveness of the proposed method. Compared to the extended algebraic reconstruction technique (E‐ART) method, the proposed method exhibited a significant increase in the convergence speed by increasing the angle of polychromatic projection curves or decreasing the condition number of the coefficient matrix, when choosing the appropriate monochromatic images. Therefore, the proposed method is also advantageous in acquiring high quality and rapidly converged images.ConclusionsWe developed an iterative reconstruction method based on monochromatic images for the material decomposition for DECT. The numerical experiments using the proposed method validated its capability of decomposing the basis material images. Furthermore, the proposed method achieved faster convergence speed compared to the E‐ART method.
Chemiedidaktik: Funken selbstgemacht
Authors: Scheid Michael , Rusan Magdalena , Klapötke Thomas M. , Schwarzer Stefan 
Published: September 2021

AbstractDie Mischung, die Wunderkerzen funkeln lässt, ist nichts für Kinder – die Bestandteile sind gesundheitsschädlich und können explosiv sein. Das muss nicht sein: Chemiker und Chemiedidaktiker aus München haben eine Mischung entwickelt, die Schülerinnen und Schüler ab der Jahrgangsstufe fünf sicher handhaben können.
Closed loop variable gain ILC for a class of nonlinear parabolic distributed parameter systems with moving boundaries
Authors: Dai Xisheng , Zhang Hai , Wu Qiqi , Tian Senping 
Published: September 2021

AbstractThis article researched the output tracking problem of a class of nonlinear parabolic distributed parameter systems with moving boundaries. Considering the large deviation of the initial state reset of the system, a closed‐loop variable gain accelerated iterative learning control algorithm is designed. And sufficient condition for the convergence of the tracking error is given. Through rigorous theoretical analysis guaranteed that the tracking error of the system converges to zero in the positive direction of the iteration axis in the sense of the norm. Finally, the effectiveness of the designed algorithm is verified by a numerical simulation.
First Isolation and Structure Elucidation of GDNT‐β‐Glu – Tetraether Lipid Fragment from Archaeal Sulfolobus Strains
Authors: Scholte Alexander , Hübner Christoph , Ströhl Dieter , Scheufler Olaf , Czich Steffen , Börke Julia M. , Hildebrand Gerhard , Liefeith Klaus 
Published: September 2021

AbstractDue to their special chemical structure, tetraether lipids (TEL) represent essential elements of archaeal membranes, providing these organisms with extraordinary properties. Here we describe the characterization of a newly isolated structural element of the main lipids. The TEL fragment GDNT‐β‐Glu was isolated from Sulfolobus metallicus and characterized in terms of its chemical structure by NMR‐ and MS‐investigations. The obtained data are dissimilar to analogically derived established structures – in essence, the binding relationships in the polar head group are re‐determined and verified. With this work, we provide an important contribution to the structure elucidation of intact TEL also contained in other Sulfolobus strains such as Solfulobus acidocaldarius and Sulfolobus solfataricus.
Durable changes in the gut microbiome in survivors of childhood acute lymphoblastic leukemia
Authors: Bhuta Roma , DeNardo Bradley , Wang Jing , Atoyan Janet , Zhang Ying , Nelson David , Shapiro Jason 
Published: September 2021

AbstractThere are limiteddata on long‐term changes in the gut microbiome after acute lymphoblastic leukemia (ALL) therapy. We compared the gut microbial composition in stool samples of nine survivors of childhood ALL with 10 healthy sibling controls using 16S rRNA gene sequencing. Analysis of beta diversity within family units demonstrated a significant difference in bacterial strains between patients and healthy siblings. A significant difference in alpha diversity between patients and their healthy siblings was noted using Pielou's evenness. The composition of the gut microbiome differs between pediatric ALL survivors and healthy sibling controls for years after completion of therapy.