bluuebunny/crossref_metadata_2025 huggingface dataset:
Overproduce and select, or determine optimal molecular descriptor subset via configuration space optimization? Application to the prediction of ecotoxicological endpoints
Authors: García‐González Luis A. , Marrero‐Ponce Yovani , Brizuela Carlos A. , García‐Jacas César R.
Published: March 2023

Predicting the likely biological activity (or property) of compounds is a fundamental and challenging task in the drug discovery process. Current computational methodologies aim to improve their predictive accuracies by using deep learning (DL) approaches. However, non‐DL based approaches for small‐ and medium‐sized chemical datasets have demonstrated to be most suitable for. In this approach, an initial universe of molecular descriptors (MDs) is first calculated, then different feature selection algorithms are applied, and finally, one or several predictive models are built. Herein we demonstrate that this traditional approach may miss relevant information by assuming that the initial universe of MDs codifies all relevant aspects for the respective learning task. We argue that this limitation is mainly because of the constrained intervals of the parameters used in the algorithms that compute MDs, parameters that define the Descriptor Configuration Space (DCS). We propose to relax these constraints in an open CDS approach, so that a larger universe of MDs can be initially considered. We model the generation of MDs as a multicriteria optimization problem and tackle it with a variant of the standard genetic algorithm. As a novel component, the fitness function is computed by aggregating four criteria via the Choquet integral. Experimental results show that the proposed approach generates a meaningful DCS by improving state‐of‐the‐art approaches in most of the benchmarking chemical datasets accounted for.
Testing the independence of variables for specific covariance structures: A simulation study
Authors: Marques Filipe J. , Diogo Joana , Norouzirad Mina , Bispo Regina
Published: March 2023

In this work, we show how it is possible to test the nullity of covariances, in a set of variables, using a simple univariate procedure. The methodology proposed enables us to perform the multivariate test of independence of several variables, under specific conditions for the covariance structure. The methodology proposed may be used in the high‐dimensional setting and, given its simplicity, allows to overcome the difficulties in using the exact distribution of the statistic used in the likelihood ratio testing procedure. A simulation study is provided to assess the power and significance level, in different scenarios, of the testing procedure proposed when compared with different likelihood ratio tests and a methodology available in the literature.
Explicit solutions related to the Rubinstein binary‐alloy solidification problem with a heat flux or a convective condition at the fixed face
Authors: Venturato Lucas D. , Cirelli Mariela B. , Tarzia Domingo A.
Published: March 2023

Similarity solutions for the two‐phase Rubinstein binary‐alloy solidification problem in a semi‐infinite material are developed. These new explicit solutions are obtained by considering two cases: A heat flux or a convective boundary conditions at the fixed face, and the necessary and sufficient conditions on data are also given in order to have an instantaneous solidification process. We also show that all solutions for the binary‐alloy solidification problem are equivalent under some restrictions for data. Moreover, this implies that the coefficient that characterizes the solidification front for the Rubinstein solution must verify an inequality as a function of all thermal and boundary conditions.
The diagnosis of myasthenia gravis: The sensitive issue of specificity
Authors: Silvestri Nicholas J. , Narayanaswami Pushpa
Published: March 2023

See article on pages 464–468 in this issue.
Psychometric evaluation of the Chinese version of the supportive care needs survey for caregivers of children with Paediatric cancer (SCNS‐C‐Ped‐C)
Authors: Wang Jingting , Bi Xuanyi , Zhang Shuyi , Wang Yingwen , Wu Huifang , Yang Qi , Ma Linyu , Yuan Changrong
Published: March 2023

Aim

To revise the Supportive Care Needs Survey for Partners and Caregivers of Cancer Patients (SCNS‐P&C) and evaluate the psychometric properties of the Chinese Version of the Supportive Care Needs Survey for Caregivers of Children with Paediatric Cancer (SCNS‐C‐Ped‐C) in caregivers of children with paediatric cancer.

Design

A cross sectional design was used.

Methods

In this methodological research, the reliability and validity of the SCNS‐C‐Ped‐C were measured by a questionnaire survey among 336 caregivers of children with paediatric cancer in China. The construct validity was evaluated by exploratory factor analysis and internal consistency was examined by Cronbach's alpha, split‐half reliability, and corrected item‐to‐total correlation coefficients.

Results

The exploratory factor analysis revealed six factors consist of: Healthcare and Informational Needs, Daily Care and Communication Needs, Psychological and Spiritual Needs, Medical Service Needs, Economic Needs, and Emotional Needs, explaining 65.615% of the variance. The Cronbach's alpha was 0.968 at full scale and 0.603–0.952 on the six domains. The split‐half reliability coefficient was 0.883 at full scale and 0.659–0.931 on the six domains.

Conclusions

The SCNS‐C‐Ped‐C demonstrated both reliability and validity. It can be used to evaluate multi‐dimensional supportive care needs for caregivers of children with paediatric cancer in China.
Increasing diversity, equity, and inclusion in the fields of nutrition and obesity: A road map to equity in academia
Authors: Martin Samantha L. , Cardel Michelle I. , Carson Tiffany L. , Hill James O. , Stanley Takara , Grinspoon Steven , Steger Felicia , Blackman Carr Loneke T. , Ashby‐Thompson Maxine , Stewart Delisha , Ard Jamy ,   The Nutrition Obesity Research Center Task Force to Advance the Careers of Researchers from Groups Underrepresented in Academia, Stanford Fatima Cody
Published: March 2023

Research shows that a diverse faculty improves academic, clinical, and research outcomes in higher education. Despite that, persons in minority groups, usually categorized by race or ethnicity, are underrepresented in academia (URiA). The Nutrition Obesity Research Centers (NORCs), supported by the National Institute of Diabetes and Digestive and Kidney Diseases, hosted workshops on five separate days in September and October 2020. NORCs convened these workshops to identify barriers and facilitators for diversity, equity, and inclusion (DEI) and provide specific recommendations to improve DEI within obesity and nutrition for individuals from URiA groups. Recognized experts on DEI presented each day, after which the NORCs conducted breakout sessions with key stakeholders who engage in nutrition and obesity research. The breakout session groups included early‐career investigators, professional societies, and academic leadership. The consensus from the breakout sessions was that glaring inequities affect URiA in nutrition and obesity, particularly related to recruitment, retention, and advancement. Recommendations from the breakout sessions to improve DEI across academia focused on six themes: (1) recruitment, (2) retention, (3) advancement, (4) intersectionality of multiple challenges (e.g., being Black and a woman), (5) funding agencies, and (6) implementation of strategies to address problems related to DEI.
Kurangara in Queensland?: A Critique of Duncan‐Kemp's Account
Authors: Nash David
Published: March 2023

A particular historical travelling religious complex in northern Western Australia, usually known as Kurangara, has been the subject of anthropological attention since the late 1930s. Overlooked in all the literature is a similar account assigned to 1912–1918, in the distant Channel Country of southwest Queensland. This is in Alice Duncan‐Kemp's last book, published in 1968. My examination shows that a good deal of Duncan‐Kemp's account repeated parts of a 1954 popular magazine about Kurangara in the Pilbara. In other respects Duncan‐Kemp may have drawn on her own childhood experiences, but in the absence of corroboration her account has to be considered unreliable.
A socio‐psychological approach for understanding and managing bycatch in small‐scale fisheries
Authors: Booth Hollie , Ichsan Muhammad , Hermansyah Rizky Fajar , Rohmah Lailia Nur , Naira Kusuma Banda , Adrianto Luky , Milner‐Gulland Eleanor Jane
Published: March 2023

Fisheries bycatch is the greatest threat to migratory, long‐lived marine animals.

Addressing bycatch ultimately requires changing fisher behaviour, yet social and behavioural sciences are rarely applied to bycatch mitigation, with an absence of theory‐informed behaviour change interventions. Moreover, mitigating bycatch is particularly challenging in small‐scale mixed‐species fisheries (SSFs), where perceptions of target and non‐target vary widely, and all catches have economic or subsistence value. Such fisheries are ubiquitous throughout the world's oceans, and bycatch mitigation in these contexts necessitates a people‐centred approach.

We seek to address this gap, drawing on well‐established theories from behavioural and social sciences. We first typify bycatch as a spectrum rather than a clearly delineated component of catch, where the position of a species on this spectrum depends on fishers' beliefs regarding the outcomes of bycatch‐relevant behaviour. We then outline an approach to ‘diagnose’ fishers' underlying beliefs about bycatch, using the theory of planned behaviour (TPB): a widely applied and empirically tested theory for predicting and changing behaviour. Finally, we illustrate the approach using an empirical case study, exploring fishers' beliefs regarding bycatch‐relevant behaviour for three endangered elasmobranch species in a small‐scale gill net fishery in Indonesia.

Our findings show how the TPB can help to understand fishers' underlying beliefs regarding bycatch, and facilitators/inhibitors of bycatch mitigation, to inform behaviour change interventions. We emphasize the need to understand the human dimensions of bycatch, especially in SSFs, where technical fixes alone will be insufficient to change behaviour. Rather, interdisciplinary approaches are needed to align fishers' needs with conservation objectives.

Our bycatch spectrum and the TPB could be widely applied for disentangling drivers of bycatch in other SSFs and designing interventions which support more effective and socially just marine conservation.

Read the free Plain Language Summary for this article on the Journal blog.
A single‐center retrospective review of pediatric cases of progressive transformation of germinal centers
Authors: Sadanand Arhanti , Aljudi Ahmed , Bergsagel D. John , Keller Frank G.
Published: March 2023

Background

Progressive transformation of germinal centers (PTGC) is a rare diagnosis characterized by asymptomatic lymph node enlargement. It has previously been associated with lymphoma, autoimmune conditions, and lymphoproliferative diseases in small pediatric case series.

Procedures

We conducted a single‐center retrospective review of pediatric cases of PTGC diagnosed at our institution by hematopathologists from 2000 to 2020.

Results

We identified 57 primary cases and three recurrent cases of PTGC. Laboratory and imaging evaluations were obtained inconsistently. Nine patients (16%) saw a pediatric hematology/oncology (PHO) specialist prior to diagnosis, and 21 (37%) had follow‐up with PHO after diagnosis.

Conclusions

Patients with PTGC had similar age and involved lymph node sites to those from previous case series. Fewer patients underwent recurrent lymph node biopsy than previously described. PTGC has been linked to certain types of lymphoma, although never definitively associated with lymphoma. Follow‐up with a PHO provider is indicated to ensure that close surveillance is performed.
The role of multiparametric magnetic resonance in active surveillance of a low‐risk prostate cancer cohort from clinical practice
Authors: Chamorro Castillo L. , García Morales L. , Ruiz López D. , Salguero Segura J. , Valero Rosa J. , Anglada Curado FJ. , Mesa Quesada J. , Blanca Pedregosa A. , Carrasco Valiente J. , Gómez Gómez Enrique
Published: March 2023

Introduction

Active surveillance (AS) is considered a suitable management practice for those patients with low‐risk prostate cancer (PCa). At present, however, the role of multiparametric magnetic resonance imaging (mpMRI) in AS protocols has not yet been clearly established.

Outcomes

To determine the role of mpMRI and its ability to detect significant prostate cancer (SigPCa) in PCa patients enrolled in AS protocols.

Materials and Methods

There were 229 patients enrolled in an AS protocol between 2011 and 2020 at Reina Sofía University Hospital. MRI interpretation was based on PIRADS v.1 or v.2/2.1 classification. Demographics, clinical, and analytical data were collected and analyzed. Sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) were calculated for mpMRI in different scenarios. We defined SigPCa and reclassification/progression as a Gleason score (GS) ≥ 3 + 4, a clinical stage ≥T2b, or an increase in PCa volume. Kaplan–Meier and log‐rank tests were used to estimate progression‐free survival time.

Results

Median age was 69.02 (±7.73) at diagnosis, with a 0.15 (±0.08) PSA density (PSAD). Eighty‐six patients were reclassified after confirmatory biopsy, with a suspicious mpMRI an indication for a clear reclassification and risk‐predictor factor in disease progression (p < 0.05). During follow‐up, 46 patients were changed from AS to active treatment mainly due to disease progression. Ninety patients underwent ≥2mpMRI during follow‐up, with a median follow‐up of 29 (15–49) months. Thirty‐four patients had a baseline suspicious mpMRI (at diagnostic or confirmatory biopsy): 14 patients with a PIRADS 3 and 20 patients with ≥PIRADS 4. From 14 patients with a PIRADS 3 baseline mpMRI, 29% progressed radiologically, with a 50% progression rate versus 10% (1/10 patients) for those with similar or decreased mpMRI risk. Of the 56 patients with a non‐suspicious baseline mpMRI (PIRADS < 2), 14 patients (25%) had an increased degree of radiological suspicion, with a detection rate of SigPCa of 29%. The mpMRI NPV during follow‐up was 0.91.

Conclusion

A suspicious mpMRI increases the reclassification and disease progression risk during follow‐up and plays an important role in monitoring biopsies. In addition, a high NPV at mpMRI follow‐up can help to decrease the need to monitor biopsies during AS.
Patient‐reported functional outcomes and oncological control after primary focal cryotherapy for clinically significant prostate cancer: A Phase II mandatory biopsy‐monitored study
Authors: Tan Yu G. , Law Yan M. , Ngo Nye T. , Khor Li Y. , Tan Puay H. , Ong Enya H. W. , Yuen John S. P. , Ho Henry S. S. , Tuan Jeffrey K. L. , Kanesvaran Ravindran , Gupta Rajan T. , Rozen Steven , Chua Melvin L. K. , Polascik Thomas J. , Tay Kae Jack
Published: March 2023

Introduction

We report herein the impact of focal therapy (FT) on multi‐domain functional outcomes in a Phase II prospective clinical trial (NCT04138914) in focal cryotherapy for clinically significant prostate cancer (csPCa).

Methods

The primary outcome was the detection of a ≥5 point deterioration in any of the four main expanded prostate index composite (EPIC) functional domains. Pretreatment multiparametric magnetic resonance imaging (mpMRI) and transperineal targeted and systematic saturation biopsy were used to select patients with prostate‐specific antigen (PSA)≤20 ng/mL, Gleason grade group (GG) ≤4, mpMRI lesion volume ≤ 3 mL (for a single lesion) or ≤1.5 mL (where two lesions were present). Focal cryotherapy was performed with a minimum 5 mm margin around each target lesion. EPIC scores were obtained at baseline and posttreatment at 1, 3, 6, and 12 months. Mandatory repeat mpMRI and prostate biopsy were performed at 12 months to determine the infield and outfield recurrence.

Results

Twenty‐eight patients were recruited. The mean age was 68 years, with PSA of 7.3 ng/mL and PSA density of 0.19 ng/mL2. No Clavien–Dindo ≥3 complications occurred. Transient worsening of EPIC urinary (mean diff 16.0, p < 0.001, 95% confidence interval [CI]: 8.8–23.6) and sexual function scores (mean diff 11.0, p:0.005, 95% CI: 4.0–17.7) were observed at 1‐month posttreatment, with recovery by Month 3. A subgroup who had ablation extending to the neurovascular bundle had a trend to delayed recovery of sexual function to Month 6. At 12‐month repeat mpMRI and biopsy, 22 patients (78.6%) had no detectable csPCa. Of the six patients (21.4%) who had csPCa recurrences, four were GG2, one GG3, and one GG4. Four patients underwent repeat FT, one underwent radical prostatectomy, while the remaining one patient with low‐volume GG2 cancer opted for active surveillance.

Conclusion

FT using cryotherapy was associated with a transient deterioration of urinary and sexual function with resolution at 3 months posttreatment and with reasonable early efficacy in well‐selected csPCa patients.
Investigation of the Interplay Between Spin Density Wave and Superconductivity in High‐Temperature Iron‐Based Superconductor Ba1−xRbxFe2As2
Authors: Gardew Derejaw , Kahsay Gebregziabher , Negussie Tamiru
Published: March 2023

The current research work deals with the theoretical investigation of the interplay between spin density wave (SDW) and superconductivity in a two‐band model high‐temperature iron‐based superconductor by using the double‐time temperature‐dependent Green's function formalism. The superconductivity transition temperature () versus the spin density wave order parameter () for the electron and hole intrabands as well as the interband for the iron‐based superconductor has been plotted. With an increase in of the material, the superconductivity transition temperature decreases. In both intra‐ and interband pairings, the temperature at which the spin density wave transition () rises with increasing . The interplay between superconductivity and spin density wave of the electron and hole intraband interactions for . Furthermore, the phase diagram of the spin density wave parameter () versus temperature has been plotted, and the spin density wave parameter () is observed to decrease as the temperature rises and vanishes at the spin density wave transition temperature ().
Poly‐L‐lactic acid/lead(II) acetate basic colour indicator membrane for visual monitoring in shrimp freshness
Authors: Dong Yue , Sun Wuliang , Li Wenbo , Li Lianye , Xia Fei , Wu Lingling , Jin Ye , Saldaña Marleny D. A. , Sun Wenxiu
Published: March 2023

Seafood products are prone to deterioration and, therefore, require a label that identifies quality with the naked eye. A visual freshness colour indicator membrane incorporated with poly‐L‐lactic acid and lead(II) acetate basic is designed via electrospinning technology for freshness monitoring. The colour indicator membrane had a uniform fibre thickness with an average diameter of 1.54 μm and a large specific surface area. In addition, the colour stability of the membrane did not vary with temperature and humidity. The hydrogen sulfide (H2S) responsivity results showed that the membrane gave a rapid and accurate response to the freshness of shrimp, and the detection limit of H2S is 0.45 ppm. Finally, in application, the colour change of the membrane correlated linearly with the freshness of the shrimp, allowing the quality of the shrimp to be identified with the naked eye. The experimental results showed that poly‐L‐lactic acid/lead(II) acetate basic colour indicator membrane had great potential in the detection of shrimp freshness.
A Case of Cutaneous Scedosporium Apiospermum Infection in a Patient on a Janus Kinase Inhibitor
Authors: Born Louis J. , Ge Shealinna , Germanas Juris P.
Published: March 2023

Scedosporium apiospermum is a mold that is usually found in soil and polluted water, but has also been linked to contaminated ambient air in hospitals. This fungus typically behaves as a rare opportunistic pathogen affecting immunocompromised patients in whom disseminated disease can readily occur, causing shock and multiorgan failure. We report the first case of cutaneous Scedosporium apiospermum infection in a patient with rheumatoid arthritis treated with a Janus kinase inhibitor. We also reviewed other cutaneous manifestations of Scedosporium apiospermum reported between 2003 and 2022.
Low‐temperature synthesis of maize straw biochar‐ZnO nanocomposites for efficient adsorption and photocatalytic degradation of methylene blue
Authors: Han Yu , Wang Jinxin , Qi Dawei
Published: March 2023

As a new type of environmental functional material, biochar composites have become the focus of considerable interest in wastewater treatment research owing to their excellent adsorption and photocatalytic properties. However, the fabrication of cost‐effective biochar composites with high photocatalytic efficiencies at low synthesis temperatures remains challenging. In this study, biochar was prepared using an environmentally friendly hydrothermal method at a low temperature with maize straw as the waste material, instead high costs pyrolysis process. Hexagonal zinc oxide nanoparticles were grown in and on the biochar framework using the chemical deposition method. The adsorption and photocatalytic degradation performance of aqueous methylene blue (MB) solutions were investigated. We demonstrated that the photocatalytic degradation performance of the biochar‐ZnO composites was considerably higher than that of the most other reports. The degradation of the MB solutions (60 mg/L) reached 98.0 % in 240 min under low‐power ultraviolet light (50 W) irradiation. We propose that the synergetic effect of the high adsorption of the porous biochar and the photocatalytic activity of ZnO led to a high degradation efficiency. This study provides theoretical and practical guidance for the preparation of photocatalytic composites obtained from waste biomass materials by a cost‐efficient, fast, and environmentally friendly method, and the efficient degradation of dye pollutants in water.
Improved Dual‐Polarity Response via Pyro‐phototronic Effect for Filterless Visible Light Communication
Authors: Zhang Boyong , Chang Yu , Han Zhuokun , Wang Wencan , Luo Bingcheng , Zhai Wei , Wang Jianyuan
Published: March 2023

Dual‐polarity response photodetectors (PDs) take full advantage of the directivity of the photocurrent to identify optical information. The dual‐polarity signal ratio, a key parameter that represents the equilibrium degree of responses to different lights, is proposed for the first time. The synchronous enhancement of dual‐polarity photocurrents and the amelioration of the dual‐polarity signal ratio are beneficial to the practical applications. Herein, based on the selective light absorption and energy band structure design, a self‐powered CdS/PEDOT:PSS/Au heterojunction PD consisting of a p‐n junction and a Schottky junction exhibits unique wavelength‐dependent dual‐polarity response, where the photocurrent is negative and positive in the short and long wavelength regions, respectively. More importantly, the pyro‐phototronic effect inside the CdS layer significantly improves the dual‐polarity photocurrents with the maximum enhancement factors of 120%, 343%, 1167%, 1577%, and 1896% at 405, 450, 532, 650, and 808 nm, respectively. Furthermore, the dual‐polarity signal ratio tends to 1:1 due to different degrees of the enhancement. This work provides a novel design strategy for dual‐polarity response PDs with a simple working principle and improved performance, which can supply a substitution for two traditional PDs in the filterless visible light communication (VLC) system.
Self‐Transformation Strategy Toward Vanadium Dioxide Cathode For Advanced Aqueous Zinc Batteries
Authors: Deng Wenjing , Xu Zhixiao , Li Ge , Wang Xiaolei
Published: March 2023

In the lithium‐dominated era, rechargeable Zn batteries are emerging as a competitive alternative. However, the sluggish kinetics of ion diffusion and structural destruction of cathode materials have thus far hampered the realization of future large‐scale energy storage. Herein, an in situ self‐transformation approach is reported to electrochemically boost the activity of a high‐temperature, argon‐treated VO2 (AVO) microsphere for effective Zn ion storage. The presynthesized AVO with hierarchical structure and high crystallinity allows efficient electrochemical oxidation and water insertion to induce self‐phase transformation into V2O5·nH2O within the first charging process, which leads to rich active sites and fast electrochemical kinetics. Using AVO cathode, an outstanding discharge capacity of 446 mAh g−1 at 0.1 A g−1, high rate capability of 323 mAh g−1 at 10 A g−1 and excellent cycling stability for 4000 cycles at 20 A g−1 with high capacity retention are demonstrated. Importantly, such zinc‐ion batteries with phase self‐transition can also perform well at high‐loading, sub‐zero temperature, or pouch cell conditions for practical application. This work not only paves a new route to design in situ self‐transformation in energy storage devices, but also broadens the horizons of aqueous zinc‐supplied cathodes
Sandwiched Polymer Nanocomposites Reinforced by Two‐Dimensional Interface Nanocoating for Ultrahigh Energy Storage Performance at Elevated Temperatures
Authors: Wang Yifei , Zhou Jierui , Konstantinou Antigoni C. , Baferani Mohamadreza Arab , Davis‐Amendola Kerry , Gao Wenqiang , Cao Yang
Published: March 2023

Polymer‐based dielectrics are essential components in electrical and power electronic systems for high power density storage and conversion. A mounting challenge for polymer dielectrics is how to maintain their electrical insulation at not only high electric fields but also elevated temperatures, in order to meet the growing needs for renewable energies and grand electrifications. Here, a sandwiched barium titanate/polyamideimide nanocomposite with reinforced interfaces via two‐dimensional nanocoatings is presented. It is demonstrated that boron nitride and montmorillonite nanocoatings can block and dissipate injected charges, respectively, to present a synergetic effect on the suppression of conduction loss and the enhancement of breakdown strength. Ultrahigh energy densities of 2.6, 1.8, and 1.0 J cm−3 are obtained at 150 °C, 200 °C, and 250 °C, respectively, with a charge‐discharge efficiency >90%, far outperforming the state‐of‐the‐art high‐temperature polymer dielectrics. Cyclic charge‐discharge tests up to 10 000 times verify the excellent lifetime of the interface‐reinforced sandwiched polymer nanocomposite. This work provides a new pathway to design high‐performance polymer dielectrics for high‐temperature energy storage via interfacial engineering.
Combining object‐oriented metrics and centrality measures to predict faults in object‐oriented software: An empirical validation
Authors: Ouellet Alexandre , Badri Mourad
Published: March 2023

Many object‐oriented metrics have been proposed in the literature to measure various structural properties of object‐oriented software. Furthermore, many centrality measures have been introduced to identify central nodes in large networks. However, few studies have used them to measure dependencies in software systems. In fact, centrality measures, as opposed to most traditional object‐oriented metrics that mainly focus on intrinsic properties of classes, can be used to better model the control flow and to identify the most important classes in a software system. This paper aims (1) to investigate the relationships between object‐oriented metrics and centrality measures and (2) to explore the ability of their combination to support fault‐proneness prediction from different perspectives (fault‐prone classes, fault severity, and number of faults). Many studies in the literature have addressed the prediction of fault‐prone classes, from different perspectives, using object‐oriented metrics. The main motivation here is in fact to investigate if the information captured by centrality measures is related to fault proneness and complementary to the information captured by object‐oriented metrics and to investigate if the combination of object‐oriented metrics and centrality measures improves the performance of fault‐proneness prediction significantly. We used size, complexity, and coupling object‐oriented metrics in addition to various centrality measures. We collected data from 20 different versions of five open‐source Java software systems. We first studied the relationships between selected metrics and their relationships to fault proneness. Then, we built different models to predict fault‐prone classes using several machine learning algorithms. In addition, we built models to predict if a class contains a high severity fault, and the number of faults in a class. Results indicate that using centrality measures in combination with object‐oriented metrics improves the prediction of fault‐prone classes as well as the prediction of the number of faults in a class. However, the combination has no significant impact, according to the data we collected, on the quality of the prediction of fault severity. Moreover, using centrality measures in combination with object‐oriented metrics also improves the prediction performance of fault proneness and the number of faults in both cross‐version and cross‐system validation.
A Direct Real‐Time Observation of Anion Intercalation in Graphite Process and Its Fully Reversibility by SAXS/WAXS Techniques
Authors: Greco Giorgia , Elia Giuseppe Antonio , Hermida‐Merino Daniel , Hahn Robert , Raoux Simone
Published: March 2023

The process of anion intercalation in graphite and its reversibility plays a crucial role in the next generation energy‐storage devices. Herein the reaction mechanism of the aluminum graphite dual ion cell by operando X‐ray scattering from small angles to wide angles is investigated. The staging behavior of the graphite intercalation compound (GIC) formation, its phase transitions, and its reversible process are observed for the first time by directly measuring the repeated intercalation distance, along with the microporosity of the cathode graphite. The investigation demonstrates complete reversibility of the electrochemical intercalation process, alongside nano‐ and micro‐structural reorganization of natural graphite induced by intercalation. This work represents a new insight into thermodynamic aspects taking place during intermediate phase transitions in the GIC formation.
Accelerated Photostability Studies of Colloidal Quantum Dots
Authors: Morshedian Hamed , Abolhasani Milad
Published: March 2023

Photostability of colloidal quantum dots (QDs) is one of the major criteria determining their long‐term applicability in energy and chemical technologies. Yet, photostability studies of QDs are extremely sensitive to experimental conditions, lack a detailed mechanistic understanding, and are time‐, material‐, and labor‐intensive. Herein, an automated microfluidic platform for accelerated photostability studies of colloidal QDs is introduced, 3.5× faster and 100× more material efficient than the conventional flask‐based studies. The developed microfluidic strategy provides real‐time in situ access to the optical properties of QDs throughout the photostability experiments. Specifically, the material‐efficient microfluidic platform is used to study the mechanism and kinetics of CdSe QDs' photodegradation. The studies suggest that a generation of singlet oxygen via triplet energy transfer from colloidal CdSe QDs can initiate photo‐oxidation of CdSe QDs. Furthermore, the presence of at least one additional photodegradation pathway of CdSe QDs parallel to the photo‐oxidation pathway is unveiled. The systematic photostability experiments reveal how the incident photon flux and the starting average diameters of CdSe QDs affect their photodegradation rates. This work sheds light on the complex and multifaceted photodegradation phenomena of colloidal CdSe QDs and illustrates the unique characteristics of microfluidic strategies to improve and accelerate photostability studies of QDs.
Scaling scrum with a customized nexus framework: A report from a joint industry‐academia research project
Authors: Joskowski Andrzej , Przybyłek Adam , Marcinkowski Bartosz
Published: March 2023

Despite a wide range of scaling frameworks available, large‐scale agile transformations are not straightforward undertakings. Few organizations have structures in place that fit the predefined workflows – while once one applies an off‐the‐shelf framework outside of its prescribed process, guidance quickly runs out. In this paper, we demonstrate how to instantiate a method configuration process using a lightweight experimental approach embedded in Action Research cycles. The proposed approach was developed to assist practitioners working on a multiple‐team project at Intel Technology Poland to find the right practices to continue their Nexus‐based transformation and integrate their in‐house method into the already established company structures, processes, and routines. In particular, it enabled identifying a series of challenges with scaled practices and coping with those. The challenges ranged from logistical problems, through poor availability of the Product Owner, to lackluster knowledge transfer and a wide array of communication/coordination issues at meetings. The study broadens the current body of knowledge within technology management and the scaled agile method‐tailoring domain. It indicates potential corrective actions that may be taken advantage of by entities that are not inclined, due to organizational constraints, to directly implement an off‐the‐shelf framework. Furthermore, our study demonstrates that a gradual transition to large‐scale agile at the project level (1) is possible with the preservation of traditional command‐and‐control management practices; (2) requires neither middle management involvement nor upfront investment; and (3) does not need to disrupt the continuous delivery of the product.
Tribological Behavior of SINTER30 Steel Subjected to Duplex Treatment
Authors: Macedo Francisco Rafael Campos de , Sousa Rômulo Ribeiro Magalhães de , Junior José Wellinton Nogueira , Luz-Lima Cleânio , Libório Maxwell Santana , Lobo Anderson de Oliveira , Trava-Airoldi Vladimir Jesus , Marciano Fernanda Roberto , Feitor Michelle Cequeira , Costa Thércio Henrique de Carvalho , Nascimento Rubens Maribondo do
Published: March 2023

Plasma nitriding has been extensively used to improve materials’ surface and mechanical properties using conventional plasma techniques. However, this process generally results in a nonuniformity of the properties. In the cathodic cage plasma nitriding (CCPN), the plasma is active only on the surface of the cathodic cage, eliminating inherent defects of conventional plasma nitriding. Herein, a duplex treatment, CCPN and TiN deposition, is used on SINTER30 tool steel for the first time. Vickers microhardness tests, X‐ray diffractometry, Raman scattering spectroscopy, and scratching tests characterize the samples. The results show that TiN post‐coating attains higher surface hardness. All the groups increase their microhardness properties when compared with nontreated substrates. The prior treatment of plasma nitriding assists hardening of the substrate surface. The best condition is obtained when the sample is placed inside the titanium cage and positions directly on the sample port, with simultaneous duplex treatment. When the substrate passes through this simultaneous duplex process, peaks corresponding to Fe3N and TiN are observed at Raman spectra. Suitable TiN layers improve the film adhesion, which is correlated to the system's load‐bearing capacity.
Processing Fundamentals and Performance Investigation of Selective Laser Melting of High‐Speed Steel in Reactive N2 Atmosphere
Authors: Zhang Xinyue , Sun Haixia , Gao Shuohong , Luo Yonghao
Published: March 2023

The distinct deposition method of selective laser melting (SLM) enables the near‐net‐shaping of high‐speed steel tools with complex geometries and integrated functions, such as adapted cooling channels, which offers economic advantages and has, thus, attracted considerable attention. However, SLM‐processed high‐speed steels are prone to cracking due to their high carbon and alloying element contents and high internal stresses. Varying the steel composition to stabilize austenite can help to reduce the residual stresses. Herein, the effect of nitrogen atmosphere on the densification behavior, microstructural evolution, and mechanical properties of high‐speed steel in the SLM process is investigated. The results demonstrate that nitrogen can dissolve in the steel. In combination with suitable SLM parameters, this leads to a fully austenitic microstructure with no cracks. After heat treatment, the microstructure of steel transforms into tempered martensite, along with the precipitation of tiny V‐rich M(C,N) carbonitride and V‐rich MC carbide. The hardness and bending strength of the tempered sample reach the highest of 61.3 HRC and 3659 MPa, respectively. Its abrasive resistance is also improved. An alloy design idea is provided that is based on the reactive atmosphere of high‐speed steel and other materials for processing by SLM.
Insight into Interaction Behavior of CeAlO3 Substrate and CaO‐Al2O3‐Based Slag
Authors: Zheng Xiang , Qi Jie , Zheng Yihao , Liu Chengjun
Published: March 2023

Dissolution of inclusion in the melt is a common phenomenon in the metallurgy industry. In this article, the dissolution mechanism of CeAlO3 in CaO‐Al2O3‐Ce2O3‐MgO‐SiO2 slag is investigated at 1550 °C. After CeAlO3 dissolves into slag, the interfacial microstructure and the concentration profiles of the element between CeAlO3 and slag are observed by scanning electron microscopy‐energy dispersive spectroscopy. Results show that an intermediate product CaCeAl3O7 formed during CeAlO3 dissolves into the slag with w(CaO)/w(Al2O3) = 1. There is no intermediate product formed during CeAlO3 dissolves into the slag with w(CaO)/w(Al2O3) above 1.1. With the increase of w(CaO)/w(Al2O3) in the slag, the dissolution of CeAlO3 shifts from an indirect mechanism to a direct mechanism. The dissolution behavior of CeAlO3 in different slags has been discussed based on slag structure. In the first and second stages of dissolution, Ce3+ formed by dissociation of CeAlO3 at the interface diffuses into the slag, and Ca2+ in the slag diffuses to the interface. In the third stage, the solid‐phase precipitation when the concentration of Ca2+, Ce3+, and [AlO4]5− satisfies the nucleation concentration of CaCeAl3O7 in the concentration boundary layer (the region with large concentration gradient near the interface). Conversely, the solid‐phase precipitation could not occur in the concentration boundary layer.
Deformation‐Inhibited Cementite Precipitation Effect and Its Influence on Residual Stress
Authors: Yan Chengbo , Ding Wenhong , Liang Liang , Lu Xiaoxuan , Liu Yisi , Lei Xiaoling , Xiao Shaolin
Published: March 2023

High‐strength steels with low carbon content have low stress relaxation during tempering and are prone to distortion during processing. To improve tempering stress relaxation, 10% compression predeformation is introduced. Carbide precipitation is characterized by dislocation density and dilatometry curves, and the evolution of residual stress during tempering is investigated. The results show that predeformation can inhibit cementite precipitation, increase the effective carbon concentration in the ferrite matrix, and induce the diffuse precipitation of alloy carbides. The dispersed alloy carbides provide more interfaces for Mn partitioning, strengthen the transformation plasticity, and enhance the stress relaxation. After tempering at 700 °C for 30 min, the average residual stress and the elastic strain energy of undeformed/predeformed specimens are 39.18/13.25 MPa and 25.40%/90.92%, respectively.
Investigation of the strut‐and‐tie model of a single‐plane cable‐stayed bridge tower under vertical component of the cable force
Authors: Li Shengyu , Hong Yu , Chen Liangjun , Pu Qianhui
Published: March 2023

The design of reinforcement of concrete pylons in cable‐stayed bridges is a challenging task. Usually, only the influence of the strong horizontal component of the cable force is considered during the reinforcement design of the concrete tower, while the bursting forces caused by the vertical components of the cable forces are ignored. However, the latter is also an important factor for concrete cracking in bridge towers. In this paper, the concrete tower of a single cable plane cable‐stayed bridge is considered. The strut‐and‐tie model (STM) of the pylon wall subject to the vertical components of one single cable force was derived. Based on the minimum strain energy principle, an equation for predicting the bursting force was given. Then, the STMs of a concrete pylon with two cable forces with different vertical distances between cables were proposed. A series of equations for predicting the bursting force in different STMs were presented. The STMs of a concrete pylon with multiple cables were subsequently obtained from the STM for two cable forces. The analysis results show that the vertical distance between cables has a great influence on the STM configuration of the tower. When the cable distance is less than 0.7 times the width of the tower wall, the bursting force is larger than that when the cable distance is larger than 0.7 times the width of the tower wall. This study was expected to provide a reference in the design and applications of pylons of concrete cable‐stayed bridges.
Meta‐QTL s and haplotypes for efficient zinc biofortification of rice
Authors: Joshi Gaurav , Soe Yan Paing , Palanog Alvin , Hore Tapas Kumer , Nha Chau Thanh , Calayugan Mark Ian , Inabangan‐Asilo Mary Ann , Amparado Amery , Pandey Indra Deo , Cruz Pompe C. Sta , Hernandez Jose E. , Swamy B. P. Mallikarjuna
Published: March 2023

Biofortification of rice with improved grain zinc (Zn) content is the most sustainable and cost‐effective approach to address Zn malnutrition in Asia. Genomics‐assisted breeding using precise and consistent Zn quantitative trait loci (QTLs), genes, and haplotypes can fast‐track the development of Zn biofortified rice varieties. We conducted the meta‐analysis of 155 Zn QTLs reported from 26 different studies. Results revealed 57 meta‐QTLs with a significant reduction of 63.2% and 80% in the number and confidence interval of the Zn QTLs, respectively. Meta‐quantitative trait loci (MQTLs) regions were found to be enriched with diverse metal homeostasis genes; at least 11 MQTLs were colocated with 20 known major genes involved in the production of root exudates, metal uptake, transport, partitioning, and loading into grains in rice. These genes were differentially expressed in vegetative and reproductive tissues, and a complex web of interactions were observed among them. We identified superior haplotypes and their combinations for nine candidate genes (CGs), and the frequency and allelic effects of superior haplotypes varied in different subgroups. The precise MQTLs with high phenotypic variance, CGs, and superior haplotypes identified in our study are useful for an efficient Zn biofortification of rice and to ensure Zn as an essential component of all the future rice varieties through mainstreaming of Zn breeding.
Experimental approaches to study evolutionary cell biology using yeasts
Authors: Natalino Mariana , Fumasoni Marco
Published: March 2023

The past century has witnessed tremendous advances in understanding how cells function. Nevertheless, how cellular processes have evolved is still poorly understood. Many studies have highlighted surprising molecular diversity in how cells from diverse species execute the same processes, and advances in comparative genomics are likely to reveal much more molecular diversity than was believed possible until recently. Extant cells remain therefore the product of an evolutionary history that we vastly ignore. Evolutionary cell biology has emerged as a discipline aiming to address this knowledge gap by combining evolutionary, molecular, and cellular biology thinking. Recent studies have shown how even essential molecular processes, such as DNA replication, can undergo fast adaptive evolution under certain laboratory conditions. These developments open new lines of research where the evolution of cellular processes can be investigated experimentally. Yeasts naturally find themselves at the forefront of this research line. Not only do they allow the observation of fast evolutionary adaptation, but they also provide numerous genomic, synthetic, and cellular biology tools already developed by a large community. Here we propose that yeasts can serve as an “evolutionary cell lab” to test hypotheses, principles, and ideas in evolutionary cell biology. We discuss various experimental approaches available for this purpose, and how biology at large can benefit from them.
Impact of Ligands on the Properties of Lanthanide Metal‐Organic Frameworks
Authors: Li Yu , Zhou Xiaojing , Gao Dameng , Cheng Peng , Ma Jian‐Gong , Song Datong
Published: March 2023

A series of lanthanide metal‐organic frameworks (MOFs) have been assembled with a series of functionalized [1,1′:4′,1′′‐terphenyl]‐4,4′′‐dicarboxylic acid ligands. The relationship between the ligand properties and the corresponding MOF properties has been studied. The structures of the MOFs depend on the solvent‐ligand and ligand‐ligand interactions, as well as the size of the non‐coordinating functional groups of the ligands. The differences in thermal stability among the ligands are inherited and amplified by corresponding lanthanide MOFs. The ligands bearing methyl, ether, and aldehyde functional groups are capable of sensitizing the emission from the lanthanide centers, whereas the ligand with α,β‐unsaturated ketone functional groups are non‐emissive due to the mismatch of the ligand and metal energy levels.
MAP Inference in Probabilistic Answer Set Programs
Authors: Azzolini Damiano , Bellodi Elena , Riguzzi Fabrizio
Published: March 2023

Reasoning with uncertain data is a central task in artificial intelligence. In some cases, the goal is to find the most likely assignment to a subset of random variables, named query variables, while some other variables are observed. This task is called Maximum a Posteriori (MAP). When the set of query variables is the complement of the observed variables, the task goes under the name of Most Probable Explanation (MPE). In this paper, we introduce the definitions of cautious and brave MAP and MPE tasks in the context of Probabilistic Answer Set Programming under the credal semantics and provide an algorithm to solve them. Empirical results show that the brave version of both tasks is usually faster to compute. On the brave MPE task, the adoption of a state-of-the-art ASP solver makes the computation much faster than a naive approach based on the enumeration of all the worlds.
Brane brick models for the Sasaki-Einstein 7-manifolds Yp,k(ℂℙ1 × ℂℙ1) and Yp,k(ℂℙ2)
Authors: Franco Sebastián , Ghim Dongwook , Seong Rak-Kyeong
Published: March 2023

Abstract

The 2d (0, 2) supersymmetric gauge theories corresponding to the classes of Yp,k(ℂℙ1× ℂℙ1) and Yp,k(ℂℙ2) manifolds are identified. The complex cones over these Sasaki-Einstein 7-manifolds are non-compact toric Calabi-Yau 4-folds. These infinite families of geometries are the largest ones for Sasaki-Einstein 7-manifolds whose metrics, toric diagrams, and volume functions are known explicitly. This work therefore presents the largest list of 2d (0, 2) supersymmetric gauge theories corresponding to Calabi-Yau 4-folds with known metrics.