bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nonmetallic‐Bonding Fe–Mn Diatomic Pairs Anchored on Hollow Carbonaceous Nanodisks for High‐Performance Li–S Battery
Authors: Zhang Tengfei , Luo Dengfeng , Xiao Hong , Liang Xiao , Zhang Fanchao , Zhuang Huifeng , Xu Mengyuan , Dai Wenjing , Qi Shuanhu , Zheng Lirong , Gao Qiuming 
Published: September 2023

AbstractThe issues of polysulfide shuttling and lethargic sulfur redox reaction (SROR) kinetics are the toughest obstacles of lithium–sulfur (Li–S) battery. Herein, integrating the merits of increased density of metal sites and synergistic catalytic effect, a unique single‐atom catalyst (SAC) with nonmetallic‐bonding Fe–Mn diatomic pairs anchored on hollow nitrogen‐doped carbonaceous nanodisk (denoted as FeMnDA@NC) is successfully constructed and well characterized by aberration‐corrected high‐angle annular dark‐field scanning transmission electron microscopy, X‐ray absorption spectroscopy, etc. Density functional theory calculation indicates that the Fe–Mn diatomic pairs can effectively inhibit the shuttle effect by enhancing the adsorption ability retarding the polysulfide migration and accelerate the SROR kinetics. As a result, the Li–S battery assembled with FeMnDA@NC modified separator possesses an excellent electrochemical performance with ultrahigh specific capacities of 1419 mAh g−1 at 0.1 C and 885 mAh g−1 at 3.0 C, respectively. An outstanding specific capacity of 1165 mAh g−1 is achieved at 1.0 C and maintains at 731 mAh g−1 after 700 cycles. Notably, the assembled Li–S battery with a high sulfur loading of 5.35 mg cm−2 harvests a practical areal capacity of 5.70 mAh cm−2 at 0.2 C. A new perspective is offered here to construct advanced SACs suitable for the Li–S battery.
Security‐based code smell definition, detection, and impact quantification in Android
Authors: Zhong Yi , Shi Mengyu , He Jiawei , Fang Chunrong , Chen Zhenyu 
Published: September 2023

AbstractAndroid's high market share and extensive functionality make its security a significant concern. Research reveals that many security issues are caused by insecure coding practices. As a poor design indicator, code smell threatens the safety and quality assurance of Android applications (apps). Although previous works revealed specific problems associated with code smells, the field still lacks research reflecting Android features. Moreover, the cost and time limit developers to repairing numerous smells timely. We conducted a study, includingDefinition,Detection, andImpactQuantification for Android code smell (DefDIQ): (1) define 15 novel code smells in Android from a security programming perspective and provide suggestions on how to eliminate or mitigate them; (2) implement DACS (Detect Android Code Smell) to automatically detect the custom code smells based on ASTs; (3) investigate the correlation between individual smells with DACS detection results, select suitable code smells to construct fault counting models, then quantify their impact on quality, and thereby generating code smell repair priorities. We conducted experiments on 4575 open‐source apps, and the findings are: (i) Lin's CCC between DACS and manual detection results reaches 0.9994, verifying the validity; (ii) the fault counting model constructed by zero‐inflated negative binomial is superior to negative binomial (AIC = 517.32, BIC = 522.12); some smells do indicate fault‐proneness, and we identify such avoidable poor designs; (iii) different code smells have different levels of importance and the repair priorities constructed provide a practical guideline for researchers and inexperienced developers.
Structural and Physicochemical Properties of Common Buckwheat Starch in Response to Different Fertilization Levels
Authors: Lei Xinhui , Wan Chenxi , Tao Jincai , Wu Yixin , Wang Jiale , Yang Qinghua , Feng Baili , Gao Jinfeng 
Published: September 2023

AbstractBuckwheat is a typical medicinal and edible crop with high nutritional value, and the application of appropriate fertilizer can improve the quality of buckwheat starch. The changes of internal structure and physicochemical characteristics of common buckwheat grain starch under low, medium, and high fertilization levels are investigated. With increasing fertilizer amount, the volume proportion is increased, while the granule size distribution is reduced significantly. All of the common buckwheat starch samples show a typical A‐type pattern in X‐ray diffraction detection. Furthermore, with the increase of fertilization level, the amylose content, retrogradation, and the ratio of 1045/1022 cm−1 reduce and then raise, but the relative crystallinity, the ratio of 1022/995 cm−1, light transmittance, solubility, and swelling power increase and then decrease. In comparison to other fertilization levels, common buckwheat starch at the medium level has greater pasting temperatures and gelatinization enthalpy but lower pasting viscosities. These results indicate the medium fertilization level of 180 (N), 115.2 (P), and 84.6 (K) kg h−1 m−2 is more suitable for buckwheat starch quality, which can give information for buckwheat cultivation.
The role of forensic science in the generation of intelligence to address environmental water contamination problems
Authors: Estoppey Nicolas , Pfeiffer Fabienne , Glanzmann Vick , Reymond Naomi , Tascon Ines , Huisman Sofie , Lacour William , Ribaux Olivier , Weyermann Céline 
Published: September 2023

AbstractWater contamination is a growing concern in society. New environmental laws are being enacted to define intolerable human activities, and their enforcement is increasingly supported by forensic science. However, water contamination is a broader security issue that is not only caused by illegal human behavior. Risk‐based approaches are needed to prevent (re)occurrence of incidents and minimize their negative consequences. This can be achieved through the formalization of a monitoring process producing intelligence (i.e., actionable knowledge), crucial to detect recurring incidents, and guiding decision‐makers in their choice of preventive and responsive actions. In this perspective, forensic science has a key role to play in integrating vestiges from water‐contaminating activities (i.e., traces) in such a problem‐solving process. Information conveyed by traces allows detecting similarities among contamination events (i.e., patterns), inferring common causes, and better understanding of mechanisms and consequences of water contamination. The different stages of the process will be described and illustrated through a real case example. Current barriers to the implementation of such a process are then discussed, showing how systemic issues and complexity may prevent the establishment of links across contamination events, thus negatively impacting the generation of intelligence. To overcome these obstacles, we underline the importance to initiate local and size‐limited approaches by implementing relatively simple and flexible systems. New knowledge can be used to improve local situations and help stakeholders to understand the benefits of such a process; then, by a bottom‐up iterative learning process, the approach can be given a greater ambition at a larger scale.This article is categorized under:
Forensic Science in Action/Crime Scene Investigation > Special Situations and Investigations
Crime Scene Investigation > From Traces to Intelligence and Evidence
Forensic Chemistry and Trace Evidence > Forensic Food and Environment Analysis
Bismuth trihalide based coordination polymers with the N‐donor cyanopyridine as source for charge transfer based luminescence
Authors: Borysova Kateryna V. , Sorg Jens R. , Mikhalyova Elena A. , Oberst Katharina , Würtele Christian , Müller‐Buschbaum Klaus 
Published: September 2023

AbstractTwo one‐dimensional bismuth trihalide coordination polymers (CPs)
[BiCl3(4‐cypy)2]n and
BiBr3(4‐cypy)2]n were obtained by the solvent free melt approach in molten 4‐cyanopyridine under inert conditions and reduced pressure. The bismuth ions are surrounded by four halide atoms and two nitrogen atoms of the pyridyl ring of 4‐cypy in trans‐mode. The polymeric linkage of both CPs is achieved by halide‐bismuth interactions while the 4‐cyanopyridine ligands show π‐stacking interactions of their aromatic backbone. Both of compounds possess sufficiently intensive luminescence in the blue‐green region of the visible spectra upon cooling to 77 K following the trend of halide anion influence on the position of the emission band. Emission of these CPs arises from the contribution of two energy transfer mechanisms, MLCT from Bi3+ to ligand and LMCT from ligand to Bi3+, respectively.
Theoretical Aspects in Penalty Hyperparameters Optimization
Authors: Esposito Flavia , Selicato Laura , Sportelli Caterina 
Published: September 2023

AbstractLearning processes play an important role in enhancing understanding and analyzing real phenomena. Most of these methodologies revolve around solving penalized optimization problems. A significant challenge arises in the choice of the penalty hyperparameter, which is typically user-specified or determined through Grid search approaches. There is a lack of automated tuning procedures for the estimation of these hyperparameters, particularly in unsupervised learning scenarios. In this paper, we focus on the unsupervised context and propose a bi-level strategy to address the issue of tuning the penalty hyperparameter. We establish suitable conditions for the existence of a minimizer in an infinite-dimensional Hilbert space, along with presenting some theoretical considerations. These results can be applied in situations where obtaining an exact minimizer is unfeasible. Working on the estimation of the hyperparameter with the gradient-based method, we also introduce a modified version of Ekeland’s principle as a stopping criterion for these methods. Our approach distinguishes from conventional techniques by reducing reliance on random or black-box strategies, resulting in stronger mathematical generalization.
Functions of the RIP kinase family members in the skin
Authors: Urwyler-Rösselet Corinne , Tanghe Giel , Devos Michael , Hulpiau Paco , Saeys Yvan , Declercq Wim 
Published: September 2023

AbstractThe receptor interacting protein kinases (RIPK) are a family of serine/threonine kinases that are involved in the integration of various stress signals. In response to several extracellular and/or intracellular stimuli, RIP kinases engage signaling cascades leading to the activation of NF-κB and mitogen-activated protein kinases, cell death, inflammation, differentiation and Wnt signaling and can have kinase-dependent and kinase-independent functions. Although it was previously suggested that seven RIPKs are part of the RIPK family, phylogenetic analysis indicates that there are only five genuine RIPKs. RIPK1 and RIPK3 are mainly involved in controlling and executing necroptosis in keratinocytes, while RIPK4 controls proliferation and differentiation of keratinocytes and thereby can act as a tumor suppressor in skin. Therefore, in this review we summarize and discuss the functions of RIPKs in skin homeostasis as well as the signaling pathways involved.
TGFβ signaling links early life endocrine-disrupting chemicals exposure to suppression of nucleotide excision repair in rat myometrial stem cells
Authors: Bariani Maria Victoria , Cui Yan-Hong , Ali Mohamed , Bai Tao , Grimm Sandra L. , Coarfa Cristian , Walker Cheryl L. , He Yu-Ying , Yang Qiwei , Al-Hendy Ayman 
Published: September 2023

AbstractEnvironmental exposure to endocrine-disrupting chemicals (EDCs) is linked to the development of uterine fibroids (UFs) in women. UFs, non-cancerous tumors, are thought to originate from abnormal myometrial stem cells (MMSCs). Defective DNA repair capacity may contribute to the emergence of mutations that promote tumor growth. The multifunctional cytokine TGFβ1 is associated with UF progression and DNA damage repair pathways. To investigate the impact of EDC exposure on TGFβ1 and nucleotide excision repair (NER) pathways, we isolated MMSCs from 5-month-old Eker rats exposed neonatally to diethylstilbestrol (DES), an EDC, or to vehicle (VEH). EDC-MMSCs exhibited overactivated TGFβ1 signaling and reduced mRNA and protein levels of NER pathway components compared to VEH-MMSCs. EDC-MMSCs also demonstrated impaired NER capacity. Exposing VEH-MMSCs to TGFβ1 decreased NER capacity while inhibiting TGFβ signaling in EDC-MMSCs restored it. RNA-seq analysis and further validation revealed decreased expression of Uvrag, a tumor suppressor gene involved in DNA damage recognition, in VEH-MMSCs treated with TGFβ1, but increased expression in EDC-MMSCs after TGFβ signaling inhibition. Overall, we demonstrated that the overactivation of the TGFβ pathway links early life exposure to EDCs with impaired NER capacity, which would lead to increased genetic instability, arise of mutations, and fibroid tumorigenesis. We demonstrated that the overactivation of the TGFβ pathway links early life exposure to EDCs with impaired NER capacity, which would lead to increased fibroid incidence.
Identification of sodium channel toxins from marine cone snails of the subgenera Textilia and Afonsoconus
Authors: McMahon Kirsten L. , O’Brien Henrik , Schroeder Christina I. , Deuis Jennifer R. , Venkatachalam Dhananjeyan , Huang Di , Green Brad R. , Bandyopadhyay Pradip K. , Li Qing , Yandell Mark , Safavi-Hemami Helena , Olivera Baldomero M. , Vetter Irina , Robinson Samuel D. 
Published: September 2023

AbstractVoltage-gated sodium (NaV) channels are transmembrane proteins that play a critical role in electrical signaling in the nervous system and other excitable tissues. µ-Conotoxins are peptide toxins from the venoms of marine cone snails (genus Conus) that block NaV channels with nanomolar potency. Most species of the subgenera Textilia and Afonsoconus are difficult to acquire; therefore, their venoms have yet to be comprehensively interrogated for µ-conotoxins. The goal of this study was to find new µ-conotoxins from species of the subgenera Textilia and Afonsoconus and investigate their selectivity at human NaV channels. Using RNA-seq of the venom gland of Conus (Textilia) bullatus, we identified 12 µ-conotoxin (or µ-conotoxin-like) sequences. Based on these sequences we designed primers which we used to identify additional µ-conotoxin sequences from DNA extracted from historical specimens of species from Textilia and Afonsoconus. We synthesized six of these µ-conotoxins and tested their activity on human NaV1.1–NaV1.8. Five of the six synthetic peptides were potent blockers of human NaV channels. Of these, two peptides (BuIIIB and BuIIIE) were potent blockers of hNaV1.3. Three of the peptides (BuIIIB, BuIIIE and AdIIIA) had submicromolar activity at hNaV1.7. This study serves as an example of the identification of new peptide toxins from historical DNA and provides new insights into structure–activity relationships of µ-conotoxins with activity at hNaV1.3 and hNaV1.7.
Classes of Kernels and Continuity Properties of the Double Layer Potential in Hölder Spaces
Authors: Lanza de Cristoforis Massimo 
Published: September 2023

AbstractWe prove the validity of regularizing properties of the boundary integral operator corresponding to the double layer potential associated to the fundamental solution of anonhomogeneoussecond order elliptic differential operator with constant coefficients in Hölder spaces by exploiting an estimate on the maximal function of the tangential gradient with respect to the first variable of the kernel of the double layer potential and by exploiting specific imbedding and multiplication properties in certain classes of kernels of integral operators and a generalization of a result for integral operators on differentiable manifolds.
Synthesis, in silico, and evaluation of AChE inhibitory activity of N-phthaloylphenylglycine derivatives as potential anti-Alzheimer’s agents
Authors: Andrade-Jorge Erik , Reyes-Vallejo Natalia , Contreras-Cruz David A. , Rivera-Sánchez Fernando , Rodríguez Jessica E. , Lagos-Cruz Jesús A. , Villalobos-Molina Rafael , Gallardo-Ortíz Itzell A. , Reyes-Ramírez Adelfo 
Published: September 2023

AbstractMental illnesses are one of the most relevant health problems today, among which Alzheimer’s disease (AD) stands out. This is a severe disease that entails different alterations such as chronic cognitive impairment. Commercial therapy drugs have not had the expected success due to their notable and rapid pharmacological efficacy reduction, therefore, we aimed to find new compounds capable of stopping the progression of this disease by cholinesterase inhibition. We synthesized and evaluated nine new racemic compounds (two precursors and their corresponding pyrrolo[2,1-a]isoindol-5-ones with different substituents) derived from phenylglycine as potential acetylcholinesterase inhibitors. Three of them (rac-4, rac-5, and rac-6) showed good enzyme inhibition (Ki 117.5, 90.62, and 77.30 µM, respectively), with a pattern of competitive inhibition type supported by in silico and in vitro experiments, being the rac-6 derivative the best inhibitor. The structural analysis showed that the presence of the ethyl ester group in the structure favors inhibition, likewise, the presence of double bonds increases the affinity of the inhibitor for the enzyme, so these new pyrrolo[2,1-a]isoindol-5-ones derivatives might be helpful for the treatment of Alzheimer’s disease.
Bergman projection and BMO in hyperbolic metric: improvement of classical result
Authors: Peláez José Ángel , Rättyä Jouni 
Published: September 2023

AbstractThe Bergman projection $$P_\alpha $$

P
α

, induced by a standard radial weight, is bounded and onto from $$L^\infty $$

L
∞

to the Bloch space $$\mathcal {B}$$
B
. However, $$P_\alpha : L^\infty \rightarrow \mathcal {B}$$

P
α

:

L
∞

→
B

is not a projection. This fact can be emended via the boundedness of the operator $$P_\alpha :\textrm{BMO}_2(\Delta )\rightarrow \mathcal {B}$$

P
α

:

BMO
2

(
Δ
)

→
B

, where $$\textrm{BMO}_2(\Delta )$$

BMO
2

(
Δ
)

is the space of functions of bounded mean oscillation in the Bergman metric. We consider the Bergman projection $$P_\omega $$

P
ω

and the space $$\textrm{BMO}_{\omega ,p}(\Delta )$$

BMO

ω
,
p

(
Δ
)

of functions of bounded mean oscillation induced by $$1<p<\infty $$

1
<
p
<
∞

and a radial weight $$\omega \in \mathcal {M}$$

ω
∈
M

. Here $$\mathcal {M}$$
M
is a wide class of radial weights defined by means of moments of the weight, and it contains the standard and the exponential-type weights. We describe the weights such that $$P_\omega :\textrm{BMO}_{\omega ,p}(\Delta )\rightarrow \mathcal {B}$$

P
ω

:

BMO

ω
,
p

(
Δ
)

→
B

is bounded. They coincide with the weights for which $$P_\omega : L^\infty \rightarrow \mathcal {B}$$

P
ω

:

L
∞

→
B

is bounded and onto. This result seems to be new even for the standard radial weights when $$p\ne 2$$

p
≠
2

.
Implementation of a Smartphone‐Based Platform for Operative Feedback at Tenwek Hospital in Kenya: A Mixed Methods Study
Authors: Bidwell Serena S. , Gates Rebecca , Mwachiro Michael M. , Parker Andrea S. , Sylvester Kimutai , Sandhu Gurjit , George Brian C. , Kim Grace J. , Parker Robert K. 
Published: September 2023

AbstractBackgroundThe SIMPL operative feedback tool is used in many U.S. surgical residency programs. However, the challenges of implementation and benefits of the web‐based platform in low‐ and middle‐income countries are unknown. The aim of this study was to evaluate implementation of SIMPL in a general surgery residency training program in Kenya.MethodsSIMPL was pilot tested at Tenwek Hospital from January through December 2021. Participant perspectives of SIMPL were elicited through a survey and semi‐structured interviews. Descriptive statistics were used to analyze survey data. Inductive qualitative content analysis of interview responses was performed by two independent researchers.ResultsFourteen residents and six faculty (100% response rate) were included in the study and completed over 600 operative assessments. All respondents reported numerical evaluations and dictated feedback were useful. Respondents felt that SIMPL was easy to use, improved quality and frequency of feedback, helped refine surgical skills, and increased resident autonomy. Barriers to use included participants forgetting to complete evaluations, junior residents not submitting evaluations when minimally involved in cases, and technological challenges. Suggestions for improvement included expansion of SIMPL to surgical subspecialties and allowing senior residents to provide feedback to juniors. All respondents wanted to continue using SIMPL, and 90% recommended use at other programs.ConclusionResidents and faculty at Tenwek Hospital believed SIMPL were a positive addition to their training program. There were a few barriers to use and suggestions for improvement specific to the training environment in Kenya, but this study demonstrates it is feasible to use SIMPL in settings outside the U.S. with the appropriate resources.
CCDC50, an essential driver involved in tumorigenesis, is a potential severity marker of diffuse large B cell lymphoma
Authors: Gong Yuqi , Tong Hongyan , Yu Fang , Liu Qi , Huang Xianbo , Ren Guoping , Fan Zhongqin , Wang Zhe , Zhao Jing , Mao Zhengrong , Zhang Jing , Zhou Ren 
Published: September 2023

AbstractDiffuse Large B Cell Lymphoma (DLBCL) is the most common form of blood cancer. Among the subtypes, the activated B-cell (ABC) subtype is typically more aggressive and associated with worse outcomes. However, the underlying mechanisms are not fully understood. In this study, we performed microarray analysis to identify potential ABC-DLBCL-associated genes. We employed Kaplan–Meier methods and cox univariate analysis to explore the prognostic value of the identified candidate gene Coiled-coil domain containing 50 (CCDC50). Additionally, we used DLBCL cell lines and mouse models to explore the functions and mechanisms of CCDC50. Finally, we isolated CCDC50-bearing exosomes from clinical patients to study the correlation between these exosomes and disease severity. Our results demonstrated that CCDC50 not only showed significantly positive correlations with ABC subtype, tumor stage and number of extranodal sites, but also suggested poor outcomes in DLBCL patients. We further found that CCDC50 promoted ABC-DLBCL proliferation in vitro and in vivo. Mechanistically, CCDC50 inhibited ubiquitination-mediated c-Myc degradation by stimulating the PI3K/AKT/GSK-3β pathway. Moreover, CCDC50 expression was positively correlated with c-Myc at protein levels in DLBCL patients. Additionally, in two clinical cohorts, the plasma CCDC50-positive exosomes differentiated DLBCL subtypes robustly (AUC > 0.80) and predicted disease severity effectively (p < 0.05). Our findings suggest that CCDC50 likely drives disease progression in ABC-DLBCL patients, and the CCDC50-bearing exosome holds great potential as a non-invasive biomarker for subtype diagnosis and prognosis prediction of DLBCL patients.