bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pep–Whisperer: Inhibitory peptide design
Authors: Hurwitz Naama , Zaidman Daniel , Wolfson Haim J. 
Published: May 2022

AbstractDesigning peptides for protein–protein interaction inhibition is of significant interest in computer‐aided drug design. Such inhibitory peptides could mimic and compete with the binding of the partner protein to the inhibition target. Experimental peptide design is a laborious, time consuming, and expensive multi‐step process. Therefore, in silico peptide design can be beneficial for achieving this task. We present a novel algorithm, Pep–Whisperer, which aims to design inhibitory peptides for protein–protein interaction. The desirable peptides would have a relatively high predicted binding affinity to the target protein in a given protein–protein complex. The algorithm outputs linear peptides which are based on an initial template. The template could either be a peptide which is retrieved from the interaction site, or a patch of nonconsecutive amino acids from the protein–protein interface which is completed to a linear peptide by short polyalanine linkers. In addition, the algorithm takes into consideration the conservation of the amino acids in the ligand‐protein binding site by using evolutionary information for choosing the preferred amino acids in each position of the designed peptide. Our algorithm was able to design peptides with high predicted binding affinity to the target protein. The method is fully automated and available as a web server at http://bioinfo3d.cs.tau.ac.il/PepWhisperer/.
Modelling push‐pull management of pest insects using repellents and attractive traps in fruit tree orchards
Authors: Byers John A. , Levi‐Zada Anat 
Published: May 2022

AbstractBACKGROUNDPush‐pull with semiochemicals in pest management uses repellents to reduce response of pests to food‐mate resources (push) and attractive traps to reduce populations (pull). Simulation models of push‐pull can aid understanding of plant‐insect interactions in nature and suggest hypotheses for field tests that improve management. A previous model indicated advantages of push‐pull for controlling ambrosia beetle, Euwallacea fornicatus, pest of avocado trees. However, the simulated behavior of repellency was inconsistent with field observations.RESULTSWe simulated individual‐based movement of insects in push‐pull to reveal relationships between parameters of radii (strength) of attractive traps, pest aggregations, and repellents with densities of each in an avocado orchard to visualize and understand the interactions and significance. Simulations indicated placement of traps along a 1‐ha area periphery as a barrier resulted in similar trapping and mating as when traps were in a grid, either when insects originated randomly inside the plot or came from outside the plot. However, when insects originated from outside, both arrangements caught slightly more than when insects originated within the plot.CONCLUSIONThere were no differences in capture rates whether traps were spaced in a barrier along the plot's periphery or in a grid covering the plot. Push‐pull was more effective than pull (mass trapping) alone. Repellent behavior of individuals when encountering a repellent radius was modelled by approximate 90° turns (right or left at random) when about to enter an infestation, consistent with earlier observations of effects of repellents on bark beetles orienting to aggregation pheromone. © 2022 Society of Chemical Industry.
Reliability maximization of a load‐sharing system without redundant components
Authors: Kim Kyungmee O. , Park Seongjun , Hong Yujin 
Published: May 2022

AbstractThis paper considers a problem of determining the optimal number of components for maximizing reliability of a load‐sharing series system in which no redundant components exist. Previously, this problem has been studied numerically, under the assumption that the load–life relationship is described by a power function, and the component follows an exponential or a Weibull lifetime distribution. In this paper, our objective is to obtain analytical results for the optimal number of components given that a general link function explains a load–life relationship and the component follows a general lifetime distribution. We show that the optimal number of components non‐decreases with the elasticity of the link function and the ratio of the component failures sensitive to the changing design load. We also show that the premature failures occurring early in the life of a component affect the optimal solution, depending on whether a link function is used for scaling the nominal failure rate independently of the mission time, or it is used for scaling the nominal life dependently with the mission time. We believe that the result is useful in selecting the number of the components to use in a system when studying design trade‐offs at an early design stage.
An intergenerational competency framework: Competencies for knowledge sustainability and start‐up development in the digital age
Authors: Nurhas Irawan , Geisler Stefan , Pawlowski Jan 
Published: May 2022

AbstractIn this study, we looked at the competencies and changes in the competency spectrum required for global start‐ups in the digital age. Specifically, we explored intergenerational collaboration as an intervention in which experienced business‐people from senior adult groups support young entrepreneurs. We conducted a Delphi study with 20 experts from different disciplines, considering the study context. The results of this study shed light on understanding the necessary competencies of entrepreneurs for intergenerationally supported start‐up innovation by providing 27 competencies categorized as follows: intergenerational safety facilitation, cultural awareness, virtues for growth, effectual creativity, technical expertise, responsive teamwork, values‐based organization, and sustainable network development. In addition, the study results also reveal the competency priorities and the minimum requirements for each competency group based on the global innovation process and can be used to develop a readiness assessment for start‐up entrepreneurs.
Integrating Covalent Organic Framework with Transition Metal Phosphide for Noble‐Metal‐Free Visible‐Light‐Driven Photocatalytic H2 Evolution
Authors: Yan Ge , Sun Xiaodong , Zhang Kailai , Zhang Yu , Li Hui , Dou Yuhai , Yuan Ding , Huang Hongwei , Jia Baohua , Li Hao , Ma Tianyi 
Published: May 2022

Abstract2D covalent organic frameworks (COFs) are considered as one kind of the most promising crystalline porous materials for solar‐driven hydrogen production. However, adding noble metal co‐catalysts into the COFs‐based photocatalytic system is always indispensable. Herein, through a simple solvothermal synthesis method, TpPa‐1‐COF, a typical 2D COF, which displays a wide light absorption region, is rationally combined with transition metal phosphides (TMPs) to fabricate three TMPs/TpPa‐1‐COF hybrid materials, named Ni12P5 (Ni2P or CoP)/TpPa‐1‐COF. The incorporated TMPs can be served as electron collectors for accelerating the transfer of charges on TpPa‐1‐COF, thus the composites are demonstrated to be efficient photocatalysts for promoting water splitting. Benefitting from the richer surface reactive sites and lower H* formation energy barrier, the Ni12P5 can most effectively improve the photocatalytic performance of the TpPa‐1‐COF, and the H2 evolution rate can reach up to 31.6 µmol h−1, approximately 19 times greater than pristine TpPa‐1‐COF (1.65 µmol h−1), and is comparable to the Pt/TpPa‐1‐COF (38.8 µmol h−1). This work is the first example of combining COFs with TMPs to construct efficient photocatalysts, which may offer new insight for constructing noble‐metal‐free COF‐based photocatalysts.
On the utilization of non‐quality assessed literature in software engineering research
Authors: Yasin Affan , Fatima Rubia , Liu Lin , Ali Khan Javed , Ali Raian , Wang Jianmin 
Published: May 2022

AbstractQuality of research and knowledge sources can be a critical factor to judge the quality of the research citing them. The prevailing online dissemination of research via blogs, websites, experience reports, and white papers can be helpful as it minimizes potential publication biases. In this paper, we have (i) identified the body of software engineering (SE) literature that is non‐indexed by Web‐of‐Science but has been used in published SE systematic literature review (SLR) studies (as primary studies); (ii) proposed a checklist‐based method for quality assessment of non‐indexed and grey literature; (iii) empirically evaluated the effectiveness of the proposed method; (iv) searched primary studies retrieved from the SLRs in DBLP and Google Scholar (GS) to verify whether DBLP or Google Scholar can act as viable options to search for non‐indexed Web‐of‐Science (non‐WOS‐indexed) literature. Besides proposing our synthesized checklist method, we found that (i) SE literature reviews use significantly non‐indexed Web‐of‐Science sources; (ii) DBLP only covers a portion of the non‐WOS‐indexed reference, whereas GS has a more complete coverage of the non‐indexed reference in comparison. Preliminary evaluation of the proposed quality assessment point system‐based and checklist‐based methods shows it to be a viable way to assess quality of the non‐indexed and grey literature.
Type II Seesaw leptogenesis
Authors: Barrie Neil D. , Han Chengcheng , Murayama Hitoshi 
Published: May 2022

Abstract
The Type II Seesaw Mechanism provides a minimal framework to explain the neutrino masses involving the introduction of a single triplet Higgs to the Standard Model. However, this simple extension was believed to be unable to successfully explain the observed baryon asymmetry of the universe through Leptogenesis. In our previous work (Phys. Rev. Lett.128 (2022) 141801), we demonstrated that the triplet Higgs of the Type II Seesaw Mechanism alone can simultaneously generate the observed baryon asymmetry of the universe and the neutrino masses while playing a role in setting up Inflation. This is achievable with a triplet Higgs mass as low as 1 TeV, and predicts that the neutral component obtains a small vacuum expectation value v∆< 10 keV. We find that our model has very rich phenomenology and can be tested by various terrestrial experiments as well as by astronomical observations. Particularly, we show that the successful parameter region may be probed at a future 100 TeV collider, upcoming lepton flavor violation experiments such as Mu3e, and neutrinoless double beta decay experiments. Additionally, the tensor-to-scalar ratio from the inflationary scenario will be probed by the LiteBIRD telescope, and observable isocurvature perturbations may be produced for some parameter choices. In this article, we present all the technical details of our calculations and further discussion of its phenomenological implications.
Seiberg-Witten geometry, modular rational elliptic surfaces and BPS quivers
Authors: Magureanu Horia 
Published: May 2022

AbstractWe study the Coulomb branches of four-dimensional supersymmetric quantum field theories with$$ \mathcal{N} $$N= 2 supersymmetry, including the KK theories obtained from the circle compactification of the 5d$$ \mathcal{N} $$N= 1EnSeiberg theories, with particular focus on the relation between their Seiberg-Witten geometries and rational elliptic surfaces. More attention is given to the modular surfaces, which we completely classify using the classification of subgroups of the modular group PSL(2,ℤ), deriving closed-form expressions for the modular functions for all congruence and some of the non-congruence subgroups. Moreover, in such cases, we give a prescription for determining the BPS quivers from the fundamental domains of the monodromy groups and study how changes of these domains can be interpreted as quiver mutations. This prescription can be also generalized to theories whose Coulomb branches contain ‘undeformable’ singularities, leading to known quivers of such theories.
Mettl14 mediates the inflammatory response of macrophages in atherosclerosis through the NF-κB/IL-6 signaling pathway
Authors: Zheng Yang , Li Yunqi , Ran Xianwen , Wang Di , Zheng Xianghui , Zhang Maomao , Yu Bo , Sun Yong , Wu Jian 
Published: May 2022

AbstractThe inflammatory response of macrophages has been reported to play a critical role in atherosclerosis. The inflammatory state of macrophages is modified by epigenetic reprogramming. m6A RNA methylation is an epigenetic modification of RNAs. However, little is known about the potential roles and underlying mechanisms of m6A modification in macrophage inflammation. Herein, we showed that the expression of the m6A modification “writer” Mettl14 was increased in coronary heart disease and LPS-stimulated THP-1 cells. Knockdown of Mettl14 promoted M2 polarization of macrophages, inhibited foam cell formation and decreased migration. Mechanistically, the expression of Myd88 and IL-6 was decreased in Mettl14 knockdown cells. Through m6A modification, Mettl14 regulated the stability of Myd88 mRNA. Furthermore, Myd88 affected the transcription of IL-6 via the distribution of p65 in nuclei rather than directly regulating the expression of IL-6 through m6A modification. In vivo, Mettl14 gene knockout significantly reduced the inflammatory response of macrophages and the development of atherosclerotic plaques. Taken together, our data demonstrate that Mettl14 plays a vital role in macrophage inflammation in atherosclerosis via the NF-κB/IL-6 signaling pathway, suggesting that Mettl14 may be a promising therapeutic target for the clinical treatment of atherosclerosis.
Monocentric evaluation of Ki-67 labeling index in combination with a modified RPA score as a prognostic factor for survival in IDH-wildtype glioblastoma patients treated with radiochemotherapy
Authors: Dumke R. , Dumke C. , Eberle F. , Nimsky Ch. , Keber U. , Engenhart-Cabillic R. , Lautenschläger S. 
Published: May 2022

Abstract
Purpose
The prognosis for glioblastoma patients remains dismal despite intensive research on better treatment options. Molecular and immunohistochemical markers are increasingly being investigated as understanding of their role in disease progression grows. O(6)-methylguanine-DNA methyltransferase (MGMT) promoter methylation has been shown to have prognostic and therapeutic relevance for glioblastoma patients. Other markers implicated in tumor formation and/or malignancy are p53, Alpha thalassemia/mental retardation syndrome X-linked (ATRX), Epidermal Growth Factor Receptor splice variant III (EGFRvIII), and Ki-67, with loss of nuclear ATRX expression and lower Ki-67 index being associated with prolonged survival. For p53 and EGFRvIII the data are contradictory. Our aim was to investigate the markers mentioned above regarding progression-free (PFS) and overall survival (OS) to evaluate their viability as independent prognostic markers for our patient collective.

Methods
In this retrospective study, we collected data on patients undergoing radiotherapy due to isocitrate dehydrogenase (IDH) wildtype glioblastoma at a single university hospital between 2014 and 2020.

Results
Our findings confirm Ki-67 labeling index ≤ 20% as an independent prognostic factor for prolonged PFS as well as MGMT promoter methylation for both prolonged PFS and OS, in consideration of age and Eastern Cooperative Oncology Group (ECOG) status, chemotherapy treatment, and total radiation dose for PFS as well as additionally sex, resection status, and receipt of treatment for progression or recurrence for OS. Additionally, Ki-67 labeling index ≤ 20% showed a significant correlation with prolonged OS in univariate analysis. Modification of the recursive partitioning analysis (RPA) score to include Ki-67 labeling index resulted in a classification with the possible ability to distinguish long-term-survivors from patients with unfavorable prognosis.

Conclusion
MGMT promoter methylation and Ki-67 labeling index were independent predictors of survival in our collective. We see further studies pooling patient collectives to reach larger patient numbers concerning Ki-67 labeling index as being warranted.
Utilising Electronic PROMs to Measure a Change in Health Following Elective Laparoscopic Cholecystectomy: A Feasibility Study
Authors: Daliya Prita , Lobo Dileep N. , Parsons Simon L. 
Published: May 2022

AbstractBackgroundThe collection of patient‐reported outcome measures (PROMs) has many benefits for clinical practice. However, there are many barriers that prevent them from becoming a part of routine clinical care. The aim of this feasibility study was to pilot the use of a digital platform to facilitate the routine collection of pre‐ and post‐operative electronic PROMs (ePROMs) in participants undergoing elective laparoscopic cholecystectomy and to validate the use of existing patient‐reported outcomes for our population.MethodsParticipants scheduled for elective laparoscopic cholecystectomy were asked to complete digital versions of the Otago gallstones Condition‐Specific Questionnaire (CSQ), and the RAND 36‐item health survey (SF36). An assessment of methodological quality of ePROM questionnaires was also performed.ResultsPreoperative ePROMs were completed by 200 participants undergoing laparoscopic cholecystectomy. Post‐operatively attrition was high (completion at 30 days, 3 months, and 6months: n = 61, 54, and 38, respectively) due to difficulties accessing our ePROMs portal. Of those able to complete, a significant improvement in quality of life was seen across all health domains post‐operatively when compared with baseline preoperative values for both disease‐specific and generic PROMs. Methodological quality was assessed as good to excellent in both digital questionnaires.ConclusionThe collection of ePROMs is possible with current technological advances. Although it may be an acceptable, and convenient process for patients, and a useful measure of quality‐of‐life trends for clinicians, further developmental work is necessary to improve accessibility for patients, improve compliance, and reduce reporting bias from high attrition rates.
Quantitative normal values of helical flow, flow jets and wall shear stress of healthy volunteers in the ascending aorta
Authors: Ebel Sebastian , Kühn Alexander , Aggarwal Abhinav , Köhler Benjamin , Behrendt Benjamin , Gohmann Robin , Riekena Boris , Lücke Christian , Ziegert Juliane , Vogtmann Charlotte , Preim Bernhard , Kropf Siegfried , Jung Bernd , Denecke Timm , Grothoff Matthias , Gutberlet Matthias 
Published: May 2022

Abstract
Objectives
4D flow MRI enables quantitative assessment of helical flow. We sought to generate normal values and elucidate changes of helical flow (duration, volume, length, velocities and rotational direction) and flow jet (displacement, flow angle) as well as wall shear stress (WSS).

Methods
We assessed the temporal helical existence (THEX), maximum helical volume (HVmax), accumulated helical volume (HVacc), accumulated helical volume length (HVLacc), maximum forward velocity (maxVfor), maximum circumferential velocity (maxVcirc), rotational direction (RD) and maximum wall shear stress (WSS) as reported elsewhere using the software tool Bloodline in 86 healthy volunteers (46 females, mean age 41 ± 13 years).

Results
WSS decreased by 42.1% and maxVfor by 55.7% across age. There was no link between age and gender regarding the other parameters.

Conclusion
This study provides age-dependent normal values regarding WSS and maxVfor and age- and gender-independent normal values regarding THEX, HVmax, HVacc, HVLacc, RD and maxVcirc.

Key Points
• 4D flow provides numerous new parameters; therefore, normal values are mandatory.
• Wall shear stress decreases over age.
• Maximum helical forward velocity decreases over age.
Applying generalized funnel plots to help design statistical analyses
Authors: Aisbett Janet , Drinkwater Eric J. , Quarrie Kenneth L. , Woodcock Stephen 
Published: May 2022

AbstractResearchers across many fields routinely analyze trial data using Null Hypothesis Significance Tests with zero null and p < 0.05. To promote thoughtful statistical testing, we propose a visualization tool that highlights practically meaningful effects when calculating sample sizes. The tool re-purposes and adapts funnel plots, originally developed for meta-analyses, after generalizing them to cater for meaningful effects. As with traditional sample size calculators, researchers must nominate anticipated effect sizes and variability alongside the desired power. The advantage of our tool is that it simultaneously presents sample sizes needed to adequately power tests for equivalence, for non-inferiority and for superiority, each considered at up to three alpha levels and in positive and negative directions. The tool thus encourages researchers at the design stage to think about the type and level of test in terms of their research goals, costs of errors, meaningful effect sizes and feasible sample sizes. An R-implementation of the tool is available on-line.
Kokain-induzierte Vaskulitiden und Vaskulitis-Mimics
Authors: Ruffer Nikolas , Krusche Martin , Holl-Ulrich Konstanze , Kötter Ina , Lötscher Fabian 
Published: May 2022

ZusammenfassungKokain ist ein psychoaktives Tropanalkaloid, das typischerweise in Form von Pulver nasal konsumiert wird. Das in Deutschland im Umlauf befindliche Kokain ist häufig mit Levamisol, einem Anthelminthikum mit immunmodulatorischer Wirkung, versetzt. Sowohl Kokain als auch Levamisol werden mit der Entwicklung von klinisch bedeutsamen Autoimmunphänomenen in Verbindung gebracht. Bei den sog. „cocaine-induced midline destructive lesions“ handelt es sich um Gewebedestruktionen des HNO-Traktes, die eine lokalisierte Granulomatose mit Polyangiitis imitieren können. Zusätzlich wurde auch die Entwicklung einer systemischen Vaskulitis durch Kokain und Levamisol beschrieben. Die Unterscheidung dieser Syndrome von einer primären Vaskulitis stellt häufig eine klinische Herausforderung dar, da immunserologisch in den meisten Fällen antineutrophile zytoplasmatische Antikörper (ANCA) nachweisbar sind. Die klinische Besserung ist eng mit der Beendigung des Substanzkonsums verknüpft, deshalb kommt der frühzeitigen Diagnosestellung eine besondere Bedeutung zu.
Effects of neuraxial analgesia technique on labor and maternal–fetal outcomes: a retrospective study
Authors: Lazzari Cecilia , Raffaelli Ricciarda , D’Alessandro Roberto , Simonetto Chiara , Bosco Mariachiara , Zorzato Pier Carlo , Uccella Stefano , Taddei Fabrizio , Franchi Massimo , Garzon Simone 
Published: May 2022

Abstract
Purpose
To compare the effects of epidural analgesia (EA) and combined spinal epidural analgesia (SEA) on labor and maternal–fetal outcomes.

Methods
We retrospectively identified and included 1499 patients with a single cephalic fetus who delivered at the study center from January 2015 to December 2018 and received neuraxial analgesia at the beginning of the active phase of labor (presence of regular painful contractions and cervical dilatation between 4 and 6 cm). Data including analgesia, labor characteristics, and maternal–fetal outcomes were retrieved from the prospectively collected delivery room database and medical records.

Results
SEA was associated with a shorter first stage of labor than EA, with a median difference of 60 min. On multivariable ordinal logistic regression analysis, neuraxial analgesia, gestational age, fetal weight, labor induction, and parity were independently associated with the first stage length: patients in the EA group were 1.32 times more likely to have a longer first stage of labor (95% CI 1.06–1.64, p = 0.012) than those in the SEA group. Additionally, a significantly lower incidence of fundal pressure was performed among patients who underwent SEA (OR 0.55, 95% CI 0.34–0.9, p = 0.017). No associations were observed between the used neuraxial analgesia technique and other outcomes.

Conclusions
SEA was associated with a shorter length of the first stage of labor and a lower rate of fundal pressure use than EA. Further studies confirming the effects of SEA on labor management and clarifying differences in maternal–fetal outcomes will allow concluding about the superiority of one technique upon the other.